1
2
3
4
5 """Symmetry operations as functions on vectors or arrays.
6 """
7 try:
8 import numpy
9 except ImportError:
10 import NumericCompat as numpy
11 import ConsoleOutput
12
13
14 Rot_Z_mY_X = numpy.array([[ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0]], float)
15 Rot_Y_mX_mZ = numpy.array([[ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float)
16 Rot_XmY_X_mZ = numpy.array([[ 1.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float)
17 Rot_mX_Y_mZ = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
18 Rot_X_mZ_Y = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0]], float)
19 Rot_Y_mXY_Z = numpy.array([[ 0.0, 1.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
20 Rot_Y_mX_Z = numpy.array([[ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float)
21 Rot_XmY_X_Z = numpy.array([[ 1.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float)
22 Rot_mX_mXY_mZ = numpy.array([[-1.0, 0.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
23 Rot_Y_Z_X = numpy.array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0]], float)
24 Rot_mY_mZ_X = numpy.array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0]], float)
25 Rot_X_Z_mY = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0]], float)
26 Rot_XmY_mY_Z = numpy.array([[ 1.0,-1.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
27 Rot_Y_X_mZ = numpy.array([[ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float)
28 Rot_Y_mZ_X = numpy.array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0]], float)
29 Rot_mXY_Y_Z = numpy.array([[-1.0, 1.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
30 Rot_mX_mY_mZ = numpy.array([[-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
31 Rot_X_Y_mZ = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
32 Rot_mXY_mX_Z = numpy.array([[-1.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float)
33 Rot_mZ_mY_mX = numpy.array([[ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0]], float)
34 Rot_X_mZ_mY = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0]], float)
35 Rot_X_Y_Z = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
36 Rot_mY_mX_mZ = numpy.array([[ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float)
37 Rot_mY_X_Z = numpy.array([[ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float)
38 Rot_Z_X_Y = numpy.array([[ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]], float)
39 Rot_X_XmY_Z = numpy.array([[ 1.0, 0.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
40 Rot_mY_X_mZ = numpy.array([[ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float)
41 Rot_mY_Z_mX = numpy.array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0]], float)
42 Rot_mY_Z_X = numpy.array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0]], float)
43 Rot_mX_mZ_mY = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0]], float)
44 Rot_mX_Z_Y = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0]], float)
45 Rot_mZ_mX_mY = numpy.array([[ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]], float)
46 Rot_X_XmY_mZ = numpy.array([[ 1.0, 0.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
47 Rot_mY_XmY_mZ = numpy.array([[ 0.0,-1.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
48 Rot_Z_X_mY = numpy.array([[ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]], float)
49 Rot_mZ_mY_X = numpy.array([[ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0]], float)
50 Rot_X_Z_Y = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0]], float)
51 Rot_Z_mX_mY = numpy.array([[ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]], float)
52 Rot_mX_Z_mY = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0]], float)
53 Rot_X_mY_Z = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
54 Rot_mY_mX_Z = numpy.array([[ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float)
55 Rot_Z_mY_mX = numpy.array([[ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0]], float)
56 Rot_mX_mY_Z = numpy.array([[-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
57 Rot_Z_Y_X = numpy.array([[ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0]], float)
58 Rot_mZ_Y_mX = numpy.array([[ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0]], float)
59 Rot_Y_Z_mX = numpy.array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0]], float)
60 Rot_mY_XmY_Z = numpy.array([[ 0.0,-1.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
61 Rot_mXY_Y_mZ = numpy.array([[-1.0, 1.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
62 Rot_mZ_mX_Y = numpy.array([[ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]], float)
63 Rot_mX_mZ_Y = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0]], float)
64 Rot_mX_Y_Z = numpy.array([[-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
65 Rot_X_mY_mZ = numpy.array([[ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
66 Rot_mZ_X_Y = numpy.array([[ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]], float)
67 Rot_Y_mZ_mX = numpy.array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0]], float)
68 Rot_mY_mZ_mX = numpy.array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0]], float)
69 Rot_mZ_Y_X = numpy.array([[ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0]], float)
70 Rot_Z_Y_mX = numpy.array([[ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0]], float)
71 Rot_mXY_mX_mZ = numpy.array([[-1.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]], float)
72 Rot_XmY_mY_mZ = numpy.array([[ 1.0,-1.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
73 Rot_Z_mX_Y = numpy.array([[ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]], float)
74 Rot_mX_mXY_Z = numpy.array([[-1.0, 0.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]], float)
75 Rot_Y_mXY_mZ = numpy.array([[ 0.0, 1.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]], float)
76 Rot_mZ_X_mY = numpy.array([[ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]], float)
77 Rot_Y_X_Z = numpy.array([[ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]], float)
78
79
80 Tr_0_0_34 = numpy.array([ 0.0, 0.0, 3.0/4.0 ], float)
81 Tr_12_0_34 = numpy.array([ 1.0/2.0, 0.0, 3.0/4.0 ], float)
82 Tr_0_0_56 = numpy.array([ 0.0, 0.0, 5.0/6.0 ], float)
83 Tr_12_0_12 = numpy.array([ 1.0/2.0, 0.0, 1.0/2.0 ], float)
84 Tr_0_12_12 = numpy.array([ 0.0, 1.0/2.0, 1.0/2.0 ], float)
85 Tr_12_0_14 = numpy.array([ 1.0/2.0, 0.0, 1.0/4.0 ], float)
86 Tr_0_12_14 = numpy.array([ 0.0, 1.0/2.0, 1.0/4.0 ], float)
87 Tr_14_14_14 = numpy.array([ 1.0/4.0, 1.0/4.0, 1.0/4.0 ], float)
88 Tr_0_12_34 = numpy.array([ 0.0, 1.0/2.0, 3.0/4.0 ], float)
89 Tr_34_14_14 = numpy.array([ 3.0/4.0, 1.0/4.0, 1.0/4.0 ], float)
90 Tr_0_0_0 = numpy.array([ 0.0, 0.0, 0.0 ], float)
91 Tr_23_13_56 = numpy.array([ 2.0/3.0, 1.0/3.0, 5.0/6.0 ], float)
92 Tr_14_14_34 = numpy.array([ 1.0/4.0, 1.0/4.0, 3.0/4.0 ], float)
93 Tr_12_12_0 = numpy.array([ 1.0/2.0, 1.0/2.0, 0.0 ], float)
94 Tr_23_13_13 = numpy.array([ 2.0/3.0, 1.0/3.0, 1.0/3.0 ], float)
95 Tr_13_23_23 = numpy.array([ 1.0/3.0, 2.0/3.0, 2.0/3.0 ], float)
96 Tr_12_12_12 = numpy.array([ 1.0/2.0, 1.0/2.0, 1.0/2.0 ], float)
97 Tr_12_12_14 = numpy.array([ 1.0/2.0, 1.0/2.0, 1.0/4.0 ], float)
98 Tr_14_34_14 = numpy.array([ 1.0/4.0, 3.0/4.0, 1.0/4.0 ], float)
99 Tr_12_12_34 = numpy.array([ 1.0/2.0, 1.0/2.0, 3.0/4.0 ], float)
100 Tr_0_0_23 = numpy.array([ 0.0, 0.0, 2.0/3.0 ], float)
101 Tr_0_12_0 = numpy.array([ 0.0, 1.0/2.0, 0.0 ], float)
102 Tr_14_34_34 = numpy.array([ 1.0/4.0, 3.0/4.0, 3.0/4.0 ], float)
103 Tr_34_34_14 = numpy.array([ 3.0/4.0, 3.0/4.0, 1.0/4.0 ], float)
104 Tr_12_0_0 = numpy.array([ 1.0/2.0, 0.0, 0.0 ], float)
105 Tr_34_34_34 = numpy.array([ 3.0/4.0, 3.0/4.0, 3.0/4.0 ], float)
106 Tr_0_0_13 = numpy.array([ 0.0, 0.0, 1.0/3.0 ], float)
107 Tr_0_0_12 = numpy.array([ 0.0, 0.0, 1.0/2.0 ], float)
108 Tr_13_23_16 = numpy.array([ 1.0/3.0, 2.0/3.0, 1.0/6.0 ], float)
109 Tr_0_0_14 = numpy.array([ 0.0, 0.0, 1.0/4.0 ], float)
110 Tr_0_0_16 = numpy.array([ 0.0, 0.0, 1.0/6.0 ], float)
111 Tr_34_14_34 = numpy.array([ 3.0/4.0, 1.0/4.0, 3.0/4.0 ], float)
112
113
115 """A subclass of the tuple class for performing one symmetry operation.
116 """
118 self.R = R
119 self.t = t
120
122 x = "[%6.3f %6.3f %6.3f %6.3f]\n" % (
123 self.R[0,0], self.R[0,1], self.R[0,2], self.t[0])
124 x += "[%6.3f %6.3f %6.3f %6.3f]\n" % (
125 self.R[1,0], self.R[1,1], self.R[1,2], self.t[1])
126 x += "[%6.3f %6.3f %6.3f %6.3f]\n" % (
127 self.R[2,0], self.R[2,1], self.R[2,2], self.t[2])
128 return x
129
131 """Return the symmetry operation on argument vector and.
132 """
133 return numpy.dot(self.R, vec) + self.t
134
136 return numpy.allclose(self.R, symop[0]) and numpy.allclose(self.t, symop[1])
137
139 """Returns True if this SymOp is an identity symmetry operation
140 (no rotation, no translation), otherwise returns False.
141 """
142 if numpy.allclose(self.R, numpy.identity(3, float)) and \
143 numpy.allclose(self.t, numpy.zeros(3, float)):
144 return True
145
146
148 """Contains the various names and symmetry operations for one space
149 group.
150 """
151 - def __init__(self,
152 number = None,
153 num_sym_equiv = None,
154 num_primitive_sym_equiv = None,
155 short_name = None,
156 point_group_name = None,
157 crystal_system = None,
158 pdb_name = None,
159 symop_list = None):
160
161 self.number = number
162 self.num_sym_equiv = num_sym_equiv
163 self.num_primitive_sym_equiv = num_primitive_sym_equiv
164 self.short_name = short_name
165 self.point_group_name = point_group_name
166 self.crystal_system = crystal_system
167 self.pdb_name = pdb_name
168 self.symop_list = symop_list
169
171 """Iterates over all SymOps in the SpaceGroup.
172 """
173 return iter(self.symop_list)
174
176 """Checks if the given name is a name for this space group, returns
177 True or False. The space group name can be in several forms:
178 the short name, the longer PDB-style name, or the space group number.
179 """
180 if name == self.short_name: return True
181 if name == self.pdb_name: return True
182 if name == self.point_group_name: return True
183 if name == self.number: return True
184 return False
185
187 """Iterate the symmetry equivalent positions of the argument vector.
188 The vector must already be in fractional coordinates, and the symmetry
189 equivalent vectors are also in fractional coordinates.
190 """
191 for symop in self.symop_list:
192 yield symop(vec)
193
194
195
196 sg1 = SpaceGroup(
197 number = 1,
198 num_sym_equiv = 1,
199 num_primitive_sym_equiv = 1,
200 short_name = "P1",
201 point_group_name = "PG1",
202 crystal_system = "TRICLINIC",
203 pdb_name = "P 1",
204 symop_list = [
205 SymOp(Rot_X_Y_Z, Tr_0_0_0)])
206
207 sg2 = SpaceGroup(
208 number = 2,
209 num_sym_equiv = 2,
210 num_primitive_sym_equiv = 2,
211 short_name = "P-1",
212 point_group_name = "PG1bar",
213 crystal_system = "TRICLINIC",
214 pdb_name = "P -1",
215 symop_list = [
216 SymOp(Rot_X_Y_Z, Tr_0_0_0),
217 SymOp(Rot_mX_mY_mZ, Tr_0_0_0)])
218
219 sg3 = SpaceGroup(
220 number = 3,
221 num_sym_equiv = 2,
222 num_primitive_sym_equiv = 2,
223 short_name = "P2",
224 point_group_name = "PG2",
225 crystal_system = "MONOCLINIC",
226 pdb_name = "P 1 2 1",
227 symop_list = [
228 SymOp(Rot_X_Y_Z, Tr_0_0_0),
229 SymOp(Rot_mX_Y_mZ, Tr_0_0_0)])
230
231 sg4 = SpaceGroup(
232 number = 4,
233 num_sym_equiv = 2,
234 num_primitive_sym_equiv = 2,
235 short_name = "P21",
236 point_group_name = "PG2",
237 crystal_system = "MONOCLINIC",
238 pdb_name = "P 1 21 1",
239 symop_list = [
240 SymOp(Rot_X_Y_Z, Tr_0_0_0),
241 SymOp(Rot_mX_Y_mZ, Tr_0_12_0)])
242
243 sg5 = SpaceGroup(
244 number = 5,
245 num_sym_equiv = 4,
246 num_primitive_sym_equiv = 2,
247 short_name = "C2",
248 point_group_name = "PG2",
249 crystal_system = "MONOCLINIC",
250 pdb_name = "C 1 2 1",
251 symop_list = [
252 SymOp(Rot_X_Y_Z, Tr_0_0_0),
253 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
254 SymOp(Rot_X_Y_Z, Tr_12_12_0),
255 SymOp(Rot_mX_Y_mZ, Tr_12_12_0)])
256
257 sg6 = SpaceGroup(
258 number = 6,
259 num_sym_equiv = 2,
260 num_primitive_sym_equiv = 2,
261 short_name = "Pm",
262 point_group_name = "PGm",
263 crystal_system = "MONOCLINIC",
264 pdb_name = "P 1 m 1",
265 symop_list = [
266 SymOp(Rot_X_Y_Z, Tr_0_0_0),
267 SymOp(Rot_X_mY_Z, Tr_0_0_0)])
268
269 sg7 = SpaceGroup(
270 number = 7,
271 num_sym_equiv = 2,
272 num_primitive_sym_equiv = 2,
273 short_name = "Pc",
274 point_group_name = "PGm",
275 crystal_system = "MONOCLINIC",
276 pdb_name = "P 1 c 1",
277 symop_list = [
278 SymOp(Rot_X_Y_Z, Tr_0_0_0),
279 SymOp(Rot_X_mY_Z, Tr_0_0_12)])
280
281 sg8 = SpaceGroup(
282 number = 8,
283 num_sym_equiv = 4,
284 num_primitive_sym_equiv = 2,
285 short_name = "Cm",
286 point_group_name = "PGm",
287 crystal_system = "MONOCLINIC",
288 pdb_name = "C 1 m 1",
289 symop_list = [
290 SymOp(Rot_X_Y_Z, Tr_0_0_0),
291 SymOp(Rot_X_mY_Z, Tr_0_0_0),
292 SymOp(Rot_X_Y_Z, Tr_12_12_0),
293 SymOp(Rot_X_mY_Z, Tr_12_12_0)])
294
295 sg9 = SpaceGroup(
296 number = 9,
297 num_sym_equiv = 4,
298 num_primitive_sym_equiv = 2,
299 short_name = "Cc",
300 point_group_name = "PGm",
301 crystal_system = "MONOCLINIC",
302 pdb_name = "C 1 c 1",
303 symop_list = [
304 SymOp(Rot_X_Y_Z, Tr_0_0_0),
305 SymOp(Rot_X_mY_Z, Tr_0_0_12),
306 SymOp(Rot_X_Y_Z, Tr_12_12_0),
307 SymOp(Rot_X_mY_Z, Tr_12_12_12)])
308
309 sg10 = SpaceGroup(
310 number = 10,
311 num_sym_equiv = 4,
312 num_primitive_sym_equiv = 4,
313 short_name = "P2/m",
314 point_group_name = "PG2/m",
315 crystal_system = "MONOCLINIC",
316 pdb_name = "P 1 2/m 1",
317 symop_list = [
318 SymOp(Rot_X_Y_Z, Tr_0_0_0),
319 SymOp(Rot_X_mY_Z, Tr_0_0_0),
320 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
321 SymOp(Rot_mX_mY_mZ, Tr_0_0_0)])
322
323 sg11 = SpaceGroup(
324 number = 11,
325 num_sym_equiv = 4,
326 num_primitive_sym_equiv = 4,
327 short_name = "P21/m",
328 point_group_name = "PG2/m",
329 crystal_system = "MONOCLINIC",
330 pdb_name = "P 1 21/m 1",
331 symop_list = [
332 SymOp(Rot_X_Y_Z, Tr_0_0_0),
333 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
334 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
335 SymOp(Rot_X_mY_Z, Tr_0_12_0)])
336
337 sg12 = SpaceGroup(
338 number = 12,
339 num_sym_equiv = 8,
340 num_primitive_sym_equiv = 4,
341 short_name = "C2/m",
342 point_group_name = "PG2/m",
343 crystal_system = "MONOCLINIC",
344 pdb_name = "C 1 2/m 1",
345 symop_list = [
346 SymOp(Rot_X_Y_Z, Tr_0_0_0),
347 SymOp(Rot_X_mY_Z, Tr_0_0_0),
348 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
349 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
350 SymOp(Rot_X_Y_Z, Tr_12_12_0),
351 SymOp(Rot_X_mY_Z, Tr_12_12_0),
352 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
353 SymOp(Rot_mX_mY_mZ, Tr_12_12_0)])
354
355 sg13 = SpaceGroup(
356 number = 13,
357 num_sym_equiv = 4,
358 num_primitive_sym_equiv = 4,
359 short_name = "P2/c",
360 point_group_name = "PG2/m",
361 crystal_system = "MONOCLINIC",
362 pdb_name = "P 1 2/c 1",
363 symop_list = [
364 SymOp(Rot_X_Y_Z, Tr_0_0_0),
365 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
366 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
367 SymOp(Rot_X_mY_Z, Tr_0_0_12)])
368
369 sg14 = SpaceGroup(
370 number = 14,
371 num_sym_equiv = 4,
372 num_primitive_sym_equiv = 4,
373 short_name = "P21/c",
374 point_group_name = "PG2/m",
375 crystal_system = "MONOCLINIC",
376 pdb_name = "P 1 21/c 1",
377 symop_list = [
378 SymOp(Rot_X_Y_Z, Tr_0_0_0),
379 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
380 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
381 SymOp(Rot_X_mY_Z, Tr_0_12_12)])
382
383 sg15 = SpaceGroup(
384 number = 15,
385 num_sym_equiv = 8,
386 num_primitive_sym_equiv = 4,
387 short_name = "C2/c",
388 point_group_name = "PG2/m",
389 crystal_system = "MONOCLINIC",
390 pdb_name = "C 1 2/c 1",
391 symop_list = [
392 SymOp(Rot_X_Y_Z, Tr_0_0_0),
393 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
394 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
395 SymOp(Rot_X_mY_Z, Tr_0_0_12),
396 SymOp(Rot_X_Y_Z, Tr_12_12_0),
397 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
398 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
399 SymOp(Rot_X_mY_Z, Tr_12_12_12)])
400
401 sg16 = SpaceGroup(
402 number = 16,
403 num_sym_equiv = 4,
404 num_primitive_sym_equiv = 4,
405 short_name = "P222",
406 point_group_name = "PG222",
407 crystal_system = "ORTHORHOMBIC",
408 pdb_name = "P 2 2 2",
409 symop_list = [
410 SymOp(Rot_X_Y_Z, Tr_0_0_0),
411 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
412 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
413 SymOp(Rot_X_mY_mZ, Tr_0_0_0)])
414
415 sg17 = SpaceGroup(
416 number = 17,
417 num_sym_equiv = 4,
418 num_primitive_sym_equiv = 4,
419 short_name = "P2221",
420 point_group_name = "PG222",
421 crystal_system = "ORTHORHOMBIC",
422 pdb_name = "P 2 2 21",
423 symop_list = [
424 SymOp(Rot_X_Y_Z, Tr_0_0_0),
425 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
426 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
427 SymOp(Rot_X_mY_mZ, Tr_0_0_0)])
428
429 sg18 = SpaceGroup(
430 number = 18,
431 num_sym_equiv = 4,
432 num_primitive_sym_equiv = 4,
433 short_name = "P21212",
434 point_group_name = "PG222",
435 crystal_system = "ORTHORHOMBIC",
436 pdb_name = "P 21 21 2",
437 symop_list = [
438 SymOp(Rot_X_Y_Z, Tr_0_0_0),
439 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
440 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
441 SymOp(Rot_X_mY_mZ, Tr_12_12_0)])
442
443 sg19 = SpaceGroup(
444 number = 19,
445 num_sym_equiv = 4,
446 num_primitive_sym_equiv = 4,
447 short_name = "P212121",
448 point_group_name = "PG222",
449 crystal_system = "ORTHORHOMBIC",
450 pdb_name = "P 21 21 21",
451 symop_list = [
452 SymOp(Rot_X_Y_Z, Tr_0_0_0),
453 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
454 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
455 SymOp(Rot_X_mY_mZ, Tr_12_12_0)])
456
457 sg20 = SpaceGroup(
458 number = 20,
459 num_sym_equiv = 8,
460 num_primitive_sym_equiv = 4,
461 short_name = "C2221",
462 point_group_name = "PG222",
463 crystal_system = "ORTHORHOMBIC",
464 pdb_name = "C 2 2 21",
465 symop_list = [
466 SymOp(Rot_X_Y_Z, Tr_0_0_0),
467 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
468 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
469 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
470 SymOp(Rot_X_Y_Z, Tr_12_12_0),
471 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
472 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
473 SymOp(Rot_X_mY_mZ, Tr_12_12_0)])
474
475 sg21 = SpaceGroup(
476 number = 21,
477 num_sym_equiv = 8,
478 num_primitive_sym_equiv = 4,
479 short_name = "C222",
480 point_group_name = "PG222",
481 crystal_system = "ORTHORHOMBIC",
482 pdb_name = "C 2 2 2",
483 symop_list = [
484 SymOp(Rot_X_Y_Z, Tr_0_0_0),
485 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
486 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
487 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
488 SymOp(Rot_X_Y_Z, Tr_12_12_0),
489 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
490 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
491 SymOp(Rot_X_mY_mZ, Tr_12_12_0)])
492
493 sg22 = SpaceGroup(
494 number = 22,
495 num_sym_equiv = 16,
496 num_primitive_sym_equiv = 4,
497 short_name = "F222",
498 point_group_name = "PG222",
499 crystal_system = "ORTHORHOMBIC",
500 pdb_name = "F 2 2 2",
501 symop_list = [
502 SymOp(Rot_X_Y_Z, Tr_0_0_0),
503 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
504 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
505 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
506 SymOp(Rot_X_Y_Z, Tr_0_12_12),
507 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
508 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
509 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
510 SymOp(Rot_X_Y_Z, Tr_12_0_12),
511 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
512 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
513 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
514 SymOp(Rot_X_Y_Z, Tr_12_12_0),
515 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
516 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
517 SymOp(Rot_X_mY_mZ, Tr_12_12_0)])
518
519 sg23 = SpaceGroup(
520 number = 23,
521 num_sym_equiv = 8,
522 num_primitive_sym_equiv = 4,
523 short_name = "I222",
524 point_group_name = "PG222",
525 crystal_system = "ORTHORHOMBIC",
526 pdb_name = "I 2 2 2",
527 symop_list = [
528 SymOp(Rot_X_Y_Z, Tr_0_0_0),
529 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
530 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
531 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
532 SymOp(Rot_X_Y_Z, Tr_12_12_12),
533 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
534 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
535 SymOp(Rot_mX_Y_mZ, Tr_12_12_12)])
536
537 sg24 = SpaceGroup(
538 number = 24,
539 num_sym_equiv = 8,
540 num_primitive_sym_equiv = 4,
541 short_name = "I212121",
542 point_group_name = "PG222",
543 crystal_system = "ORTHORHOMBIC",
544 pdb_name = "I 21 21 21",
545 symop_list = [
546 SymOp(Rot_X_Y_Z, Tr_0_0_0),
547 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
548 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
549 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
550 SymOp(Rot_X_Y_Z, Tr_12_12_12),
551 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
552 SymOp(Rot_mX_Y_mZ, Tr_12_0_0),
553 SymOp(Rot_X_mY_mZ, Tr_0_0_12)])
554
555 sg25 = SpaceGroup(
556 number = 25,
557 num_sym_equiv = 4,
558 num_primitive_sym_equiv = 4,
559 short_name = "Pmm2",
560 point_group_name = "PGmm2",
561 crystal_system = "ORTHORHOMBIC",
562 pdb_name = "P m m 2",
563 symop_list = [
564 SymOp(Rot_X_Y_Z, Tr_0_0_0),
565 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
566 SymOp(Rot_X_mY_Z, Tr_0_0_0),
567 SymOp(Rot_mX_Y_Z, Tr_0_0_0)])
568
569 sg26 = SpaceGroup(
570 number = 26,
571 num_sym_equiv = 4,
572 num_primitive_sym_equiv = 4,
573 short_name = "Pmc21",
574 point_group_name = "PGmm2",
575 crystal_system = "ORTHORHOMBIC",
576 pdb_name = "P m c 21",
577 symop_list = [
578 SymOp(Rot_X_Y_Z, Tr_0_0_0),
579 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
580 SymOp(Rot_X_mY_Z, Tr_0_0_12),
581 SymOp(Rot_mX_Y_Z, Tr_0_0_0)])
582
583 sg27 = SpaceGroup(
584 number = 27,
585 num_sym_equiv = 4,
586 num_primitive_sym_equiv = 4,
587 short_name = "Pcc2",
588 point_group_name = "PGmm2",
589 crystal_system = "ORTHORHOMBIC",
590 pdb_name = "P c c 2",
591 symop_list = [
592 SymOp(Rot_X_Y_Z, Tr_0_0_0),
593 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
594 SymOp(Rot_X_mY_Z, Tr_0_0_12),
595 SymOp(Rot_mX_Y_Z, Tr_0_0_12)])
596
597 sg28 = SpaceGroup(
598 number = 28,
599 num_sym_equiv = 4,
600 num_primitive_sym_equiv = 4,
601 short_name = "Pma2",
602 point_group_name = "PGmm2",
603 crystal_system = "ORTHORHOMBIC",
604 pdb_name = "P m a 2",
605 symop_list = [
606 SymOp(Rot_X_Y_Z, Tr_0_0_0),
607 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
608 SymOp(Rot_X_mY_Z, Tr_12_0_0),
609 SymOp(Rot_mX_Y_Z, Tr_12_0_0)])
610
611 sg29 = SpaceGroup(
612 number = 29,
613 num_sym_equiv = 4,
614 num_primitive_sym_equiv = 4,
615 short_name = "Pca21",
616 point_group_name = "PGmm2",
617 crystal_system = "ORTHORHOMBIC",
618 pdb_name = "P c a 21",
619 symop_list = [
620 SymOp(Rot_X_Y_Z, Tr_0_0_0),
621 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
622 SymOp(Rot_X_mY_Z, Tr_12_0_0),
623 SymOp(Rot_mX_Y_Z, Tr_12_0_12)])
624
625 sg30 = SpaceGroup(
626 number = 30,
627 num_sym_equiv = 4,
628 num_primitive_sym_equiv = 4,
629 short_name = "Pnc2",
630 point_group_name = "PGmm2",
631 crystal_system = "ORTHORHOMBIC",
632 pdb_name = "P n c 2",
633 symop_list = [
634 SymOp(Rot_X_Y_Z, Tr_0_0_0),
635 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
636 SymOp(Rot_X_mY_Z, Tr_0_12_12),
637 SymOp(Rot_mX_Y_Z, Tr_0_12_12)])
638
639 sg31 = SpaceGroup(
640 number = 31,
641 num_sym_equiv = 4,
642 num_primitive_sym_equiv = 4,
643 short_name = "Pmn21",
644 point_group_name = "PGmm2",
645 crystal_system = "ORTHORHOMBIC",
646 pdb_name = "P m n 21",
647 symop_list = [
648 SymOp(Rot_X_Y_Z, Tr_0_0_0),
649 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
650 SymOp(Rot_X_mY_Z, Tr_12_0_12),
651 SymOp(Rot_mX_Y_Z, Tr_0_0_0)])
652
653 sg32 = SpaceGroup(
654 number = 32,
655 num_sym_equiv = 4,
656 num_primitive_sym_equiv = 4,
657 short_name = "Pba2",
658 point_group_name = "PGmm2",
659 crystal_system = "ORTHORHOMBIC",
660 pdb_name = "P b a 2",
661 symop_list = [
662 SymOp(Rot_X_Y_Z, Tr_0_0_0),
663 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
664 SymOp(Rot_X_mY_Z, Tr_12_12_0),
665 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
666
667 sg33 = SpaceGroup(
668 number = 33,
669 num_sym_equiv = 4,
670 num_primitive_sym_equiv = 4,
671 short_name = "Pna21",
672 point_group_name = "PGmm2",
673 crystal_system = "ORTHORHOMBIC",
674 pdb_name = "P n a 21",
675 symop_list = [
676 SymOp(Rot_X_Y_Z, Tr_0_0_0),
677 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
678 SymOp(Rot_X_mY_Z, Tr_12_12_0),
679 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
680
681 sg34 = SpaceGroup(
682 number = 34,
683 num_sym_equiv = 4,
684 num_primitive_sym_equiv = 4,
685 short_name = "Pnn2",
686 point_group_name = "PGmm2",
687 crystal_system = "ORTHORHOMBIC",
688 pdb_name = "P n n 2",
689 symop_list = [
690 SymOp(Rot_X_Y_Z, Tr_0_0_0),
691 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
692 SymOp(Rot_X_mY_Z, Tr_12_12_12),
693 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
694
695 sg35 = SpaceGroup(
696 number = 35,
697 num_sym_equiv = 8,
698 num_primitive_sym_equiv = 4,
699 short_name = "Cmm2",
700 point_group_name = "PGmm2",
701 crystal_system = "ORTHORHOMBIC",
702 pdb_name = "C m m 2",
703 symop_list = [
704 SymOp(Rot_X_Y_Z, Tr_0_0_0),
705 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
706 SymOp(Rot_X_mY_Z, Tr_0_0_0),
707 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
708 SymOp(Rot_X_Y_Z, Tr_12_12_0),
709 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
710 SymOp(Rot_X_mY_Z, Tr_12_12_0),
711 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
712
713 sg36 = SpaceGroup(
714 number = 36,
715 num_sym_equiv = 8,
716 num_primitive_sym_equiv = 4,
717 short_name = "Cmc21",
718 point_group_name = "PGmm2",
719 crystal_system = "ORTHORHOMBIC",
720 pdb_name = "C m c 21",
721 symop_list = [
722 SymOp(Rot_X_Y_Z, Tr_0_0_0),
723 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
724 SymOp(Rot_X_mY_Z, Tr_0_0_12),
725 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
726 SymOp(Rot_X_Y_Z, Tr_12_12_0),
727 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
728 SymOp(Rot_X_mY_Z, Tr_12_12_12),
729 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
730
731 sg37 = SpaceGroup(
732 number = 37,
733 num_sym_equiv = 8,
734 num_primitive_sym_equiv = 4,
735 short_name = "Ccc2",
736 point_group_name = "PGmm2",
737 crystal_system = "ORTHORHOMBIC",
738 pdb_name = "C c c 2",
739 symop_list = [
740 SymOp(Rot_X_Y_Z, Tr_0_0_0),
741 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
742 SymOp(Rot_X_mY_Z, Tr_0_0_12),
743 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
744 SymOp(Rot_X_Y_Z, Tr_12_12_0),
745 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
746 SymOp(Rot_X_mY_Z, Tr_12_12_12),
747 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
748
749 sg38 = SpaceGroup(
750 number = 38,
751 num_sym_equiv = 8,
752 num_primitive_sym_equiv = 4,
753 short_name = "Amm2",
754 point_group_name = "PGmm2",
755 crystal_system = "ORTHORHOMBIC",
756 pdb_name = "A m m 2",
757 symop_list = [
758 SymOp(Rot_X_Y_Z, Tr_0_0_0),
759 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
760 SymOp(Rot_X_mY_Z, Tr_0_0_0),
761 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
762 SymOp(Rot_X_Y_Z, Tr_0_12_12),
763 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
764 SymOp(Rot_X_mY_Z, Tr_0_12_12),
765 SymOp(Rot_mX_Y_Z, Tr_0_12_12)])
766
767 sg39 = SpaceGroup(
768 number = 39,
769 num_sym_equiv = 8,
770 num_primitive_sym_equiv = 4,
771 short_name = "Abm2",
772 point_group_name = "PGmm2",
773 crystal_system = "ORTHORHOMBIC",
774 pdb_name = "A b m 2",
775 symop_list = [
776 SymOp(Rot_X_Y_Z, Tr_0_0_0),
777 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
778 SymOp(Rot_X_mY_Z, Tr_0_12_0),
779 SymOp(Rot_mX_Y_Z, Tr_0_12_0),
780 SymOp(Rot_X_Y_Z, Tr_0_12_12),
781 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
782 SymOp(Rot_X_mY_Z, Tr_0_0_12),
783 SymOp(Rot_mX_Y_Z, Tr_0_0_12)])
784
785 sg40 = SpaceGroup(
786 number = 40,
787 num_sym_equiv = 8,
788 num_primitive_sym_equiv = 4,
789 short_name = "Ama2",
790 point_group_name = "PGmm2",
791 crystal_system = "ORTHORHOMBIC",
792 pdb_name = "A m a 2",
793 symop_list = [
794 SymOp(Rot_X_Y_Z, Tr_0_0_0),
795 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
796 SymOp(Rot_X_mY_Z, Tr_12_0_0),
797 SymOp(Rot_mX_Y_Z, Tr_12_0_0),
798 SymOp(Rot_X_Y_Z, Tr_0_12_12),
799 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
800 SymOp(Rot_X_mY_Z, Tr_12_12_12),
801 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
802
803 sg41 = SpaceGroup(
804 number = 41,
805 num_sym_equiv = 8,
806 num_primitive_sym_equiv = 4,
807 short_name = "Aba2",
808 point_group_name = "PGmm2",
809 crystal_system = "ORTHORHOMBIC",
810 pdb_name = "A b a 2",
811 symop_list = [
812 SymOp(Rot_X_Y_Z, Tr_0_0_0),
813 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
814 SymOp(Rot_X_mY_Z, Tr_12_12_0),
815 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
816 SymOp(Rot_X_Y_Z, Tr_0_12_12),
817 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
818 SymOp(Rot_X_mY_Z, Tr_12_0_12),
819 SymOp(Rot_mX_Y_Z, Tr_12_0_12)])
820
821 sg42 = SpaceGroup(
822 number = 42,
823 num_sym_equiv = 16,
824 num_primitive_sym_equiv = 4,
825 short_name = "Fmm2",
826 point_group_name = "PGmm2",
827 crystal_system = "ORTHORHOMBIC",
828 pdb_name = "F m m 2",
829 symop_list = [
830 SymOp(Rot_X_Y_Z, Tr_0_0_0),
831 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
832 SymOp(Rot_X_mY_Z, Tr_0_0_0),
833 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
834 SymOp(Rot_X_Y_Z, Tr_0_12_12),
835 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
836 SymOp(Rot_X_mY_Z, Tr_0_12_12),
837 SymOp(Rot_mX_Y_Z, Tr_0_12_12),
838 SymOp(Rot_X_Y_Z, Tr_12_0_12),
839 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
840 SymOp(Rot_X_mY_Z, Tr_12_0_12),
841 SymOp(Rot_mX_Y_Z, Tr_12_0_12),
842 SymOp(Rot_X_Y_Z, Tr_12_12_0),
843 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
844 SymOp(Rot_X_mY_Z, Tr_12_12_0),
845 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
846
847 sg43 = SpaceGroup(
848 number = 43,
849 num_sym_equiv = 16,
850 num_primitive_sym_equiv = 4,
851 short_name = "Fdd2",
852 point_group_name = "PGmm2",
853 crystal_system = "ORTHORHOMBIC",
854 pdb_name = "F d d 2",
855 symop_list = [
856 SymOp(Rot_X_Y_Z, Tr_0_0_0),
857 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
858 SymOp(Rot_X_mY_Z, Tr_14_14_14),
859 SymOp(Rot_mX_Y_Z, Tr_14_14_14),
860 SymOp(Rot_X_Y_Z, Tr_0_12_12),
861 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
862 SymOp(Rot_X_mY_Z, Tr_14_34_34),
863 SymOp(Rot_mX_Y_Z, Tr_14_34_34),
864 SymOp(Rot_X_Y_Z, Tr_12_0_12),
865 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
866 SymOp(Rot_X_mY_Z, Tr_34_14_34),
867 SymOp(Rot_mX_Y_Z, Tr_34_14_34),
868 SymOp(Rot_X_Y_Z, Tr_12_12_0),
869 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
870 SymOp(Rot_X_mY_Z, Tr_34_34_14),
871 SymOp(Rot_mX_Y_Z, Tr_34_34_14)])
872
873 sg44 = SpaceGroup(
874 number = 44,
875 num_sym_equiv = 8,
876 num_primitive_sym_equiv = 4,
877 short_name = "Imm2",
878 point_group_name = "PGmm2",
879 crystal_system = "ORTHORHOMBIC",
880 pdb_name = "I m m 2",
881 symop_list = [
882 SymOp(Rot_X_Y_Z, Tr_0_0_0),
883 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
884 SymOp(Rot_X_mY_Z, Tr_0_0_0),
885 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
886 SymOp(Rot_X_Y_Z, Tr_12_12_12),
887 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
888 SymOp(Rot_X_mY_Z, Tr_12_12_12),
889 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
890
891 sg45 = SpaceGroup(
892 number = 45,
893 num_sym_equiv = 8,
894 num_primitive_sym_equiv = 4,
895 short_name = "Iba2",
896 point_group_name = "PGmm2",
897 crystal_system = "ORTHORHOMBIC",
898 pdb_name = "I b a 2",
899 symop_list = [
900 SymOp(Rot_X_Y_Z, Tr_0_0_0),
901 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
902 SymOp(Rot_X_mY_Z, Tr_12_12_0),
903 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
904 SymOp(Rot_X_Y_Z, Tr_12_12_12),
905 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
906 SymOp(Rot_X_mY_Z, Tr_0_0_12),
907 SymOp(Rot_mX_Y_Z, Tr_0_0_12)])
908
909 sg46 = SpaceGroup(
910 number = 46,
911 num_sym_equiv = 8,
912 num_primitive_sym_equiv = 4,
913 short_name = "Ima2",
914 point_group_name = "PGmm2",
915 crystal_system = "ORTHORHOMBIC",
916 pdb_name = "I m a 2",
917 symop_list = [
918 SymOp(Rot_X_Y_Z, Tr_0_0_0),
919 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
920 SymOp(Rot_X_mY_Z, Tr_12_0_0),
921 SymOp(Rot_mX_Y_Z, Tr_12_0_0),
922 SymOp(Rot_X_Y_Z, Tr_12_12_12),
923 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
924 SymOp(Rot_X_mY_Z, Tr_0_12_12),
925 SymOp(Rot_mX_Y_Z, Tr_0_12_12)])
926
927 sg47 = SpaceGroup(
928 number = 47,
929 num_sym_equiv = 8,
930 num_primitive_sym_equiv = 8,
931 short_name = "Pmmm",
932 point_group_name = "PGmmm",
933 crystal_system = "ORTHORHOMBIC",
934 pdb_name = "P 2/m 2/m 2/m",
935 symop_list = [
936 SymOp(Rot_X_Y_Z, Tr_0_0_0),
937 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
938 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
939 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
940 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
941 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
942 SymOp(Rot_X_mY_Z, Tr_0_0_0),
943 SymOp(Rot_mX_Y_Z, Tr_0_0_0)])
944
945 sg48 = SpaceGroup(
946 number = 48,
947 num_sym_equiv = 8,
948 num_primitive_sym_equiv = 8,
949 short_name = "Pnnn",
950 point_group_name = "PGmmm",
951 crystal_system = "ORTHORHOMBIC",
952 pdb_name = "P 2/n 2/n 2/n",
953 symop_list = [
954 SymOp(Rot_X_Y_Z, Tr_0_0_0),
955 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
956 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
957 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
958 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
959 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
960 SymOp(Rot_X_mY_Z, Tr_12_12_12),
961 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
962
963 sg49 = SpaceGroup(
964 number = 49,
965 num_sym_equiv = 8,
966 num_primitive_sym_equiv = 8,
967 short_name = "Pccm",
968 point_group_name = "PGmmm",
969 crystal_system = "ORTHORHOMBIC",
970 pdb_name = "P 2/c 2/c 2/m",
971 symop_list = [
972 SymOp(Rot_X_Y_Z, Tr_0_0_0),
973 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
974 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
975 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
976 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
977 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
978 SymOp(Rot_X_mY_Z, Tr_0_0_12),
979 SymOp(Rot_mX_Y_Z, Tr_0_0_12)])
980
981 sg50 = SpaceGroup(
982 number = 50,
983 num_sym_equiv = 8,
984 num_primitive_sym_equiv = 8,
985 short_name = "Pban",
986 point_group_name = "PGmmm",
987 crystal_system = "ORTHORHOMBIC",
988 pdb_name = "P 2/b 2/a 2/n",
989 symop_list = [
990 SymOp(Rot_X_Y_Z, Tr_0_0_0),
991 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
992 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
993 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
994 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
995 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
996 SymOp(Rot_X_mY_Z, Tr_12_12_0),
997 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
998
999 sg51 = SpaceGroup(
1000 number = 51,
1001 num_sym_equiv = 8,
1002 num_primitive_sym_equiv = 8,
1003 short_name = "Pmma",
1004 point_group_name = "PGmmm",
1005 crystal_system = "ORTHORHOMBIC",
1006 pdb_name = "P 21/m 2/m 2/a",
1007 symop_list = [
1008 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1009 SymOp(Rot_mX_mY_Z, Tr_12_0_0),
1010 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1011 SymOp(Rot_X_mY_mZ, Tr_12_0_0),
1012 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1013 SymOp(Rot_X_Y_mZ, Tr_12_0_0),
1014 SymOp(Rot_X_mY_Z, Tr_0_0_0),
1015 SymOp(Rot_mX_Y_Z, Tr_12_0_0)])
1016
1017 sg52 = SpaceGroup(
1018 number = 52,
1019 num_sym_equiv = 8,
1020 num_primitive_sym_equiv = 8,
1021 short_name = "Pnna",
1022 point_group_name = "PGmmm",
1023 crystal_system = "ORTHORHOMBIC",
1024 pdb_name = "P 2/n 21/n 2/a",
1025 symop_list = [
1026 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1027 SymOp(Rot_mX_mY_Z, Tr_12_0_0),
1028 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
1029 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
1030 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1031 SymOp(Rot_X_Y_mZ, Tr_12_0_0),
1032 SymOp(Rot_X_mY_Z, Tr_12_12_12),
1033 SymOp(Rot_mX_Y_Z, Tr_0_12_12)])
1034
1035 sg53 = SpaceGroup(
1036 number = 53,
1037 num_sym_equiv = 8,
1038 num_primitive_sym_equiv = 8,
1039 short_name = "Pmna",
1040 point_group_name = "PGmmm",
1041 crystal_system = "ORTHORHOMBIC",
1042 pdb_name = "P 2/m 2/n 21/a",
1043 symop_list = [
1044 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1045 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
1046 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
1047 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1048 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1049 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
1050 SymOp(Rot_X_mY_Z, Tr_12_0_12),
1051 SymOp(Rot_mX_Y_Z, Tr_0_0_0)])
1052
1053 sg54 = SpaceGroup(
1054 number = 54,
1055 num_sym_equiv = 8,
1056 num_primitive_sym_equiv = 8,
1057 short_name = "Pcca",
1058 point_group_name = "PGmmm",
1059 crystal_system = "ORTHORHOMBIC",
1060 pdb_name = "P 21/c 2/c 2/a",
1061 symop_list = [
1062 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1063 SymOp(Rot_mX_mY_Z, Tr_12_0_0),
1064 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
1065 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
1066 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1067 SymOp(Rot_X_Y_mZ, Tr_12_0_0),
1068 SymOp(Rot_X_mY_Z, Tr_0_0_12),
1069 SymOp(Rot_mX_Y_Z, Tr_12_0_12)])
1070
1071 sg55 = SpaceGroup(
1072 number = 55,
1073 num_sym_equiv = 8,
1074 num_primitive_sym_equiv = 8,
1075 short_name = "Pbam",
1076 point_group_name = "PGmmm",
1077 crystal_system = "ORTHORHOMBIC",
1078 pdb_name = "P 21/b 21/a 2/m",
1079 symop_list = [
1080 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1081 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1082 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
1083 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1084 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1085 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1086 SymOp(Rot_X_mY_Z, Tr_12_12_0),
1087 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
1088
1089 sg56 = SpaceGroup(
1090 number = 56,
1091 num_sym_equiv = 8,
1092 num_primitive_sym_equiv = 8,
1093 short_name = "Pccn",
1094 point_group_name = "PGmmm",
1095 crystal_system = "ORTHORHOMBIC",
1096 pdb_name = "P 21/c 21/c 2/n",
1097 symop_list = [
1098 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1099 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
1100 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
1101 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
1102 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1103 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
1104 SymOp(Rot_X_mY_Z, Tr_0_12_12),
1105 SymOp(Rot_mX_Y_Z, Tr_12_0_12)])
1106
1107 sg57 = SpaceGroup(
1108 number = 57,
1109 num_sym_equiv = 8,
1110 num_primitive_sym_equiv = 8,
1111 short_name = "Pbcm",
1112 point_group_name = "PGmmm",
1113 crystal_system = "ORTHORHOMBIC",
1114 pdb_name = "P 2/b 21/c 21/m",
1115 symop_list = [
1116 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1117 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
1118 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
1119 SymOp(Rot_X_mY_mZ, Tr_0_12_0),
1120 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1121 SymOp(Rot_X_Y_mZ, Tr_0_0_12),
1122 SymOp(Rot_X_mY_Z, Tr_0_12_12),
1123 SymOp(Rot_mX_Y_Z, Tr_0_12_0)])
1124
1125 sg58 = SpaceGroup(
1126 number = 58,
1127 num_sym_equiv = 8,
1128 num_primitive_sym_equiv = 8,
1129 short_name = "Pnnm",
1130 point_group_name = "PGmmm",
1131 crystal_system = "ORTHORHOMBIC",
1132 pdb_name = "P 21/n 21/n 2/m",
1133 symop_list = [
1134 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1135 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1136 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
1137 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
1138 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1139 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1140 SymOp(Rot_X_mY_Z, Tr_12_12_12),
1141 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
1142
1143 sg59 = SpaceGroup(
1144 number = 59,
1145 num_sym_equiv = 8,
1146 num_primitive_sym_equiv = 8,
1147 short_name = "Pmmn",
1148 point_group_name = "PGmmm",
1149 crystal_system = "ORTHORHOMBIC",
1150 pdb_name = "P 21/m 21/m 2/n",
1151 symop_list = [
1152 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1153 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1154 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
1155 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1156 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
1157 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
1158 SymOp(Rot_X_mY_Z, Tr_0_0_0),
1159 SymOp(Rot_mX_Y_Z, Tr_0_0_0)])
1160
1161 sg60 = SpaceGroup(
1162 number = 60,
1163 num_sym_equiv = 8,
1164 num_primitive_sym_equiv = 8,
1165 short_name = "Pbcn",
1166 point_group_name = "PGmmm",
1167 crystal_system = "ORTHORHOMBIC",
1168 pdb_name = "P 21/b 2/c 21/n",
1169 symop_list = [
1170 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1171 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1172 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
1173 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1174 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1175 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
1176 SymOp(Rot_X_mY_Z, Tr_0_0_12),
1177 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
1178
1179 sg61 = SpaceGroup(
1180 number = 61,
1181 num_sym_equiv = 8,
1182 num_primitive_sym_equiv = 8,
1183 short_name = "Pbca",
1184 point_group_name = "PGmmm",
1185 crystal_system = "ORTHORHOMBIC",
1186 pdb_name = "P 21/b 21/c 21/a",
1187 symop_list = [
1188 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1189 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
1190 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
1191 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1192 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1193 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
1194 SymOp(Rot_X_mY_Z, Tr_0_12_12),
1195 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
1196
1197 sg62 = SpaceGroup(
1198 number = 62,
1199 num_sym_equiv = 8,
1200 num_primitive_sym_equiv = 8,
1201 short_name = "Pnma",
1202 point_group_name = "PGmmm",
1203 crystal_system = "ORTHORHOMBIC",
1204 pdb_name = "P 21/n 21/m 21/a",
1205 symop_list = [
1206 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1207 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
1208 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
1209 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
1210 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1211 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
1212 SymOp(Rot_X_mY_Z, Tr_0_12_0),
1213 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
1214
1215 sg63 = SpaceGroup(
1216 number = 63,
1217 num_sym_equiv = 16,
1218 num_primitive_sym_equiv = 8,
1219 short_name = "Cmcm",
1220 point_group_name = "PGmmm",
1221 crystal_system = "ORTHORHOMBIC",
1222 pdb_name = "C 2/m 2/c 21/m",
1223 symop_list = [
1224 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1225 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
1226 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
1227 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1228 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1229 SymOp(Rot_X_Y_mZ, Tr_0_0_12),
1230 SymOp(Rot_X_mY_Z, Tr_0_0_12),
1231 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
1232 SymOp(Rot_X_Y_Z, Tr_12_12_0),
1233 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1234 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
1235 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1236 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
1237 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
1238 SymOp(Rot_X_mY_Z, Tr_12_12_12),
1239 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
1240
1241 sg64 = SpaceGroup(
1242 number = 64,
1243 num_sym_equiv = 16,
1244 num_primitive_sym_equiv = 8,
1245 short_name = "Cmca",
1246 point_group_name = "PGmmm",
1247 crystal_system = "ORTHORHOMBIC",
1248 pdb_name = "C 2/m 2/c 21/a",
1249 symop_list = [
1250 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1251 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
1252 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
1253 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1254 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1255 SymOp(Rot_X_Y_mZ, Tr_0_12_12),
1256 SymOp(Rot_X_mY_Z, Tr_0_12_12),
1257 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
1258 SymOp(Rot_X_Y_Z, Tr_12_12_0),
1259 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
1260 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
1261 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1262 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
1263 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
1264 SymOp(Rot_X_mY_Z, Tr_12_0_12),
1265 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
1266
1267 sg65 = SpaceGroup(
1268 number = 65,
1269 num_sym_equiv = 16,
1270 num_primitive_sym_equiv = 8,
1271 short_name = "Cmmm",
1272 point_group_name = "PGmmm",
1273 crystal_system = "ORTHORHOMBIC",
1274 pdb_name = "C 2/m 2/m 2/m",
1275 symop_list = [
1276 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1277 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1278 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1279 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1280 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1281 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1282 SymOp(Rot_X_mY_Z, Tr_0_0_0),
1283 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
1284 SymOp(Rot_X_Y_Z, Tr_12_12_0),
1285 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
1286 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
1287 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1288 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
1289 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
1290 SymOp(Rot_X_mY_Z, Tr_12_12_0),
1291 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
1292
1293 sg66 = SpaceGroup(
1294 number = 66,
1295 num_sym_equiv = 16,
1296 num_primitive_sym_equiv = 8,
1297 short_name = "Cccm",
1298 point_group_name = "PGmmm",
1299 crystal_system = "ORTHORHOMBIC",
1300 pdb_name = "C 2/c 2/c 2/m",
1301 symop_list = [
1302 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1303 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1304 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
1305 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
1306 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1307 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1308 SymOp(Rot_X_mY_Z, Tr_0_0_12),
1309 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
1310 SymOp(Rot_X_Y_Z, Tr_12_12_0),
1311 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
1312 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
1313 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
1314 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
1315 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
1316 SymOp(Rot_X_mY_Z, Tr_12_12_12),
1317 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
1318
1319 sg67 = SpaceGroup(
1320 number = 67,
1321 num_sym_equiv = 16,
1322 num_primitive_sym_equiv = 8,
1323 short_name = "Cmma",
1324 point_group_name = "PGmmm",
1325 crystal_system = "ORTHORHOMBIC",
1326 pdb_name = "C 2/m 2/m 2/a",
1327 symop_list = [
1328 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1329 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
1330 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
1331 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1332 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1333 SymOp(Rot_X_Y_mZ, Tr_0_12_0),
1334 SymOp(Rot_X_mY_Z, Tr_0_12_0),
1335 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
1336 SymOp(Rot_X_Y_Z, Tr_12_12_0),
1337 SymOp(Rot_mX_mY_Z, Tr_12_0_0),
1338 SymOp(Rot_mX_Y_mZ, Tr_12_0_0),
1339 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1340 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
1341 SymOp(Rot_X_Y_mZ, Tr_12_0_0),
1342 SymOp(Rot_X_mY_Z, Tr_12_0_0),
1343 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
1344
1345 sg68 = SpaceGroup(
1346 number = 68,
1347 num_sym_equiv = 16,
1348 num_primitive_sym_equiv = 8,
1349 short_name = "Ccca",
1350 point_group_name = "PGmmm",
1351 crystal_system = "ORTHORHOMBIC",
1352 pdb_name = "C 2/c 2/c 2/a",
1353 symop_list = [
1354 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1355 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
1356 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1357 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1358 SymOp(Rot_mX_mY_mZ, Tr_0_12_12),
1359 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
1360 SymOp(Rot_X_mY_Z, Tr_0_12_12),
1361 SymOp(Rot_mX_Y_Z, Tr_12_0_12),
1362 SymOp(Rot_X_Y_Z, Tr_12_12_0),
1363 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1364 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
1365 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1366 SymOp(Rot_mX_mY_mZ, Tr_12_0_12),
1367 SymOp(Rot_X_Y_mZ, Tr_0_12_12),
1368 SymOp(Rot_X_mY_Z, Tr_12_0_12),
1369 SymOp(Rot_mX_Y_Z, Tr_0_12_12)])
1370
1371 sg69 = SpaceGroup(
1372 number = 69,
1373 num_sym_equiv = 32,
1374 num_primitive_sym_equiv = 8,
1375 short_name = "Fmmm",
1376 point_group_name = "PGmmm",
1377 crystal_system = "ORTHORHOMBIC",
1378 pdb_name = "F 2/m 2/m 2/m",
1379 symop_list = [
1380 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1381 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1382 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1383 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1384 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1385 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1386 SymOp(Rot_X_mY_Z, Tr_0_0_0),
1387 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
1388 SymOp(Rot_X_Y_Z, Tr_0_12_12),
1389 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
1390 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
1391 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
1392 SymOp(Rot_mX_mY_mZ, Tr_0_12_12),
1393 SymOp(Rot_X_Y_mZ, Tr_0_12_12),
1394 SymOp(Rot_X_mY_Z, Tr_0_12_12),
1395 SymOp(Rot_mX_Y_Z, Tr_0_12_12),
1396 SymOp(Rot_X_Y_Z, Tr_12_0_12),
1397 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
1398 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
1399 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
1400 SymOp(Rot_mX_mY_mZ, Tr_12_0_12),
1401 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
1402 SymOp(Rot_X_mY_Z, Tr_12_0_12),
1403 SymOp(Rot_mX_Y_Z, Tr_12_0_12),
1404 SymOp(Rot_X_Y_Z, Tr_12_12_0),
1405 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
1406 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
1407 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1408 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
1409 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
1410 SymOp(Rot_X_mY_Z, Tr_12_12_0),
1411 SymOp(Rot_mX_Y_Z, Tr_12_12_0)])
1412
1413 sg70 = SpaceGroup(
1414 number = 70,
1415 num_sym_equiv = 32,
1416 num_primitive_sym_equiv = 8,
1417 short_name = "Fddd",
1418 point_group_name = "PGmmm",
1419 crystal_system = "ORTHORHOMBIC",
1420 pdb_name = "F 2/d 2/d 2/d",
1421 symop_list = [
1422 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1423 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1424 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1425 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1426 SymOp(Rot_mX_mY_mZ, Tr_14_14_14),
1427 SymOp(Rot_X_Y_mZ, Tr_14_14_14),
1428 SymOp(Rot_X_mY_Z, Tr_14_14_14),
1429 SymOp(Rot_mX_Y_Z, Tr_14_14_14),
1430 SymOp(Rot_X_Y_Z, Tr_0_12_12),
1431 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
1432 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
1433 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
1434 SymOp(Rot_mX_mY_mZ, Tr_14_34_34),
1435 SymOp(Rot_X_Y_mZ, Tr_14_34_34),
1436 SymOp(Rot_X_mY_Z, Tr_14_34_34),
1437 SymOp(Rot_mX_Y_Z, Tr_14_34_34),
1438 SymOp(Rot_X_Y_Z, Tr_12_0_12),
1439 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
1440 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
1441 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
1442 SymOp(Rot_mX_mY_mZ, Tr_34_14_34),
1443 SymOp(Rot_X_Y_mZ, Tr_34_14_34),
1444 SymOp(Rot_X_mY_Z, Tr_34_14_34),
1445 SymOp(Rot_mX_Y_Z, Tr_34_14_34),
1446 SymOp(Rot_X_Y_Z, Tr_12_12_0),
1447 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
1448 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
1449 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1450 SymOp(Rot_mX_mY_mZ, Tr_34_34_14),
1451 SymOp(Rot_X_Y_mZ, Tr_34_34_14),
1452 SymOp(Rot_X_mY_Z, Tr_34_34_14),
1453 SymOp(Rot_mX_Y_Z, Tr_34_34_14)])
1454
1455 sg71 = SpaceGroup(
1456 number = 71,
1457 num_sym_equiv = 16,
1458 num_primitive_sym_equiv = 8,
1459 short_name = "Immm",
1460 point_group_name = "PGmmm",
1461 crystal_system = "ORTHORHOMBIC",
1462 pdb_name = "I 2/m 2/m 2/m",
1463 symop_list = [
1464 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1465 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1466 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1467 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1468 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1469 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1470 SymOp(Rot_X_mY_Z, Tr_0_0_0),
1471 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
1472 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1473 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1474 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
1475 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
1476 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
1477 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
1478 SymOp(Rot_X_mY_Z, Tr_12_12_12),
1479 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
1480
1481 sg72 = SpaceGroup(
1482 number = 72,
1483 num_sym_equiv = 16,
1484 num_primitive_sym_equiv = 8,
1485 short_name = "Ibam",
1486 point_group_name = "PGmmm",
1487 crystal_system = "ORTHORHOMBIC",
1488 pdb_name = "I 2/b 2/a 2/m",
1489 symop_list = [
1490 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1491 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1492 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
1493 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1494 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1495 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1496 SymOp(Rot_X_mY_Z, Tr_12_12_0),
1497 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
1498 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1499 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1500 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
1501 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
1502 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
1503 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
1504 SymOp(Rot_X_mY_Z, Tr_0_0_12),
1505 SymOp(Rot_mX_Y_Z, Tr_0_0_12)])
1506
1507 sg73 = SpaceGroup(
1508 number = 73,
1509 num_sym_equiv = 16,
1510 num_primitive_sym_equiv = 8,
1511 short_name = "Ibca",
1512 point_group_name = "PGmmm",
1513 crystal_system = "ORTHORHOMBIC",
1514 pdb_name = "I 21/b 21/c 21/a",
1515 symop_list = [
1516 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1517 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
1518 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
1519 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1520 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1521 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
1522 SymOp(Rot_X_mY_Z, Tr_0_12_12),
1523 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
1524 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1525 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
1526 SymOp(Rot_mX_Y_mZ, Tr_12_0_0),
1527 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
1528 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
1529 SymOp(Rot_X_Y_mZ, Tr_0_12_0),
1530 SymOp(Rot_X_mY_Z, Tr_12_0_0),
1531 SymOp(Rot_mX_Y_Z, Tr_0_0_12)])
1532
1533 sg74 = SpaceGroup(
1534 number = 74,
1535 num_sym_equiv = 16,
1536 num_primitive_sym_equiv = 8,
1537 short_name = "Imma",
1538 point_group_name = "PGmmm",
1539 crystal_system = "ORTHORHOMBIC",
1540 pdb_name = "I 21/m 21/m 21/a",
1541 symop_list = [
1542 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1543 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
1544 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
1545 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1546 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1547 SymOp(Rot_X_Y_mZ, Tr_0_12_0),
1548 SymOp(Rot_X_mY_Z, Tr_0_12_0),
1549 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
1550 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1551 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
1552 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
1553 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
1554 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
1555 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
1556 SymOp(Rot_X_mY_Z, Tr_12_0_12),
1557 SymOp(Rot_mX_Y_Z, Tr_12_12_12)])
1558
1559 sg75 = SpaceGroup(
1560 number = 75,
1561 num_sym_equiv = 4,
1562 num_primitive_sym_equiv = 4,
1563 short_name = "P4",
1564 point_group_name = "PG4",
1565 crystal_system = "TETRAGONAL",
1566 pdb_name = "P 4",
1567 symop_list = [
1568 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1569 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1570 SymOp(Rot_mY_X_Z, Tr_0_0_0),
1571 SymOp(Rot_Y_mX_Z, Tr_0_0_0)])
1572
1573 sg76 = SpaceGroup(
1574 number = 76,
1575 num_sym_equiv = 4,
1576 num_primitive_sym_equiv = 4,
1577 short_name = "P41",
1578 point_group_name = "PG4",
1579 crystal_system = "TETRAGONAL",
1580 pdb_name = "P 41",
1581 symop_list = [
1582 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1583 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
1584 SymOp(Rot_mY_X_Z, Tr_0_0_14),
1585 SymOp(Rot_Y_mX_Z, Tr_0_0_34)])
1586
1587 sg77 = SpaceGroup(
1588 number = 77,
1589 num_sym_equiv = 4,
1590 num_primitive_sym_equiv = 4,
1591 short_name = "P42",
1592 point_group_name = "PG4",
1593 crystal_system = "TETRAGONAL",
1594 pdb_name = "P 42",
1595 symop_list = [
1596 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1597 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1598 SymOp(Rot_mY_X_Z, Tr_0_0_12),
1599 SymOp(Rot_Y_mX_Z, Tr_0_0_12)])
1600
1601 sg78 = SpaceGroup(
1602 number = 78,
1603 num_sym_equiv = 4,
1604 num_primitive_sym_equiv = 4,
1605 short_name = "P43",
1606 point_group_name = "PG4",
1607 crystal_system = "TETRAGONAL",
1608 pdb_name = "P 43",
1609 symop_list = [
1610 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1611 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
1612 SymOp(Rot_mY_X_Z, Tr_0_0_34),
1613 SymOp(Rot_Y_mX_Z, Tr_0_0_14)])
1614
1615 sg79 = SpaceGroup(
1616 number = 79,
1617 num_sym_equiv = 8,
1618 num_primitive_sym_equiv = 4,
1619 short_name = "I4",
1620 point_group_name = "PG4",
1621 crystal_system = "TETRAGONAL",
1622 pdb_name = "I 4",
1623 symop_list = [
1624 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1625 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1626 SymOp(Rot_mY_X_Z, Tr_0_0_0),
1627 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
1628 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1629 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1630 SymOp(Rot_mY_X_Z, Tr_12_12_12),
1631 SymOp(Rot_Y_mX_Z, Tr_12_12_12)])
1632
1633 sg80 = SpaceGroup(
1634 number = 80,
1635 num_sym_equiv = 8,
1636 num_primitive_sym_equiv = 4,
1637 short_name = "I41",
1638 point_group_name = "PG4",
1639 crystal_system = "TETRAGONAL",
1640 pdb_name = "I 41",
1641 symop_list = [
1642 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1643 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1644 SymOp(Rot_mY_X_Z, Tr_0_12_14),
1645 SymOp(Rot_Y_mX_Z, Tr_12_0_34),
1646 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1647 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1648 SymOp(Rot_mY_X_Z, Tr_12_0_34),
1649 SymOp(Rot_Y_mX_Z, Tr_0_12_14)])
1650
1651 sg81 = SpaceGroup(
1652 number = 81,
1653 num_sym_equiv = 4,
1654 num_primitive_sym_equiv = 4,
1655 short_name = "P-4",
1656 point_group_name = "PG4bar",
1657 crystal_system = "TETRAGONAL",
1658 pdb_name = "P -4",
1659 symop_list = [
1660 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1661 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1662 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
1663 SymOp(Rot_mY_X_mZ, Tr_0_0_0)])
1664
1665 sg82 = SpaceGroup(
1666 number = 82,
1667 num_sym_equiv = 8,
1668 num_primitive_sym_equiv = 4,
1669 short_name = "I-4",
1670 point_group_name = "PG4bar",
1671 crystal_system = "TETRAGONAL",
1672 pdb_name = "I -4",
1673 symop_list = [
1674 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1675 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1676 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
1677 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
1678 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1679 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1680 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
1681 SymOp(Rot_mY_X_mZ, Tr_12_12_12)])
1682
1683 sg83 = SpaceGroup(
1684 number = 83,
1685 num_sym_equiv = 8,
1686 num_primitive_sym_equiv = 8,
1687 short_name = "P4/m",
1688 point_group_name = "PG4/m",
1689 crystal_system = "TETRAGONAL",
1690 pdb_name = "P 4/m",
1691 symop_list = [
1692 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1693 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1694 SymOp(Rot_mY_X_Z, Tr_0_0_0),
1695 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
1696 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1697 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1698 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
1699 SymOp(Rot_mY_X_mZ, Tr_0_0_0)])
1700
1701 sg84 = SpaceGroup(
1702 number = 84,
1703 num_sym_equiv = 8,
1704 num_primitive_sym_equiv = 8,
1705 short_name = "P42/m",
1706 point_group_name = "PG4/m",
1707 crystal_system = "TETRAGONAL",
1708 pdb_name = "P 42/m",
1709 symop_list = [
1710 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1711 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1712 SymOp(Rot_mY_X_Z, Tr_0_0_12),
1713 SymOp(Rot_Y_mX_Z, Tr_0_0_12),
1714 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1715 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1716 SymOp(Rot_Y_mX_mZ, Tr_0_0_12),
1717 SymOp(Rot_mY_X_mZ, Tr_0_0_12)])
1718
1719 sg85 = SpaceGroup(
1720 number = 85,
1721 num_sym_equiv = 8,
1722 num_primitive_sym_equiv = 8,
1723 short_name = "P4/n",
1724 point_group_name = "PG4/m",
1725 crystal_system = "TETRAGONAL",
1726 pdb_name = "P 4/n",
1727 symop_list = [
1728 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1729 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1730 SymOp(Rot_mY_X_Z, Tr_12_12_0),
1731 SymOp(Rot_Y_mX_Z, Tr_12_12_0),
1732 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
1733 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
1734 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
1735 SymOp(Rot_mY_X_mZ, Tr_0_0_0)])
1736
1737 sg86 = SpaceGroup(
1738 number = 86,
1739 num_sym_equiv = 8,
1740 num_primitive_sym_equiv = 8,
1741 short_name = "P42/n",
1742 point_group_name = "PG4/m",
1743 crystal_system = "TETRAGONAL",
1744 pdb_name = "P 42/n",
1745 symop_list = [
1746 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1747 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1748 SymOp(Rot_mY_X_Z, Tr_12_12_12),
1749 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
1750 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
1751 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
1752 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
1753 SymOp(Rot_mY_X_mZ, Tr_0_0_0)])
1754
1755 sg87 = SpaceGroup(
1756 number = 87,
1757 num_sym_equiv = 16,
1758 num_primitive_sym_equiv = 8,
1759 short_name = "I4/m",
1760 point_group_name = "PG4/m",
1761 crystal_system = "TETRAGONAL",
1762 pdb_name = "I 4/m",
1763 symop_list = [
1764 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1765 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1766 SymOp(Rot_mY_X_Z, Tr_0_0_0),
1767 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
1768 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
1769 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
1770 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
1771 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
1772 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1773 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1774 SymOp(Rot_mY_X_Z, Tr_12_12_12),
1775 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
1776 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
1777 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
1778 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
1779 SymOp(Rot_mY_X_mZ, Tr_12_12_12)])
1780
1781 sg88 = SpaceGroup(
1782 number = 88,
1783 num_sym_equiv = 16,
1784 num_primitive_sym_equiv = 8,
1785 short_name = "I41/a",
1786 point_group_name = "PG4/m",
1787 crystal_system = "TETRAGONAL",
1788 pdb_name = "I 41/a",
1789 symop_list = [
1790 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1791 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1792 SymOp(Rot_mY_X_Z, Tr_0_12_14),
1793 SymOp(Rot_Y_mX_Z, Tr_12_0_34),
1794 SymOp(Rot_mX_mY_mZ, Tr_0_12_14),
1795 SymOp(Rot_X_Y_mZ, Tr_12_0_34),
1796 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
1797 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
1798 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1799 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1800 SymOp(Rot_mY_X_Z, Tr_12_0_34),
1801 SymOp(Rot_Y_mX_Z, Tr_0_12_14),
1802 SymOp(Rot_mX_mY_mZ, Tr_12_0_34),
1803 SymOp(Rot_X_Y_mZ, Tr_0_12_14),
1804 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
1805 SymOp(Rot_mY_X_mZ, Tr_0_0_0)])
1806
1807 sg89 = SpaceGroup(
1808 number = 89,
1809 num_sym_equiv = 8,
1810 num_primitive_sym_equiv = 8,
1811 short_name = "P422",
1812 point_group_name = "PG422",
1813 crystal_system = "TETRAGONAL",
1814 pdb_name = "P 4 2 2",
1815 symop_list = [
1816 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1817 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1818 SymOp(Rot_mY_X_Z, Tr_0_0_0),
1819 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
1820 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1821 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1822 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
1823 SymOp(Rot_mY_mX_mZ, Tr_0_0_0)])
1824
1825 sg90 = SpaceGroup(
1826 number = 90,
1827 num_sym_equiv = 8,
1828 num_primitive_sym_equiv = 8,
1829 short_name = "P4212",
1830 point_group_name = "PG422",
1831 crystal_system = "TETRAGONAL",
1832 pdb_name = "P 4 21 2",
1833 symop_list = [
1834 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1835 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1836 SymOp(Rot_mY_X_Z, Tr_12_12_0),
1837 SymOp(Rot_Y_mX_Z, Tr_12_12_0),
1838 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
1839 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
1840 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
1841 SymOp(Rot_mY_mX_mZ, Tr_0_0_0)])
1842
1843 sg91 = SpaceGroup(
1844 number = 91,
1845 num_sym_equiv = 8,
1846 num_primitive_sym_equiv = 8,
1847 short_name = "P4122",
1848 point_group_name = "PG422",
1849 crystal_system = "TETRAGONAL",
1850 pdb_name = "P 41 2 2",
1851 symop_list = [
1852 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1853 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
1854 SymOp(Rot_mY_X_Z, Tr_0_0_14),
1855 SymOp(Rot_Y_mX_Z, Tr_0_0_34),
1856 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1857 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
1858 SymOp(Rot_Y_X_mZ, Tr_0_0_34),
1859 SymOp(Rot_mY_mX_mZ, Tr_0_0_14)])
1860
1861 sg92 = SpaceGroup(
1862 number = 92,
1863 num_sym_equiv = 8,
1864 num_primitive_sym_equiv = 8,
1865 short_name = "P41212",
1866 point_group_name = "PG422",
1867 crystal_system = "TETRAGONAL",
1868 pdb_name = "P 41 21 2",
1869 symop_list = [
1870 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1871 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
1872 SymOp(Rot_mY_X_Z, Tr_12_12_14),
1873 SymOp(Rot_Y_mX_Z, Tr_12_12_34),
1874 SymOp(Rot_mX_Y_mZ, Tr_12_12_14),
1875 SymOp(Rot_X_mY_mZ, Tr_12_12_34),
1876 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
1877 SymOp(Rot_mY_mX_mZ, Tr_0_0_12)])
1878
1879 sg93 = SpaceGroup(
1880 number = 93,
1881 num_sym_equiv = 8,
1882 num_primitive_sym_equiv = 8,
1883 short_name = "P4222",
1884 point_group_name = "PG422",
1885 crystal_system = "TETRAGONAL",
1886 pdb_name = "P 42 2 2",
1887 symop_list = [
1888 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1889 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1890 SymOp(Rot_mY_X_Z, Tr_0_0_12),
1891 SymOp(Rot_Y_mX_Z, Tr_0_0_12),
1892 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1893 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1894 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
1895 SymOp(Rot_mY_mX_mZ, Tr_0_0_12)])
1896
1897 sg94 = SpaceGroup(
1898 number = 94,
1899 num_sym_equiv = 8,
1900 num_primitive_sym_equiv = 8,
1901 short_name = "P42212",
1902 point_group_name = "PG422",
1903 crystal_system = "TETRAGONAL",
1904 pdb_name = "P 42 21 2",
1905 symop_list = [
1906 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1907 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1908 SymOp(Rot_mY_X_Z, Tr_12_12_12),
1909 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
1910 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
1911 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
1912 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
1913 SymOp(Rot_mY_mX_mZ, Tr_0_0_0)])
1914
1915 sg95 = SpaceGroup(
1916 number = 95,
1917 num_sym_equiv = 8,
1918 num_primitive_sym_equiv = 8,
1919 short_name = "P4322",
1920 point_group_name = "PG422",
1921 crystal_system = "TETRAGONAL",
1922 pdb_name = "P 43 2 2",
1923 symop_list = [
1924 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1925 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
1926 SymOp(Rot_mY_X_Z, Tr_0_0_34),
1927 SymOp(Rot_Y_mX_Z, Tr_0_0_14),
1928 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1929 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
1930 SymOp(Rot_Y_X_mZ, Tr_0_0_14),
1931 SymOp(Rot_mY_mX_mZ, Tr_0_0_34)])
1932
1933 sg96 = SpaceGroup(
1934 number = 96,
1935 num_sym_equiv = 8,
1936 num_primitive_sym_equiv = 8,
1937 short_name = "P43212",
1938 point_group_name = "PG422",
1939 crystal_system = "TETRAGONAL",
1940 pdb_name = "P 43 21 2",
1941 symop_list = [
1942 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1943 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
1944 SymOp(Rot_mY_X_Z, Tr_12_12_34),
1945 SymOp(Rot_Y_mX_Z, Tr_12_12_14),
1946 SymOp(Rot_mX_Y_mZ, Tr_12_12_34),
1947 SymOp(Rot_X_mY_mZ, Tr_12_12_14),
1948 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
1949 SymOp(Rot_mY_mX_mZ, Tr_0_0_12)])
1950
1951 sg97 = SpaceGroup(
1952 number = 97,
1953 num_sym_equiv = 16,
1954 num_primitive_sym_equiv = 8,
1955 short_name = "I422",
1956 point_group_name = "PG422",
1957 crystal_system = "TETRAGONAL",
1958 pdb_name = "I 4 2 2",
1959 symop_list = [
1960 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1961 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1962 SymOp(Rot_mY_X_Z, Tr_0_0_0),
1963 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
1964 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
1965 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
1966 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
1967 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
1968 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1969 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1970 SymOp(Rot_mY_X_Z, Tr_12_12_12),
1971 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
1972 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
1973 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
1974 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
1975 SymOp(Rot_mY_mX_mZ, Tr_12_12_12)])
1976
1977 sg98 = SpaceGroup(
1978 number = 98,
1979 num_sym_equiv = 16,
1980 num_primitive_sym_equiv = 8,
1981 short_name = "I4122",
1982 point_group_name = "PG422",
1983 crystal_system = "TETRAGONAL",
1984 pdb_name = "I 41 2 2",
1985 symop_list = [
1986 SymOp(Rot_X_Y_Z, Tr_0_0_0),
1987 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
1988 SymOp(Rot_mY_X_Z, Tr_0_12_14),
1989 SymOp(Rot_Y_mX_Z, Tr_12_0_34),
1990 SymOp(Rot_mX_Y_mZ, Tr_12_0_34),
1991 SymOp(Rot_X_mY_mZ, Tr_0_12_14),
1992 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
1993 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
1994 SymOp(Rot_X_Y_Z, Tr_12_12_12),
1995 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
1996 SymOp(Rot_mY_X_Z, Tr_12_0_34),
1997 SymOp(Rot_Y_mX_Z, Tr_0_12_14),
1998 SymOp(Rot_mX_Y_mZ, Tr_0_12_14),
1999 SymOp(Rot_X_mY_mZ, Tr_12_0_34),
2000 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2001 SymOp(Rot_mY_mX_mZ, Tr_12_12_12)])
2002
2003 sg99 = SpaceGroup(
2004 number = 99,
2005 num_sym_equiv = 8,
2006 num_primitive_sym_equiv = 8,
2007 short_name = "P4mm",
2008 point_group_name = "PG4mm",
2009 crystal_system = "TETRAGONAL",
2010 pdb_name = "P 4 m m",
2011 symop_list = [
2012 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2013 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2014 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2015 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2016 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2017 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2018 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2019 SymOp(Rot_Y_X_Z, Tr_0_0_0)])
2020
2021 sg100 = SpaceGroup(
2022 number = 100,
2023 num_sym_equiv = 8,
2024 num_primitive_sym_equiv = 8,
2025 short_name = "P4bm",
2026 point_group_name = "PG4mm",
2027 crystal_system = "TETRAGONAL",
2028 pdb_name = "P 4 b m",
2029 symop_list = [
2030 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2031 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2032 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2033 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2034 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2035 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2036 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
2037 SymOp(Rot_Y_X_Z, Tr_12_12_0)])
2038
2039 sg101 = SpaceGroup(
2040 number = 101,
2041 num_sym_equiv = 8,
2042 num_primitive_sym_equiv = 8,
2043 short_name = "P42cm",
2044 point_group_name = "PG4mm",
2045 crystal_system = "TETRAGONAL",
2046 pdb_name = "P 42 c m",
2047 symop_list = [
2048 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2049 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2050 SymOp(Rot_mY_X_Z, Tr_0_0_12),
2051 SymOp(Rot_Y_mX_Z, Tr_0_0_12),
2052 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2053 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2054 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2055 SymOp(Rot_Y_X_Z, Tr_0_0_0)])
2056
2057 sg102 = SpaceGroup(
2058 number = 102,
2059 num_sym_equiv = 8,
2060 num_primitive_sym_equiv = 8,
2061 short_name = "P42nm",
2062 point_group_name = "PG4mm",
2063 crystal_system = "TETRAGONAL",
2064 pdb_name = "P 42 n m",
2065 symop_list = [
2066 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2067 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2068 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2069 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2070 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2071 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2072 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2073 SymOp(Rot_Y_X_Z, Tr_0_0_0)])
2074
2075 sg103 = SpaceGroup(
2076 number = 103,
2077 num_sym_equiv = 8,
2078 num_primitive_sym_equiv = 8,
2079 short_name = "P4cc",
2080 point_group_name = "PG4mm",
2081 crystal_system = "TETRAGONAL",
2082 pdb_name = "P 4 c c",
2083 symop_list = [
2084 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2085 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2086 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2087 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2088 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2089 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2090 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
2091 SymOp(Rot_Y_X_Z, Tr_0_0_12)])
2092
2093 sg104 = SpaceGroup(
2094 number = 104,
2095 num_sym_equiv = 8,
2096 num_primitive_sym_equiv = 8,
2097 short_name = "P4nc",
2098 point_group_name = "PG4mm",
2099 crystal_system = "TETRAGONAL",
2100 pdb_name = "P 4 n c",
2101 symop_list = [
2102 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2103 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2104 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2105 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2106 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2107 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2108 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2109 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2110
2111 sg105 = SpaceGroup(
2112 number = 105,
2113 num_sym_equiv = 8,
2114 num_primitive_sym_equiv = 8,
2115 short_name = "P42mc",
2116 point_group_name = "PG4mm",
2117 crystal_system = "TETRAGONAL",
2118 pdb_name = "P 42 m c",
2119 symop_list = [
2120 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2121 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2122 SymOp(Rot_mY_X_Z, Tr_0_0_12),
2123 SymOp(Rot_Y_mX_Z, Tr_0_0_12),
2124 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2125 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2126 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
2127 SymOp(Rot_Y_X_Z, Tr_0_0_12)])
2128
2129 sg106 = SpaceGroup(
2130 number = 106,
2131 num_sym_equiv = 8,
2132 num_primitive_sym_equiv = 8,
2133 short_name = "P42bc",
2134 point_group_name = "PG4mm",
2135 crystal_system = "TETRAGONAL",
2136 pdb_name = "P 42 b c",
2137 symop_list = [
2138 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2139 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2140 SymOp(Rot_mY_X_Z, Tr_0_0_12),
2141 SymOp(Rot_Y_mX_Z, Tr_0_0_12),
2142 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2143 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2144 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2145 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2146
2147 sg107 = SpaceGroup(
2148 number = 107,
2149 num_sym_equiv = 16,
2150 num_primitive_sym_equiv = 8,
2151 short_name = "I4mm",
2152 point_group_name = "PG4mm",
2153 crystal_system = "TETRAGONAL",
2154 pdb_name = "I 4 m m",
2155 symop_list = [
2156 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2157 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2158 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2159 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2160 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2161 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2162 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2163 SymOp(Rot_Y_X_Z, Tr_0_0_0),
2164 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2165 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2166 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2167 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2168 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2169 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2170 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2171 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2172
2173 sg108 = SpaceGroup(
2174 number = 108,
2175 num_sym_equiv = 16,
2176 num_primitive_sym_equiv = 8,
2177 short_name = "I4cm",
2178 point_group_name = "PG4mm",
2179 crystal_system = "TETRAGONAL",
2180 pdb_name = "I 4 c m",
2181 symop_list = [
2182 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2183 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2184 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2185 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2186 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2187 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2188 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
2189 SymOp(Rot_Y_X_Z, Tr_0_0_12),
2190 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2191 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2192 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2193 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2194 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2195 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2196 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
2197 SymOp(Rot_Y_X_Z, Tr_12_12_0)])
2198
2199 sg109 = SpaceGroup(
2200 number = 109,
2201 num_sym_equiv = 16,
2202 num_primitive_sym_equiv = 8,
2203 short_name = "I41md",
2204 point_group_name = "PG4mm",
2205 crystal_system = "TETRAGONAL",
2206 pdb_name = "I 41 m d",
2207 symop_list = [
2208 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2209 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2210 SymOp(Rot_mY_X_Z, Tr_0_12_14),
2211 SymOp(Rot_Y_mX_Z, Tr_12_0_34),
2212 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2213 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2214 SymOp(Rot_mY_mX_Z, Tr_0_12_14),
2215 SymOp(Rot_Y_X_Z, Tr_12_0_34),
2216 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2217 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2218 SymOp(Rot_mY_X_Z, Tr_12_0_34),
2219 SymOp(Rot_Y_mX_Z, Tr_0_12_14),
2220 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2221 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2222 SymOp(Rot_mY_mX_Z, Tr_12_0_34),
2223 SymOp(Rot_Y_X_Z, Tr_0_12_14)])
2224
2225 sg110 = SpaceGroup(
2226 number = 110,
2227 num_sym_equiv = 16,
2228 num_primitive_sym_equiv = 8,
2229 short_name = "I41cd",
2230 point_group_name = "PG4mm",
2231 crystal_system = "TETRAGONAL",
2232 pdb_name = "I 41 c d",
2233 symop_list = [
2234 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2235 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2236 SymOp(Rot_mY_X_Z, Tr_0_12_14),
2237 SymOp(Rot_Y_mX_Z, Tr_12_0_34),
2238 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2239 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2240 SymOp(Rot_mY_mX_Z, Tr_0_12_34),
2241 SymOp(Rot_Y_X_Z, Tr_12_0_14),
2242 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2243 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2244 SymOp(Rot_mY_X_Z, Tr_12_0_34),
2245 SymOp(Rot_Y_mX_Z, Tr_0_12_14),
2246 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2247 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2248 SymOp(Rot_mY_mX_Z, Tr_12_0_14),
2249 SymOp(Rot_Y_X_Z, Tr_0_12_34)])
2250
2251 sg111 = SpaceGroup(
2252 number = 111,
2253 num_sym_equiv = 8,
2254 num_primitive_sym_equiv = 8,
2255 short_name = "P-42m",
2256 point_group_name = "PG4bar2m",
2257 crystal_system = "TETRAGONAL",
2258 pdb_name = "P -4 2 m",
2259 symop_list = [
2260 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2261 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2262 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2263 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2264 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
2265 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
2266 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2267 SymOp(Rot_Y_X_Z, Tr_0_0_0)])
2268
2269 sg112 = SpaceGroup(
2270 number = 112,
2271 num_sym_equiv = 8,
2272 num_primitive_sym_equiv = 8,
2273 short_name = "P-42c",
2274 point_group_name = "PG4bar2m",
2275 crystal_system = "TETRAGONAL",
2276 pdb_name = "P -4 2 c",
2277 symop_list = [
2278 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2279 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2280 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2281 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2282 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
2283 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
2284 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
2285 SymOp(Rot_Y_X_Z, Tr_0_0_12)])
2286
2287 sg113 = SpaceGroup(
2288 number = 113,
2289 num_sym_equiv = 8,
2290 num_primitive_sym_equiv = 8,
2291 short_name = "P-421m",
2292 point_group_name = "PG4bar2m",
2293 crystal_system = "TETRAGONAL",
2294 pdb_name = "P -4 21 m",
2295 symop_list = [
2296 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2297 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2298 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2299 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2300 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
2301 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
2302 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
2303 SymOp(Rot_Y_X_Z, Tr_12_12_0)])
2304
2305 sg114 = SpaceGroup(
2306 number = 114,
2307 num_sym_equiv = 8,
2308 num_primitive_sym_equiv = 8,
2309 short_name = "P-421c",
2310 point_group_name = "PG4bar2m",
2311 crystal_system = "TETRAGONAL",
2312 pdb_name = "P -4 21 c",
2313 symop_list = [
2314 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2315 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2316 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2317 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2318 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
2319 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
2320 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2321 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2322
2323 sg115 = SpaceGroup(
2324 number = 115,
2325 num_sym_equiv = 8,
2326 num_primitive_sym_equiv = 8,
2327 short_name = "P-4m2",
2328 point_group_name = "PG4barm2",
2329 crystal_system = "TETRAGONAL",
2330 pdb_name = "P -4 m 2",
2331 symop_list = [
2332 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2333 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2334 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2335 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2336 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2337 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2338 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2339 SymOp(Rot_mY_mX_mZ, Tr_0_0_0)])
2340
2341 sg116 = SpaceGroup(
2342 number = 116,
2343 num_sym_equiv = 8,
2344 num_primitive_sym_equiv = 8,
2345 short_name = "P-4c2",
2346 point_group_name = "PG4barm2",
2347 crystal_system = "TETRAGONAL",
2348 pdb_name = "P -4 c 2",
2349 symop_list = [
2350 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2351 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2352 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2353 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2354 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2355 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2356 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
2357 SymOp(Rot_mY_mX_mZ, Tr_0_0_12)])
2358
2359 sg117 = SpaceGroup(
2360 number = 117,
2361 num_sym_equiv = 8,
2362 num_primitive_sym_equiv = 8,
2363 short_name = "P-4b2",
2364 point_group_name = "PG4barm2",
2365 crystal_system = "TETRAGONAL",
2366 pdb_name = "P -4 b 2",
2367 symop_list = [
2368 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2369 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2370 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2371 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2372 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2373 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2374 SymOp(Rot_Y_X_mZ, Tr_12_12_0),
2375 SymOp(Rot_mY_mX_mZ, Tr_12_12_0)])
2376
2377 sg118 = SpaceGroup(
2378 number = 118,
2379 num_sym_equiv = 8,
2380 num_primitive_sym_equiv = 8,
2381 short_name = "P-4n2",
2382 point_group_name = "PG4barm2",
2383 crystal_system = "TETRAGONAL",
2384 pdb_name = "P -4 n 2",
2385 symop_list = [
2386 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2387 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2388 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2389 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2390 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2391 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2392 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
2393 SymOp(Rot_mY_mX_mZ, Tr_12_12_12)])
2394
2395 sg119 = SpaceGroup(
2396 number = 119,
2397 num_sym_equiv = 16,
2398 num_primitive_sym_equiv = 8,
2399 short_name = "I-4m2",
2400 point_group_name = "PG4barm2",
2401 crystal_system = "TETRAGONAL",
2402 pdb_name = "I -4 m 2",
2403 symop_list = [
2404 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2405 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2406 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2407 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2408 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2409 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2410 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2411 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
2412 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2413 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2414 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
2415 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
2416 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2417 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2418 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
2419 SymOp(Rot_mY_mX_mZ, Tr_12_12_12)])
2420
2421 sg120 = SpaceGroup(
2422 number = 120,
2423 num_sym_equiv = 16,
2424 num_primitive_sym_equiv = 8,
2425 short_name = "I-4c2",
2426 point_group_name = "PG4barm2",
2427 crystal_system = "TETRAGONAL",
2428 pdb_name = "I -4 c 2",
2429 symop_list = [
2430 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2431 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2432 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2433 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2434 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2435 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2436 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
2437 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
2438 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2439 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2440 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
2441 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
2442 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2443 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2444 SymOp(Rot_Y_X_mZ, Tr_12_12_0),
2445 SymOp(Rot_mY_mX_mZ, Tr_12_12_0)])
2446
2447 sg121 = SpaceGroup(
2448 number = 121,
2449 num_sym_equiv = 16,
2450 num_primitive_sym_equiv = 8,
2451 short_name = "I-42m",
2452 point_group_name = "PG4bar2m",
2453 crystal_system = "TETRAGONAL",
2454 pdb_name = "I -4 2 m",
2455 symop_list = [
2456 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2457 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2458 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2459 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2460 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
2461 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
2462 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2463 SymOp(Rot_Y_X_Z, Tr_0_0_0),
2464 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2465 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2466 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
2467 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
2468 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
2469 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
2470 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2471 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2472
2473 sg122 = SpaceGroup(
2474 number = 122,
2475 num_sym_equiv = 16,
2476 num_primitive_sym_equiv = 8,
2477 short_name = "I-42d",
2478 point_group_name = "PG4bar2m",
2479 crystal_system = "TETRAGONAL",
2480 pdb_name = "I -4 2 d",
2481 symop_list = [
2482 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2483 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2484 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2485 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2486 SymOp(Rot_mX_Y_mZ, Tr_12_0_34),
2487 SymOp(Rot_X_mY_mZ, Tr_12_0_34),
2488 SymOp(Rot_mY_mX_Z, Tr_12_0_34),
2489 SymOp(Rot_Y_X_Z, Tr_12_0_34),
2490 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2491 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2492 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
2493 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
2494 SymOp(Rot_mX_Y_mZ, Tr_0_12_14),
2495 SymOp(Rot_X_mY_mZ, Tr_0_12_14),
2496 SymOp(Rot_mY_mX_Z, Tr_0_12_14),
2497 SymOp(Rot_Y_X_Z, Tr_0_12_14)])
2498
2499 sg123 = SpaceGroup(
2500 number = 123,
2501 num_sym_equiv = 16,
2502 num_primitive_sym_equiv = 16,
2503 short_name = "P4/mmm",
2504 point_group_name = "PG4/mmm",
2505 crystal_system = "TETRAGONAL",
2506 pdb_name = "P 4/m 2/m 2/m",
2507 symop_list = [
2508 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2509 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2510 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2511 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2512 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
2513 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
2514 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2515 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
2516 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2517 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2518 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2519 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2520 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2521 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2522 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2523 SymOp(Rot_Y_X_Z, Tr_0_0_0)])
2524
2525 sg124 = SpaceGroup(
2526 number = 124,
2527 num_sym_equiv = 16,
2528 num_primitive_sym_equiv = 16,
2529 short_name = "P4/mcc",
2530 point_group_name = "PG4/mmm",
2531 crystal_system = "TETRAGONAL",
2532 pdb_name = "P 4/m 2/c 2/c",
2533 symop_list = [
2534 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2535 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2536 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2537 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2538 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
2539 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
2540 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
2541 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
2542 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2543 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2544 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2545 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2546 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2547 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2548 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
2549 SymOp(Rot_Y_X_Z, Tr_0_0_12)])
2550
2551 sg125 = SpaceGroup(
2552 number = 125,
2553 num_sym_equiv = 16,
2554 num_primitive_sym_equiv = 16,
2555 short_name = "P4/nbm",
2556 point_group_name = "PG4/mmm",
2557 crystal_system = "TETRAGONAL",
2558 pdb_name = "P 4/n 2/b 2/m",
2559 symop_list = [
2560 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2561 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2562 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2563 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2564 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
2565 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
2566 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2567 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
2568 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
2569 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
2570 SymOp(Rot_Y_mX_mZ, Tr_12_12_0),
2571 SymOp(Rot_mY_X_mZ, Tr_12_12_0),
2572 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2573 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2574 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
2575 SymOp(Rot_Y_X_Z, Tr_12_12_0)])
2576
2577 sg126 = SpaceGroup(
2578 number = 126,
2579 num_sym_equiv = 16,
2580 num_primitive_sym_equiv = 16,
2581 short_name = "P4/nnc",
2582 point_group_name = "PG4/mmm",
2583 crystal_system = "TETRAGONAL",
2584 pdb_name = "P 4/n 2/n 2/c",
2585 symop_list = [
2586 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2587 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2588 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2589 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2590 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
2591 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
2592 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2593 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
2594 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
2595 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
2596 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
2597 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
2598 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2599 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2600 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2601 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2602
2603 sg127 = SpaceGroup(
2604 number = 127,
2605 num_sym_equiv = 16,
2606 num_primitive_sym_equiv = 16,
2607 short_name = "P4/mbm",
2608 point_group_name = "PG4/mmm",
2609 crystal_system = "TETRAGONAL",
2610 pdb_name = "P 4/m 21/b 2/m",
2611 symop_list = [
2612 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2613 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2614 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2615 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2616 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
2617 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
2618 SymOp(Rot_Y_X_mZ, Tr_12_12_0),
2619 SymOp(Rot_mY_mX_mZ, Tr_12_12_0),
2620 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2621 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2622 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2623 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2624 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2625 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2626 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
2627 SymOp(Rot_Y_X_Z, Tr_12_12_0)])
2628
2629 sg128 = SpaceGroup(
2630 number = 128,
2631 num_sym_equiv = 16,
2632 num_primitive_sym_equiv = 16,
2633 short_name = "P4/mnc",
2634 point_group_name = "PG4/mmm",
2635 crystal_system = "TETRAGONAL",
2636 pdb_name = "P 4/m 21/n 2/c",
2637 symop_list = [
2638 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2639 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2640 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2641 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2642 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
2643 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
2644 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
2645 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
2646 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2647 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2648 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2649 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2650 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2651 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2652 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2653 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2654
2655 sg129 = SpaceGroup(
2656 number = 129,
2657 num_sym_equiv = 16,
2658 num_primitive_sym_equiv = 16,
2659 short_name = "P4/nmm",
2660 point_group_name = "PG4/mmm",
2661 crystal_system = "TETRAGONAL",
2662 pdb_name = "P 4/n 21/m 2/m",
2663 symop_list = [
2664 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2665 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2666 SymOp(Rot_mY_X_Z, Tr_12_12_0),
2667 SymOp(Rot_Y_mX_Z, Tr_12_12_0),
2668 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
2669 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
2670 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2671 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
2672 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
2673 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
2674 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2675 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2676 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2677 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2678 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
2679 SymOp(Rot_Y_X_Z, Tr_12_12_0)])
2680
2681 sg130 = SpaceGroup(
2682 number = 130,
2683 num_sym_equiv = 16,
2684 num_primitive_sym_equiv = 16,
2685 short_name = "P4/ncc",
2686 point_group_name = "PG4/mmm",
2687 crystal_system = "TETRAGONAL",
2688 pdb_name = "P 4/n 2/c 2/c",
2689 symop_list = [
2690 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2691 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2692 SymOp(Rot_mY_X_Z, Tr_12_12_0),
2693 SymOp(Rot_Y_mX_Z, Tr_12_12_0),
2694 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
2695 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
2696 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
2697 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
2698 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
2699 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
2700 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2701 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2702 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2703 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2704 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2705 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2706
2707 sg131 = SpaceGroup(
2708 number = 131,
2709 num_sym_equiv = 16,
2710 num_primitive_sym_equiv = 16,
2711 short_name = "P42/mmc",
2712 point_group_name = "PG4/mmm",
2713 crystal_system = "TETRAGONAL",
2714 pdb_name = "P 42/m 2/m 2/c",
2715 symop_list = [
2716 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2717 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2718 SymOp(Rot_mY_X_Z, Tr_0_0_12),
2719 SymOp(Rot_Y_mX_Z, Tr_0_0_12),
2720 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
2721 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
2722 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
2723 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
2724 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2725 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2726 SymOp(Rot_Y_mX_mZ, Tr_0_0_12),
2727 SymOp(Rot_mY_X_mZ, Tr_0_0_12),
2728 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2729 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2730 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
2731 SymOp(Rot_Y_X_Z, Tr_0_0_12)])
2732
2733 sg132 = SpaceGroup(
2734 number = 132,
2735 num_sym_equiv = 16,
2736 num_primitive_sym_equiv = 16,
2737 short_name = "P42/mcm",
2738 point_group_name = "PG4/mmm",
2739 crystal_system = "TETRAGONAL",
2740 pdb_name = "P 42/m 2/c 2/m",
2741 symop_list = [
2742 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2743 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2744 SymOp(Rot_mY_X_Z, Tr_0_0_12),
2745 SymOp(Rot_Y_mX_Z, Tr_0_0_12),
2746 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
2747 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
2748 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2749 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
2750 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2751 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2752 SymOp(Rot_Y_mX_mZ, Tr_0_0_12),
2753 SymOp(Rot_mY_X_mZ, Tr_0_0_12),
2754 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2755 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2756 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2757 SymOp(Rot_Y_X_Z, Tr_0_0_0)])
2758
2759 sg133 = SpaceGroup(
2760 number = 133,
2761 num_sym_equiv = 16,
2762 num_primitive_sym_equiv = 16,
2763 short_name = "P42/nbc",
2764 point_group_name = "PG4/mmm",
2765 crystal_system = "TETRAGONAL",
2766 pdb_name = "P 42/n 2/b 2/c",
2767 symop_list = [
2768 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2769 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2770 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2771 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2772 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
2773 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
2774 SymOp(Rot_Y_X_mZ, Tr_12_12_0),
2775 SymOp(Rot_mY_mX_mZ, Tr_12_12_0),
2776 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
2777 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
2778 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2779 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2780 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2781 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2782 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
2783 SymOp(Rot_Y_X_Z, Tr_0_0_12)])
2784
2785 sg134 = SpaceGroup(
2786 number = 134,
2787 num_sym_equiv = 16,
2788 num_primitive_sym_equiv = 16,
2789 short_name = "P42/nnm",
2790 point_group_name = "PG4/mmm",
2791 crystal_system = "TETRAGONAL",
2792 pdb_name = "P 42/n 2/n 2/m",
2793 symop_list = [
2794 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2795 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2796 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2797 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2798 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
2799 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
2800 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
2801 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
2802 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
2803 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
2804 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2805 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2806 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2807 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2808 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2809 SymOp(Rot_Y_X_Z, Tr_0_0_0)])
2810
2811 sg135 = SpaceGroup(
2812 number = 135,
2813 num_sym_equiv = 16,
2814 num_primitive_sym_equiv = 16,
2815 short_name = "P42/mbc",
2816 point_group_name = "PG4/mmm",
2817 crystal_system = "TETRAGONAL",
2818 pdb_name = "P 42/m 21/b 2/c",
2819 symop_list = [
2820 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2821 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2822 SymOp(Rot_mY_X_Z, Tr_0_0_12),
2823 SymOp(Rot_Y_mX_Z, Tr_0_0_12),
2824 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
2825 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
2826 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
2827 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
2828 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2829 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2830 SymOp(Rot_Y_mX_mZ, Tr_0_0_12),
2831 SymOp(Rot_mY_X_mZ, Tr_0_0_12),
2832 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2833 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2834 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2835 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2836
2837 sg136 = SpaceGroup(
2838 number = 136,
2839 num_sym_equiv = 16,
2840 num_primitive_sym_equiv = 16,
2841 short_name = "P42/mnm",
2842 point_group_name = "PG4/mmm",
2843 crystal_system = "TETRAGONAL",
2844 pdb_name = "P 42/m 21/n 2/m",
2845 symop_list = [
2846 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2847 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2848 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2849 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2850 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
2851 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
2852 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2853 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
2854 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2855 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2856 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
2857 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
2858 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2859 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2860 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2861 SymOp(Rot_Y_X_Z, Tr_0_0_0)])
2862
2863 sg137 = SpaceGroup(
2864 number = 137,
2865 num_sym_equiv = 16,
2866 num_primitive_sym_equiv = 16,
2867 short_name = "P42/nmc",
2868 point_group_name = "PG4/mmm",
2869 crystal_system = "TETRAGONAL",
2870 pdb_name = "P 42/n 21/m 2/c",
2871 symop_list = [
2872 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2873 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2874 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2875 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2876 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
2877 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
2878 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2879 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
2880 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
2881 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
2882 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2883 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2884 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2885 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2886 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2887 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2888
2889 sg138 = SpaceGroup(
2890 number = 138,
2891 num_sym_equiv = 16,
2892 num_primitive_sym_equiv = 16,
2893 short_name = "P42/ncm",
2894 point_group_name = "PG4/mmm",
2895 crystal_system = "TETRAGONAL",
2896 pdb_name = "P 42/n 21/c 2/m",
2897 symop_list = [
2898 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2899 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2900 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2901 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2902 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
2903 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
2904 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
2905 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
2906 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
2907 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
2908 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2909 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2910 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2911 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2912 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
2913 SymOp(Rot_Y_X_Z, Tr_12_12_0)])
2914
2915 sg139 = SpaceGroup(
2916 number = 139,
2917 num_sym_equiv = 32,
2918 num_primitive_sym_equiv = 16,
2919 short_name = "I4/mmm",
2920 point_group_name = "PG4/mmm",
2921 crystal_system = "TETRAGONAL",
2922 pdb_name = "I 4/m 2/m 2/m",
2923 symop_list = [
2924 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2925 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2926 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2927 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2928 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
2929 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
2930 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
2931 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
2932 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2933 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2934 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2935 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2936 SymOp(Rot_X_mY_Z, Tr_0_0_0),
2937 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
2938 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
2939 SymOp(Rot_Y_X_Z, Tr_0_0_0),
2940 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2941 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2942 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2943 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2944 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
2945 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
2946 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
2947 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
2948 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
2949 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
2950 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
2951 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
2952 SymOp(Rot_X_mY_Z, Tr_12_12_12),
2953 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
2954 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
2955 SymOp(Rot_Y_X_Z, Tr_12_12_12)])
2956
2957 sg140 = SpaceGroup(
2958 number = 140,
2959 num_sym_equiv = 32,
2960 num_primitive_sym_equiv = 16,
2961 short_name = "I4/mcm",
2962 point_group_name = "PG4/mmm",
2963 crystal_system = "TETRAGONAL",
2964 pdb_name = "I 4/m 2/c 2/m",
2965 symop_list = [
2966 SymOp(Rot_X_Y_Z, Tr_0_0_0),
2967 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
2968 SymOp(Rot_mY_X_Z, Tr_0_0_0),
2969 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
2970 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
2971 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
2972 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
2973 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
2974 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
2975 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
2976 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
2977 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
2978 SymOp(Rot_X_mY_Z, Tr_0_0_12),
2979 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
2980 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
2981 SymOp(Rot_Y_X_Z, Tr_0_0_12),
2982 SymOp(Rot_X_Y_Z, Tr_12_12_12),
2983 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
2984 SymOp(Rot_mY_X_Z, Tr_12_12_12),
2985 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
2986 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
2987 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
2988 SymOp(Rot_Y_X_mZ, Tr_12_12_0),
2989 SymOp(Rot_mY_mX_mZ, Tr_12_12_0),
2990 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
2991 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
2992 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
2993 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
2994 SymOp(Rot_X_mY_Z, Tr_12_12_0),
2995 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
2996 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
2997 SymOp(Rot_Y_X_Z, Tr_12_12_0)])
2998
2999 sg141 = SpaceGroup(
3000 number = 141,
3001 num_sym_equiv = 32,
3002 num_primitive_sym_equiv = 16,
3003 short_name = "I41/amd",
3004 point_group_name = "PG4/mmm",
3005 crystal_system = "TETRAGONAL",
3006 pdb_name = "I 41/a 2/m 2/d",
3007 symop_list = [
3008 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3009 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
3010 SymOp(Rot_mY_X_Z, Tr_0_12_14),
3011 SymOp(Rot_Y_mX_Z, Tr_12_0_34),
3012 SymOp(Rot_mX_Y_mZ, Tr_12_0_34),
3013 SymOp(Rot_X_mY_mZ, Tr_0_12_14),
3014 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
3015 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
3016 SymOp(Rot_mX_mY_mZ, Tr_0_12_14),
3017 SymOp(Rot_X_Y_mZ, Tr_12_0_34),
3018 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
3019 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
3020 SymOp(Rot_X_mY_Z, Tr_12_12_12),
3021 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
3022 SymOp(Rot_mY_mX_Z, Tr_12_0_34),
3023 SymOp(Rot_Y_X_Z, Tr_0_12_14),
3024 SymOp(Rot_X_Y_Z, Tr_12_12_12),
3025 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
3026 SymOp(Rot_mY_X_Z, Tr_12_0_34),
3027 SymOp(Rot_Y_mX_Z, Tr_0_12_14),
3028 SymOp(Rot_mX_Y_mZ, Tr_0_12_14),
3029 SymOp(Rot_X_mY_mZ, Tr_12_0_34),
3030 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
3031 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
3032 SymOp(Rot_mX_mY_mZ, Tr_12_0_34),
3033 SymOp(Rot_X_Y_mZ, Tr_0_12_14),
3034 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
3035 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
3036 SymOp(Rot_X_mY_Z, Tr_0_0_0),
3037 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
3038 SymOp(Rot_mY_mX_Z, Tr_0_12_14),
3039 SymOp(Rot_Y_X_Z, Tr_12_0_34)])
3040
3041 sg142 = SpaceGroup(
3042 number = 142,
3043 num_sym_equiv = 32,
3044 num_primitive_sym_equiv = 16,
3045 short_name = "I41/acd",
3046 point_group_name = "PG4/mmm",
3047 crystal_system = "TETRAGONAL",
3048 pdb_name = "I 41/a 2/c 2/d",
3049 symop_list = [
3050 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3051 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
3052 SymOp(Rot_mY_X_Z, Tr_0_12_14),
3053 SymOp(Rot_Y_mX_Z, Tr_12_0_34),
3054 SymOp(Rot_mX_Y_mZ, Tr_12_0_14),
3055 SymOp(Rot_X_mY_mZ, Tr_0_12_34),
3056 SymOp(Rot_Y_X_mZ, Tr_12_12_0),
3057 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
3058 SymOp(Rot_mX_mY_mZ, Tr_0_12_14),
3059 SymOp(Rot_X_Y_mZ, Tr_12_0_34),
3060 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
3061 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
3062 SymOp(Rot_X_mY_Z, Tr_12_12_0),
3063 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
3064 SymOp(Rot_mY_mX_Z, Tr_12_0_14),
3065 SymOp(Rot_Y_X_Z, Tr_0_12_34),
3066 SymOp(Rot_X_Y_Z, Tr_12_12_12),
3067 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
3068 SymOp(Rot_mY_X_Z, Tr_12_0_34),
3069 SymOp(Rot_Y_mX_Z, Tr_0_12_14),
3070 SymOp(Rot_mX_Y_mZ, Tr_0_12_34),
3071 SymOp(Rot_X_mY_mZ, Tr_12_0_14),
3072 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
3073 SymOp(Rot_mY_mX_mZ, Tr_12_12_0),
3074 SymOp(Rot_mX_mY_mZ, Tr_12_0_34),
3075 SymOp(Rot_X_Y_mZ, Tr_0_12_14),
3076 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
3077 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
3078 SymOp(Rot_X_mY_Z, Tr_0_0_12),
3079 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
3080 SymOp(Rot_mY_mX_Z, Tr_0_12_34),
3081 SymOp(Rot_Y_X_Z, Tr_12_0_14)])
3082
3083 sg143 = SpaceGroup(
3084 number = 143,
3085 num_sym_equiv = 3,
3086 num_primitive_sym_equiv = 3,
3087 short_name = "P3",
3088 point_group_name = "PG3",
3089 crystal_system = "TRIGONAL",
3090 pdb_name = "P 3",
3091 symop_list = [
3092 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3093 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3094 SymOp(Rot_mXY_mX_Z, Tr_0_0_0)])
3095
3096 sg144 = SpaceGroup(
3097 number = 144,
3098 num_sym_equiv = 3,
3099 num_primitive_sym_equiv = 3,
3100 short_name = "P31",
3101 point_group_name = "PG3",
3102 crystal_system = "TRIGONAL",
3103 pdb_name = "P 31",
3104 symop_list = [
3105 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3106 SymOp(Rot_mY_XmY_Z, Tr_0_0_13),
3107 SymOp(Rot_mXY_mX_Z, Tr_0_0_23)])
3108
3109 sg145 = SpaceGroup(
3110 number = 145,
3111 num_sym_equiv = 3,
3112 num_primitive_sym_equiv = 3,
3113 short_name = "P32",
3114 point_group_name = "PG3",
3115 crystal_system = "TRIGONAL",
3116 pdb_name = "P 32",
3117 symop_list = [
3118 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3119 SymOp(Rot_mY_XmY_Z, Tr_0_0_23),
3120 SymOp(Rot_mXY_mX_Z, Tr_0_0_13)])
3121
3122 sg146 = SpaceGroup(
3123 number = 146,
3124 num_sym_equiv = 9,
3125 num_primitive_sym_equiv = 3,
3126 short_name = "H3",
3127 point_group_name = "PG3",
3128 crystal_system = "TRIGONAL",
3129 pdb_name = "H 3",
3130 symop_list = [
3131 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3132 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3133 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3134 SymOp(Rot_X_Y_Z, Tr_23_13_13),
3135 SymOp(Rot_mY_XmY_Z, Tr_23_13_13),
3136 SymOp(Rot_mXY_mX_Z, Tr_23_13_13),
3137 SymOp(Rot_X_Y_Z, Tr_13_23_23),
3138 SymOp(Rot_mY_XmY_Z, Tr_13_23_23),
3139 SymOp(Rot_mXY_mX_Z, Tr_13_23_23)])
3140
3141 sg1146 = SpaceGroup(
3142 number = 1146,
3143 num_sym_equiv = 3,
3144 num_primitive_sym_equiv = 3,
3145 short_name = "R3",
3146 point_group_name = "PG3",
3147 crystal_system = "TRIGONAL",
3148 pdb_name = "R 3",
3149 symop_list = [
3150 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3151 SymOp(Rot_Z_X_Y, Tr_0_0_0),
3152 SymOp(Rot_Y_Z_X, Tr_0_0_0)])
3153
3154 sg147 = SpaceGroup(
3155 number = 147,
3156 num_sym_equiv = 6,
3157 num_primitive_sym_equiv = 6,
3158 short_name = "P-3",
3159 point_group_name = "PG3bar",
3160 crystal_system = "TRIGONAL",
3161 pdb_name = "P -3",
3162 symop_list = [
3163 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3164 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3165 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3166 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3167 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3168 SymOp(Rot_XmY_X_mZ, Tr_0_0_0)])
3169
3170 sg148 = SpaceGroup(
3171 number = 148,
3172 num_sym_equiv = 18,
3173 num_primitive_sym_equiv = 6,
3174 short_name = "H-3",
3175 point_group_name = "PG3bar",
3176 crystal_system = "TRIGONAL",
3177 pdb_name = "H -3",
3178 symop_list = [
3179 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3180 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3181 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3182 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3183 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3184 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
3185 SymOp(Rot_X_Y_Z, Tr_23_13_13),
3186 SymOp(Rot_mY_XmY_Z, Tr_23_13_13),
3187 SymOp(Rot_mXY_mX_Z, Tr_23_13_13),
3188 SymOp(Rot_mX_mY_mZ, Tr_23_13_13),
3189 SymOp(Rot_Y_mXY_mZ, Tr_23_13_13),
3190 SymOp(Rot_XmY_X_mZ, Tr_23_13_13),
3191 SymOp(Rot_X_Y_Z, Tr_13_23_23),
3192 SymOp(Rot_mY_XmY_Z, Tr_13_23_23),
3193 SymOp(Rot_mXY_mX_Z, Tr_13_23_23),
3194 SymOp(Rot_mX_mY_mZ, Tr_13_23_23),
3195 SymOp(Rot_Y_mXY_mZ, Tr_13_23_23),
3196 SymOp(Rot_XmY_X_mZ, Tr_13_23_23)])
3197
3198 sg1148 = SpaceGroup(
3199 number = 1148,
3200 num_sym_equiv = 6,
3201 num_primitive_sym_equiv = 6,
3202 short_name = "R-3",
3203 point_group_name = "PG3bar",
3204 crystal_system = "TRIGONAL",
3205 pdb_name = "R -3",
3206 symop_list = [
3207 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3208 SymOp(Rot_Z_X_Y, Tr_0_0_0),
3209 SymOp(Rot_Y_Z_X, Tr_0_0_0),
3210 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3211 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
3212 SymOp(Rot_mY_mZ_mX, Tr_0_0_0)])
3213
3214 sg149 = SpaceGroup(
3215 number = 149,
3216 num_sym_equiv = 6,
3217 num_primitive_sym_equiv = 6,
3218 short_name = "P312",
3219 point_group_name = "PG312",
3220 crystal_system = "TRIGONAL",
3221 pdb_name = "P 3 1 2",
3222 symop_list = [
3223 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3224 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3225 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3226 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
3227 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0),
3228 SymOp(Rot_X_XmY_mZ, Tr_0_0_0)])
3229
3230 sg150 = SpaceGroup(
3231 number = 150,
3232 num_sym_equiv = 6,
3233 num_primitive_sym_equiv = 6,
3234 short_name = "P321",
3235 point_group_name = "PG321",
3236 crystal_system = "TRIGONAL",
3237 pdb_name = "P 3 2 1",
3238 symop_list = [
3239 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3240 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3241 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3242 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
3243 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
3244 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0)])
3245
3246 sg151 = SpaceGroup(
3247 number = 151,
3248 num_sym_equiv = 6,
3249 num_primitive_sym_equiv = 6,
3250 short_name = "P3112",
3251 point_group_name = "PG312",
3252 crystal_system = "TRIGONAL",
3253 pdb_name = "P 31 1 2",
3254 symop_list = [
3255 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3256 SymOp(Rot_mY_XmY_Z, Tr_0_0_13),
3257 SymOp(Rot_mXY_mX_Z, Tr_0_0_23),
3258 SymOp(Rot_mY_mX_mZ, Tr_0_0_23),
3259 SymOp(Rot_mXY_Y_mZ, Tr_0_0_13),
3260 SymOp(Rot_X_XmY_mZ, Tr_0_0_0)])
3261
3262 sg152 = SpaceGroup(
3263 number = 152,
3264 num_sym_equiv = 6,
3265 num_primitive_sym_equiv = 6,
3266 short_name = "P3121",
3267 point_group_name = "PG321",
3268 crystal_system = "TRIGONAL",
3269 pdb_name = "P 31 2 1",
3270 symop_list = [
3271 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3272 SymOp(Rot_mY_XmY_Z, Tr_0_0_13),
3273 SymOp(Rot_mXY_mX_Z, Tr_0_0_23),
3274 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
3275 SymOp(Rot_XmY_mY_mZ, Tr_0_0_23),
3276 SymOp(Rot_mX_mXY_mZ, Tr_0_0_13)])
3277
3278 sg153 = SpaceGroup(
3279 number = 153,
3280 num_sym_equiv = 6,
3281 num_primitive_sym_equiv = 6,
3282 short_name = "P3212",
3283 point_group_name = "PG312",
3284 crystal_system = "TRIGONAL",
3285 pdb_name = "P 32 1 2",
3286 symop_list = [
3287 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3288 SymOp(Rot_mY_XmY_Z, Tr_0_0_23),
3289 SymOp(Rot_mXY_mX_Z, Tr_0_0_13),
3290 SymOp(Rot_mY_mX_mZ, Tr_0_0_13),
3291 SymOp(Rot_mXY_Y_mZ, Tr_0_0_23),
3292 SymOp(Rot_X_XmY_mZ, Tr_0_0_0)])
3293
3294 sg154 = SpaceGroup(
3295 number = 154,
3296 num_sym_equiv = 6,
3297 num_primitive_sym_equiv = 6,
3298 short_name = "P3221",
3299 point_group_name = "PG321",
3300 crystal_system = "TRIGONAL",
3301 pdb_name = "P 32 2 1",
3302 symop_list = [
3303 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3304 SymOp(Rot_mY_XmY_Z, Tr_0_0_23),
3305 SymOp(Rot_mXY_mX_Z, Tr_0_0_13),
3306 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
3307 SymOp(Rot_XmY_mY_mZ, Tr_0_0_13),
3308 SymOp(Rot_mX_mXY_mZ, Tr_0_0_23)])
3309
3310 sg155 = SpaceGroup(
3311 number = 155,
3312 num_sym_equiv = 18,
3313 num_primitive_sym_equiv = 6,
3314 short_name = "H32",
3315 point_group_name = "PG321",
3316 crystal_system = "TRIGONAL",
3317 pdb_name = "H 3 2",
3318 symop_list = [
3319 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3320 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3321 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3322 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
3323 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
3324 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0),
3325 SymOp(Rot_X_Y_Z, Tr_23_13_13),
3326 SymOp(Rot_mY_XmY_Z, Tr_23_13_13),
3327 SymOp(Rot_mXY_mX_Z, Tr_23_13_13),
3328 SymOp(Rot_Y_X_mZ, Tr_23_13_13),
3329 SymOp(Rot_XmY_mY_mZ, Tr_23_13_13),
3330 SymOp(Rot_mX_mXY_mZ, Tr_23_13_13),
3331 SymOp(Rot_X_Y_Z, Tr_13_23_23),
3332 SymOp(Rot_mY_XmY_Z, Tr_13_23_23),
3333 SymOp(Rot_mXY_mX_Z, Tr_13_23_23),
3334 SymOp(Rot_Y_X_mZ, Tr_13_23_23),
3335 SymOp(Rot_XmY_mY_mZ, Tr_13_23_23),
3336 SymOp(Rot_mX_mXY_mZ, Tr_13_23_23)])
3337
3338 sg1155 = SpaceGroup(
3339 number = 1155,
3340 num_sym_equiv = 6,
3341 num_primitive_sym_equiv = 6,
3342 short_name = "R32",
3343 point_group_name = "PG32",
3344 crystal_system = "TRIGONAL",
3345 pdb_name = "R 3 2",
3346 symop_list = [
3347 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3348 SymOp(Rot_Z_X_Y, Tr_0_0_0),
3349 SymOp(Rot_Y_Z_X, Tr_0_0_0),
3350 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
3351 SymOp(Rot_mX_mZ_mY, Tr_0_0_0),
3352 SymOp(Rot_mZ_mY_mX, Tr_0_0_0)])
3353
3354 sg156 = SpaceGroup(
3355 number = 156,
3356 num_sym_equiv = 6,
3357 num_primitive_sym_equiv = 6,
3358 short_name = "P3m1",
3359 point_group_name = "PG3m1",
3360 crystal_system = "TRIGONAL",
3361 pdb_name = "P 3 m 1",
3362 symop_list = [
3363 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3364 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3365 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3366 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
3367 SymOp(Rot_mXY_Y_Z, Tr_0_0_0),
3368 SymOp(Rot_X_XmY_Z, Tr_0_0_0)])
3369
3370 sg157 = SpaceGroup(
3371 number = 157,
3372 num_sym_equiv = 6,
3373 num_primitive_sym_equiv = 6,
3374 short_name = "P31m",
3375 point_group_name = "PG31m",
3376 crystal_system = "TRIGONAL",
3377 pdb_name = "P 3 1 m",
3378 symop_list = [
3379 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3380 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3381 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3382 SymOp(Rot_Y_X_Z, Tr_0_0_0),
3383 SymOp(Rot_XmY_mY_Z, Tr_0_0_0),
3384 SymOp(Rot_mX_mXY_Z, Tr_0_0_0)])
3385
3386 sg158 = SpaceGroup(
3387 number = 158,
3388 num_sym_equiv = 6,
3389 num_primitive_sym_equiv = 6,
3390 short_name = "P3c1",
3391 point_group_name = "PG3m1",
3392 crystal_system = "TRIGONAL",
3393 pdb_name = "P 3 c 1",
3394 symop_list = [
3395 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3396 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3397 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3398 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
3399 SymOp(Rot_mXY_Y_Z, Tr_0_0_12),
3400 SymOp(Rot_X_XmY_Z, Tr_0_0_12)])
3401
3402 sg159 = SpaceGroup(
3403 number = 159,
3404 num_sym_equiv = 6,
3405 num_primitive_sym_equiv = 6,
3406 short_name = "P31c",
3407 point_group_name = "PG31m",
3408 crystal_system = "TRIGONAL",
3409 pdb_name = "P 3 1 c",
3410 symop_list = [
3411 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3412 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3413 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3414 SymOp(Rot_Y_X_Z, Tr_0_0_12),
3415 SymOp(Rot_XmY_mY_Z, Tr_0_0_12),
3416 SymOp(Rot_mX_mXY_Z, Tr_0_0_12)])
3417
3418 sg160 = SpaceGroup(
3419 number = 160,
3420 num_sym_equiv = 18,
3421 num_primitive_sym_equiv = 6,
3422 short_name = "H3m",
3423 point_group_name = "PG3m",
3424 crystal_system = "TRIGONAL",
3425 pdb_name = "H 3 m",
3426 symop_list = [
3427 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3428 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3429 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3430 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
3431 SymOp(Rot_mXY_Y_Z, Tr_0_0_0),
3432 SymOp(Rot_X_XmY_Z, Tr_0_0_0),
3433 SymOp(Rot_X_Y_Z, Tr_23_13_13),
3434 SymOp(Rot_mY_XmY_Z, Tr_23_13_13),
3435 SymOp(Rot_mXY_mX_Z, Tr_23_13_13),
3436 SymOp(Rot_mY_mX_Z, Tr_23_13_13),
3437 SymOp(Rot_mXY_Y_Z, Tr_23_13_13),
3438 SymOp(Rot_X_XmY_Z, Tr_23_13_13),
3439 SymOp(Rot_X_Y_Z, Tr_13_23_23),
3440 SymOp(Rot_mY_XmY_Z, Tr_13_23_23),
3441 SymOp(Rot_mXY_mX_Z, Tr_13_23_23),
3442 SymOp(Rot_mY_mX_Z, Tr_13_23_23),
3443 SymOp(Rot_mXY_Y_Z, Tr_13_23_23),
3444 SymOp(Rot_X_XmY_Z, Tr_13_23_23)])
3445
3446 sg1160 = SpaceGroup(
3447 number = 1160,
3448 num_sym_equiv = 6,
3449 num_primitive_sym_equiv = 6,
3450 short_name = "R3m",
3451 point_group_name = "PG3m",
3452 crystal_system = "TRIGONAL",
3453 pdb_name = "R 3 m",
3454 symop_list = [
3455 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3456 SymOp(Rot_Z_X_Y, Tr_0_0_0),
3457 SymOp(Rot_Y_Z_X, Tr_0_0_0),
3458 SymOp(Rot_Y_X_Z, Tr_0_0_0),
3459 SymOp(Rot_X_Z_Y, Tr_0_0_0),
3460 SymOp(Rot_Z_Y_X, Tr_0_0_0)])
3461
3462 sg161 = SpaceGroup(
3463 number = 161,
3464 num_sym_equiv = 18,
3465 num_primitive_sym_equiv = 6,
3466 short_name = "H3c",
3467 point_group_name = "PG3m",
3468 crystal_system = "TRIGONAL",
3469 pdb_name = "H 3 c",
3470 symop_list = [
3471 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3472 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3473 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3474 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
3475 SymOp(Rot_mXY_Y_Z, Tr_0_0_12),
3476 SymOp(Rot_X_XmY_Z, Tr_0_0_12),
3477 SymOp(Rot_X_Y_Z, Tr_23_13_13),
3478 SymOp(Rot_mY_XmY_Z, Tr_23_13_13),
3479 SymOp(Rot_mXY_mX_Z, Tr_23_13_13),
3480 SymOp(Rot_mY_mX_Z, Tr_23_13_56),
3481 SymOp(Rot_mXY_Y_Z, Tr_23_13_56),
3482 SymOp(Rot_X_XmY_Z, Tr_23_13_56),
3483 SymOp(Rot_X_Y_Z, Tr_13_23_23),
3484 SymOp(Rot_mY_XmY_Z, Tr_13_23_23),
3485 SymOp(Rot_mXY_mX_Z, Tr_13_23_23),
3486 SymOp(Rot_mY_mX_Z, Tr_13_23_16),
3487 SymOp(Rot_mXY_Y_Z, Tr_13_23_16),
3488 SymOp(Rot_X_XmY_Z, Tr_13_23_16)])
3489
3490 sg1161 = SpaceGroup(
3491 number = 1161,
3492 num_sym_equiv = 6,
3493 num_primitive_sym_equiv = 6,
3494 short_name = "R3c",
3495 point_group_name = "PG3m",
3496 crystal_system = "TRIGONAL",
3497 pdb_name = "R 3 c",
3498 symop_list = [
3499 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3500 SymOp(Rot_Z_X_Y, Tr_0_0_0),
3501 SymOp(Rot_Y_Z_X, Tr_0_0_0),
3502 SymOp(Rot_Y_X_Z, Tr_12_12_12),
3503 SymOp(Rot_X_Z_Y, Tr_12_12_12),
3504 SymOp(Rot_Z_Y_X, Tr_12_12_12)])
3505
3506 sg162 = SpaceGroup(
3507 number = 162,
3508 num_sym_equiv = 12,
3509 num_primitive_sym_equiv = 12,
3510 short_name = "P-31m",
3511 point_group_name = "PG3bar1m",
3512 crystal_system = "TRIGONAL",
3513 pdb_name = "P -3 1 2/m",
3514 symop_list = [
3515 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3516 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3517 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3518 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
3519 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0),
3520 SymOp(Rot_X_XmY_mZ, Tr_0_0_0),
3521 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3522 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3523 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
3524 SymOp(Rot_Y_X_Z, Tr_0_0_0),
3525 SymOp(Rot_XmY_mY_Z, Tr_0_0_0),
3526 SymOp(Rot_mX_mXY_Z, Tr_0_0_0)])
3527
3528 sg163 = SpaceGroup(
3529 number = 163,
3530 num_sym_equiv = 12,
3531 num_primitive_sym_equiv = 12,
3532 short_name = "P-31c",
3533 point_group_name = "PG3bar1m",
3534 crystal_system = "TRIGONAL",
3535 pdb_name = "P -3 1 2/c",
3536 symop_list = [
3537 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3538 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3539 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3540 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
3541 SymOp(Rot_mXY_Y_mZ, Tr_0_0_12),
3542 SymOp(Rot_X_XmY_mZ, Tr_0_0_12),
3543 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3544 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3545 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
3546 SymOp(Rot_Y_X_Z, Tr_0_0_12),
3547 SymOp(Rot_XmY_mY_Z, Tr_0_0_12),
3548 SymOp(Rot_mX_mXY_Z, Tr_0_0_12)])
3549
3550 sg164 = SpaceGroup(
3551 number = 164,
3552 num_sym_equiv = 12,
3553 num_primitive_sym_equiv = 12,
3554 short_name = "P-3m1",
3555 point_group_name = "PG3barm1",
3556 crystal_system = "TRIGONAL",
3557 pdb_name = "P -3 2/m 1",
3558 symop_list = [
3559 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3560 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3561 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3562 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
3563 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
3564 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0),
3565 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3566 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3567 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
3568 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
3569 SymOp(Rot_mXY_Y_Z, Tr_0_0_0),
3570 SymOp(Rot_X_XmY_Z, Tr_0_0_0)])
3571
3572 sg165 = SpaceGroup(
3573 number = 165,
3574 num_sym_equiv = 12,
3575 num_primitive_sym_equiv = 12,
3576 short_name = "P-3c1",
3577 point_group_name = "PG3barm1",
3578 crystal_system = "TRIGONAL",
3579 pdb_name = "P -3 2/c 1",
3580 symop_list = [
3581 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3582 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3583 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3584 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
3585 SymOp(Rot_XmY_mY_mZ, Tr_0_0_12),
3586 SymOp(Rot_mX_mXY_mZ, Tr_0_0_12),
3587 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3588 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3589 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
3590 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
3591 SymOp(Rot_mXY_Y_Z, Tr_0_0_12),
3592 SymOp(Rot_X_XmY_Z, Tr_0_0_12)])
3593
3594 sg166 = SpaceGroup(
3595 number = 166,
3596 num_sym_equiv = 36,
3597 num_primitive_sym_equiv = 12,
3598 short_name = "H-3m",
3599 point_group_name = "PG3barm",
3600 crystal_system = "TRIGONAL",
3601 pdb_name = "H -3 2/m",
3602 symop_list = [
3603 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3604 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3605 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3606 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
3607 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
3608 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0),
3609 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3610 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3611 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
3612 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
3613 SymOp(Rot_mXY_Y_Z, Tr_0_0_0),
3614 SymOp(Rot_X_XmY_Z, Tr_0_0_0),
3615 SymOp(Rot_X_Y_Z, Tr_23_13_13),
3616 SymOp(Rot_mY_XmY_Z, Tr_23_13_13),
3617 SymOp(Rot_mXY_mX_Z, Tr_23_13_13),
3618 SymOp(Rot_Y_X_mZ, Tr_23_13_13),
3619 SymOp(Rot_XmY_mY_mZ, Tr_23_13_13),
3620 SymOp(Rot_mX_mXY_mZ, Tr_23_13_13),
3621 SymOp(Rot_mX_mY_mZ, Tr_23_13_13),
3622 SymOp(Rot_Y_mXY_mZ, Tr_23_13_13),
3623 SymOp(Rot_XmY_X_mZ, Tr_23_13_13),
3624 SymOp(Rot_mY_mX_Z, Tr_23_13_13),
3625 SymOp(Rot_mXY_Y_Z, Tr_23_13_13),
3626 SymOp(Rot_X_XmY_Z, Tr_23_13_13),
3627 SymOp(Rot_X_Y_Z, Tr_13_23_23),
3628 SymOp(Rot_mY_XmY_Z, Tr_13_23_23),
3629 SymOp(Rot_mXY_mX_Z, Tr_13_23_23),
3630 SymOp(Rot_Y_X_mZ, Tr_13_23_23),
3631 SymOp(Rot_XmY_mY_mZ, Tr_13_23_23),
3632 SymOp(Rot_mX_mXY_mZ, Tr_13_23_23),
3633 SymOp(Rot_mX_mY_mZ, Tr_13_23_23),
3634 SymOp(Rot_Y_mXY_mZ, Tr_13_23_23),
3635 SymOp(Rot_XmY_X_mZ, Tr_13_23_23),
3636 SymOp(Rot_mY_mX_Z, Tr_13_23_23),
3637 SymOp(Rot_mXY_Y_Z, Tr_13_23_23),
3638 SymOp(Rot_X_XmY_Z, Tr_13_23_23)])
3639
3640 sg1166 = SpaceGroup(
3641 number = 1166,
3642 num_sym_equiv = 12,
3643 num_primitive_sym_equiv = 12,
3644 short_name = "R-3m",
3645 point_group_name = "PG3barm",
3646 crystal_system = "TRIGONAL",
3647 pdb_name = "R -3 2/m",
3648 symop_list = [
3649 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3650 SymOp(Rot_Z_X_Y, Tr_0_0_0),
3651 SymOp(Rot_Y_Z_X, Tr_0_0_0),
3652 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
3653 SymOp(Rot_mX_mZ_mY, Tr_0_0_0),
3654 SymOp(Rot_mZ_mY_mX, Tr_0_0_0),
3655 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3656 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
3657 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
3658 SymOp(Rot_Y_X_Z, Tr_0_0_0),
3659 SymOp(Rot_X_Z_Y, Tr_0_0_0),
3660 SymOp(Rot_Z_Y_X, Tr_0_0_0)])
3661
3662 sg167 = SpaceGroup(
3663 number = 167,
3664 num_sym_equiv = 36,
3665 num_primitive_sym_equiv = 12,
3666 short_name = "H-3c",
3667 point_group_name = "PG3barm",
3668 crystal_system = "TRIGONAL",
3669 pdb_name = "H -3 2/c",
3670 symop_list = [
3671 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3672 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3673 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3674 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
3675 SymOp(Rot_XmY_mY_mZ, Tr_0_0_12),
3676 SymOp(Rot_mX_mXY_mZ, Tr_0_0_12),
3677 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3678 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3679 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
3680 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
3681 SymOp(Rot_mXY_Y_Z, Tr_0_0_12),
3682 SymOp(Rot_X_XmY_Z, Tr_0_0_12),
3683 SymOp(Rot_X_Y_Z, Tr_23_13_13),
3684 SymOp(Rot_mY_XmY_Z, Tr_23_13_13),
3685 SymOp(Rot_mXY_mX_Z, Tr_23_13_13),
3686 SymOp(Rot_Y_X_mZ, Tr_23_13_56),
3687 SymOp(Rot_XmY_mY_mZ, Tr_23_13_56),
3688 SymOp(Rot_mX_mXY_mZ, Tr_23_13_56),
3689 SymOp(Rot_mX_mY_mZ, Tr_23_13_13),
3690 SymOp(Rot_Y_mXY_mZ, Tr_23_13_13),
3691 SymOp(Rot_XmY_X_mZ, Tr_23_13_13),
3692 SymOp(Rot_mY_mX_Z, Tr_23_13_56),
3693 SymOp(Rot_mXY_Y_Z, Tr_23_13_56),
3694 SymOp(Rot_X_XmY_Z, Tr_23_13_56),
3695 SymOp(Rot_X_Y_Z, Tr_13_23_23),
3696 SymOp(Rot_mY_XmY_Z, Tr_13_23_23),
3697 SymOp(Rot_mXY_mX_Z, Tr_13_23_23),
3698 SymOp(Rot_Y_X_mZ, Tr_13_23_16),
3699 SymOp(Rot_XmY_mY_mZ, Tr_13_23_16),
3700 SymOp(Rot_mX_mXY_mZ, Tr_13_23_16),
3701 SymOp(Rot_mX_mY_mZ, Tr_13_23_23),
3702 SymOp(Rot_Y_mXY_mZ, Tr_13_23_23),
3703 SymOp(Rot_XmY_X_mZ, Tr_13_23_23),
3704 SymOp(Rot_mY_mX_Z, Tr_13_23_16),
3705 SymOp(Rot_mXY_Y_Z, Tr_13_23_16),
3706 SymOp(Rot_X_XmY_Z, Tr_13_23_16)])
3707
3708 sg1167 = SpaceGroup(
3709 number = 1167,
3710 num_sym_equiv = 12,
3711 num_primitive_sym_equiv = 12,
3712 short_name = "R-3c",
3713 point_group_name = "PG3barm",
3714 crystal_system = "TRIGONAL",
3715 pdb_name = "R -3 2/c",
3716 symop_list = [
3717 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3718 SymOp(Rot_Z_X_Y, Tr_0_0_0),
3719 SymOp(Rot_Y_Z_X, Tr_0_0_0),
3720 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
3721 SymOp(Rot_mX_mZ_mY, Tr_12_12_12),
3722 SymOp(Rot_mZ_mY_mX, Tr_12_12_12),
3723 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3724 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
3725 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
3726 SymOp(Rot_Y_X_Z, Tr_12_12_12),
3727 SymOp(Rot_X_Z_Y, Tr_12_12_12),
3728 SymOp(Rot_Z_Y_X, Tr_12_12_12)])
3729
3730 sg168 = SpaceGroup(
3731 number = 168,
3732 num_sym_equiv = 6,
3733 num_primitive_sym_equiv = 6,
3734 short_name = "P6",
3735 point_group_name = "PG6",
3736 crystal_system = "HEXAGONAL",
3737 pdb_name = "P 6",
3738 symop_list = [
3739 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3740 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3741 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3742 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
3743 SymOp(Rot_Y_mXY_Z, Tr_0_0_0),
3744 SymOp(Rot_XmY_X_Z, Tr_0_0_0)])
3745
3746 sg169 = SpaceGroup(
3747 number = 169,
3748 num_sym_equiv = 6,
3749 num_primitive_sym_equiv = 6,
3750 short_name = "P61",
3751 point_group_name = "PG6",
3752 crystal_system = "HEXAGONAL",
3753 pdb_name = "P 61",
3754 symop_list = [
3755 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3756 SymOp(Rot_mY_XmY_Z, Tr_0_0_13),
3757 SymOp(Rot_mXY_mX_Z, Tr_0_0_23),
3758 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
3759 SymOp(Rot_Y_mXY_Z, Tr_0_0_56),
3760 SymOp(Rot_XmY_X_Z, Tr_0_0_16)])
3761
3762 sg170 = SpaceGroup(
3763 number = 170,
3764 num_sym_equiv = 6,
3765 num_primitive_sym_equiv = 6,
3766 short_name = "P65",
3767 point_group_name = "PG6",
3768 crystal_system = "HEXAGONAL",
3769 pdb_name = "P 65",
3770 symop_list = [
3771 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3772 SymOp(Rot_mY_XmY_Z, Tr_0_0_23),
3773 SymOp(Rot_mXY_mX_Z, Tr_0_0_13),
3774 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
3775 SymOp(Rot_Y_mXY_Z, Tr_0_0_16),
3776 SymOp(Rot_XmY_X_Z, Tr_0_0_56)])
3777
3778 sg171 = SpaceGroup(
3779 number = 171,
3780 num_sym_equiv = 6,
3781 num_primitive_sym_equiv = 6,
3782 short_name = "P62",
3783 point_group_name = "PG6",
3784 crystal_system = "HEXAGONAL",
3785 pdb_name = "P 62",
3786 symop_list = [
3787 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3788 SymOp(Rot_mY_XmY_Z, Tr_0_0_23),
3789 SymOp(Rot_mXY_mX_Z, Tr_0_0_13),
3790 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
3791 SymOp(Rot_Y_mXY_Z, Tr_0_0_23),
3792 SymOp(Rot_XmY_X_Z, Tr_0_0_13)])
3793
3794 sg172 = SpaceGroup(
3795 number = 172,
3796 num_sym_equiv = 6,
3797 num_primitive_sym_equiv = 6,
3798 short_name = "P64",
3799 point_group_name = "PG6",
3800 crystal_system = "HEXAGONAL",
3801 pdb_name = "P 64",
3802 symop_list = [
3803 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3804 SymOp(Rot_mY_XmY_Z, Tr_0_0_13),
3805 SymOp(Rot_mXY_mX_Z, Tr_0_0_23),
3806 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
3807 SymOp(Rot_Y_mXY_Z, Tr_0_0_13),
3808 SymOp(Rot_XmY_X_Z, Tr_0_0_23)])
3809
3810 sg173 = SpaceGroup(
3811 number = 173,
3812 num_sym_equiv = 6,
3813 num_primitive_sym_equiv = 6,
3814 short_name = "P63",
3815 point_group_name = "PG6",
3816 crystal_system = "HEXAGONAL",
3817 pdb_name = "P 63",
3818 symop_list = [
3819 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3820 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3821 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3822 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
3823 SymOp(Rot_Y_mXY_Z, Tr_0_0_12),
3824 SymOp(Rot_XmY_X_Z, Tr_0_0_12)])
3825
3826 sg174 = SpaceGroup(
3827 number = 174,
3828 num_sym_equiv = 6,
3829 num_primitive_sym_equiv = 6,
3830 short_name = "P-6",
3831 point_group_name = "PG6bar",
3832 crystal_system = "HEXAGONAL",
3833 pdb_name = "P -6",
3834 symop_list = [
3835 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3836 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3837 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3838 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
3839 SymOp(Rot_mY_XmY_mZ, Tr_0_0_0),
3840 SymOp(Rot_mXY_mX_mZ, Tr_0_0_0)])
3841
3842 sg175 = SpaceGroup(
3843 number = 175,
3844 num_sym_equiv = 12,
3845 num_primitive_sym_equiv = 12,
3846 short_name = "P6/m",
3847 point_group_name = "PG6/m",
3848 crystal_system = "HEXAGONAL",
3849 pdb_name = "P 6/m",
3850 symop_list = [
3851 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3852 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3853 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3854 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
3855 SymOp(Rot_Y_mXY_Z, Tr_0_0_0),
3856 SymOp(Rot_XmY_X_Z, Tr_0_0_0),
3857 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3858 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3859 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
3860 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
3861 SymOp(Rot_mY_XmY_mZ, Tr_0_0_0),
3862 SymOp(Rot_mXY_mX_mZ, Tr_0_0_0)])
3863
3864 sg176 = SpaceGroup(
3865 number = 176,
3866 num_sym_equiv = 12,
3867 num_primitive_sym_equiv = 12,
3868 short_name = "P63/m",
3869 point_group_name = "PG6/m",
3870 crystal_system = "HEXAGONAL",
3871 pdb_name = "P 63/m",
3872 symop_list = [
3873 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3874 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3875 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3876 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
3877 SymOp(Rot_Y_mXY_Z, Tr_0_0_12),
3878 SymOp(Rot_XmY_X_Z, Tr_0_0_12),
3879 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
3880 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
3881 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
3882 SymOp(Rot_X_Y_mZ, Tr_0_0_12),
3883 SymOp(Rot_mY_XmY_mZ, Tr_0_0_12),
3884 SymOp(Rot_mXY_mX_mZ, Tr_0_0_12)])
3885
3886 sg177 = SpaceGroup(
3887 number = 177,
3888 num_sym_equiv = 12,
3889 num_primitive_sym_equiv = 12,
3890 short_name = "P622",
3891 point_group_name = "PG622",
3892 crystal_system = "HEXAGONAL",
3893 pdb_name = "P 6 2 2",
3894 symop_list = [
3895 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3896 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
3897 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
3898 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
3899 SymOp(Rot_Y_mXY_Z, Tr_0_0_0),
3900 SymOp(Rot_XmY_X_Z, Tr_0_0_0),
3901 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
3902 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
3903 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0),
3904 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
3905 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0),
3906 SymOp(Rot_X_XmY_mZ, Tr_0_0_0)])
3907
3908 sg178 = SpaceGroup(
3909 number = 178,
3910 num_sym_equiv = 12,
3911 num_primitive_sym_equiv = 12,
3912 short_name = "P6122",
3913 point_group_name = "PG622",
3914 crystal_system = "HEXAGONAL",
3915 pdb_name = "P 61 2 2",
3916 symop_list = [
3917 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3918 SymOp(Rot_mY_XmY_Z, Tr_0_0_13),
3919 SymOp(Rot_mXY_mX_Z, Tr_0_0_23),
3920 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
3921 SymOp(Rot_Y_mXY_Z, Tr_0_0_56),
3922 SymOp(Rot_XmY_X_Z, Tr_0_0_16),
3923 SymOp(Rot_Y_X_mZ, Tr_0_0_13),
3924 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
3925 SymOp(Rot_mX_mXY_mZ, Tr_0_0_23),
3926 SymOp(Rot_mY_mX_mZ, Tr_0_0_56),
3927 SymOp(Rot_mXY_Y_mZ, Tr_0_0_12),
3928 SymOp(Rot_X_XmY_mZ, Tr_0_0_16)])
3929
3930 sg179 = SpaceGroup(
3931 number = 179,
3932 num_sym_equiv = 12,
3933 num_primitive_sym_equiv = 12,
3934 short_name = "P6522",
3935 point_group_name = "PG622",
3936 crystal_system = "HEXAGONAL",
3937 pdb_name = "P 65 2 2",
3938 symop_list = [
3939 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3940 SymOp(Rot_mY_XmY_Z, Tr_0_0_23),
3941 SymOp(Rot_mXY_mX_Z, Tr_0_0_13),
3942 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
3943 SymOp(Rot_Y_mXY_Z, Tr_0_0_16),
3944 SymOp(Rot_XmY_X_Z, Tr_0_0_56),
3945 SymOp(Rot_Y_X_mZ, Tr_0_0_23),
3946 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
3947 SymOp(Rot_mX_mXY_mZ, Tr_0_0_13),
3948 SymOp(Rot_mY_mX_mZ, Tr_0_0_16),
3949 SymOp(Rot_mXY_Y_mZ, Tr_0_0_12),
3950 SymOp(Rot_X_XmY_mZ, Tr_0_0_56)])
3951
3952 sg180 = SpaceGroup(
3953 number = 180,
3954 num_sym_equiv = 12,
3955 num_primitive_sym_equiv = 12,
3956 short_name = "P6222",
3957 point_group_name = "PG622",
3958 crystal_system = "HEXAGONAL",
3959 pdb_name = "P 62 2 2",
3960 symop_list = [
3961 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3962 SymOp(Rot_mY_XmY_Z, Tr_0_0_23),
3963 SymOp(Rot_mXY_mX_Z, Tr_0_0_13),
3964 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
3965 SymOp(Rot_Y_mXY_Z, Tr_0_0_23),
3966 SymOp(Rot_XmY_X_Z, Tr_0_0_13),
3967 SymOp(Rot_Y_X_mZ, Tr_0_0_23),
3968 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
3969 SymOp(Rot_mX_mXY_mZ, Tr_0_0_13),
3970 SymOp(Rot_mY_mX_mZ, Tr_0_0_23),
3971 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0),
3972 SymOp(Rot_X_XmY_mZ, Tr_0_0_13)])
3973
3974 sg181 = SpaceGroup(
3975 number = 181,
3976 num_sym_equiv = 12,
3977 num_primitive_sym_equiv = 12,
3978 short_name = "P6422",
3979 point_group_name = "PG622",
3980 crystal_system = "HEXAGONAL",
3981 pdb_name = "P 64 2 2",
3982 symop_list = [
3983 SymOp(Rot_X_Y_Z, Tr_0_0_0),
3984 SymOp(Rot_mY_XmY_Z, Tr_0_0_13),
3985 SymOp(Rot_mXY_mX_Z, Tr_0_0_23),
3986 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
3987 SymOp(Rot_Y_mXY_Z, Tr_0_0_13),
3988 SymOp(Rot_XmY_X_Z, Tr_0_0_23),
3989 SymOp(Rot_Y_X_mZ, Tr_0_0_13),
3990 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
3991 SymOp(Rot_mX_mXY_mZ, Tr_0_0_23),
3992 SymOp(Rot_mY_mX_mZ, Tr_0_0_13),
3993 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0),
3994 SymOp(Rot_X_XmY_mZ, Tr_0_0_23)])
3995
3996 sg182 = SpaceGroup(
3997 number = 182,
3998 num_sym_equiv = 12,
3999 num_primitive_sym_equiv = 12,
4000 short_name = "P6322",
4001 point_group_name = "PG622",
4002 crystal_system = "HEXAGONAL",
4003 pdb_name = "P 63 2 2",
4004 symop_list = [
4005 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4006 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4007 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4008 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
4009 SymOp(Rot_Y_mXY_Z, Tr_0_0_12),
4010 SymOp(Rot_XmY_X_Z, Tr_0_0_12),
4011 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
4012 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
4013 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0),
4014 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
4015 SymOp(Rot_mXY_Y_mZ, Tr_0_0_12),
4016 SymOp(Rot_X_XmY_mZ, Tr_0_0_12)])
4017
4018 sg183 = SpaceGroup(
4019 number = 183,
4020 num_sym_equiv = 12,
4021 num_primitive_sym_equiv = 12,
4022 short_name = "P6mm",
4023 point_group_name = "PG6mm",
4024 crystal_system = "HEXAGONAL",
4025 pdb_name = "P 6 m m",
4026 symop_list = [
4027 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4028 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4029 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4030 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4031 SymOp(Rot_Y_mXY_Z, Tr_0_0_0),
4032 SymOp(Rot_XmY_X_Z, Tr_0_0_0),
4033 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
4034 SymOp(Rot_mXY_Y_Z, Tr_0_0_0),
4035 SymOp(Rot_X_XmY_Z, Tr_0_0_0),
4036 SymOp(Rot_Y_X_Z, Tr_0_0_0),
4037 SymOp(Rot_XmY_mY_Z, Tr_0_0_0),
4038 SymOp(Rot_mX_mXY_Z, Tr_0_0_0)])
4039
4040 sg184 = SpaceGroup(
4041 number = 184,
4042 num_sym_equiv = 12,
4043 num_primitive_sym_equiv = 12,
4044 short_name = "P6cc",
4045 point_group_name = "PG6mm",
4046 crystal_system = "HEXAGONAL",
4047 pdb_name = "P 6 c c",
4048 symop_list = [
4049 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4050 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4051 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4052 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4053 SymOp(Rot_Y_mXY_Z, Tr_0_0_0),
4054 SymOp(Rot_XmY_X_Z, Tr_0_0_0),
4055 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
4056 SymOp(Rot_mXY_Y_Z, Tr_0_0_12),
4057 SymOp(Rot_X_XmY_Z, Tr_0_0_12),
4058 SymOp(Rot_Y_X_Z, Tr_0_0_12),
4059 SymOp(Rot_XmY_mY_Z, Tr_0_0_12),
4060 SymOp(Rot_mX_mXY_Z, Tr_0_0_12)])
4061
4062 sg185 = SpaceGroup(
4063 number = 185,
4064 num_sym_equiv = 12,
4065 num_primitive_sym_equiv = 12,
4066 short_name = "P63cm",
4067 point_group_name = "PG6mm",
4068 crystal_system = "HEXAGONAL",
4069 pdb_name = "P 63 c m",
4070 symop_list = [
4071 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4072 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4073 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4074 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
4075 SymOp(Rot_Y_mXY_Z, Tr_0_0_12),
4076 SymOp(Rot_XmY_X_Z, Tr_0_0_12),
4077 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
4078 SymOp(Rot_mXY_Y_Z, Tr_0_0_12),
4079 SymOp(Rot_X_XmY_Z, Tr_0_0_12),
4080 SymOp(Rot_Y_X_Z, Tr_0_0_0),
4081 SymOp(Rot_XmY_mY_Z, Tr_0_0_0),
4082 SymOp(Rot_mX_mXY_Z, Tr_0_0_0)])
4083
4084 sg186 = SpaceGroup(
4085 number = 186,
4086 num_sym_equiv = 12,
4087 num_primitive_sym_equiv = 12,
4088 short_name = "P63mc",
4089 point_group_name = "PG6mm",
4090 crystal_system = "HEXAGONAL",
4091 pdb_name = "P 63 m c",
4092 symop_list = [
4093 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4094 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4095 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4096 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
4097 SymOp(Rot_Y_mXY_Z, Tr_0_0_12),
4098 SymOp(Rot_XmY_X_Z, Tr_0_0_12),
4099 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
4100 SymOp(Rot_mXY_Y_Z, Tr_0_0_0),
4101 SymOp(Rot_X_XmY_Z, Tr_0_0_0),
4102 SymOp(Rot_Y_X_Z, Tr_0_0_12),
4103 SymOp(Rot_XmY_mY_Z, Tr_0_0_12),
4104 SymOp(Rot_mX_mXY_Z, Tr_0_0_12)])
4105
4106 sg187 = SpaceGroup(
4107 number = 187,
4108 num_sym_equiv = 12,
4109 num_primitive_sym_equiv = 12,
4110 short_name = "P-6m2",
4111 point_group_name = "PG6barm2",
4112 crystal_system = "HEXAGONAL",
4113 pdb_name = "P -6 m 2",
4114 symop_list = [
4115 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4116 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4117 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4118 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
4119 SymOp(Rot_mY_XmY_mZ, Tr_0_0_0),
4120 SymOp(Rot_mXY_mX_mZ, Tr_0_0_0),
4121 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
4122 SymOp(Rot_mXY_Y_Z, Tr_0_0_0),
4123 SymOp(Rot_X_XmY_Z, Tr_0_0_0),
4124 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
4125 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0),
4126 SymOp(Rot_X_XmY_mZ, Tr_0_0_0)])
4127
4128 sg188 = SpaceGroup(
4129 number = 188,
4130 num_sym_equiv = 12,
4131 num_primitive_sym_equiv = 12,
4132 short_name = "P-6c2",
4133 point_group_name = "PG6barm2",
4134 crystal_system = "HEXAGONAL",
4135 pdb_name = "P -6 c 2",
4136 symop_list = [
4137 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4138 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4139 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4140 SymOp(Rot_X_Y_mZ, Tr_0_0_12),
4141 SymOp(Rot_mY_XmY_mZ, Tr_0_0_12),
4142 SymOp(Rot_mXY_mX_mZ, Tr_0_0_12),
4143 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
4144 SymOp(Rot_mXY_Y_Z, Tr_0_0_12),
4145 SymOp(Rot_X_XmY_Z, Tr_0_0_12),
4146 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
4147 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0),
4148 SymOp(Rot_X_XmY_mZ, Tr_0_0_0)])
4149
4150 sg189 = SpaceGroup(
4151 number = 189,
4152 num_sym_equiv = 12,
4153 num_primitive_sym_equiv = 12,
4154 short_name = "P-62m",
4155 point_group_name = "PG6bar2m",
4156 crystal_system = "HEXAGONAL",
4157 pdb_name = "P -6 2 m",
4158 symop_list = [
4159 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4160 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4161 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4162 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
4163 SymOp(Rot_mY_XmY_mZ, Tr_0_0_0),
4164 SymOp(Rot_mXY_mX_mZ, Tr_0_0_0),
4165 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
4166 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
4167 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0),
4168 SymOp(Rot_Y_X_Z, Tr_0_0_0),
4169 SymOp(Rot_XmY_mY_Z, Tr_0_0_0),
4170 SymOp(Rot_mX_mXY_Z, Tr_0_0_0)])
4171
4172 sg190 = SpaceGroup(
4173 number = 190,
4174 num_sym_equiv = 12,
4175 num_primitive_sym_equiv = 12,
4176 short_name = "P-62c",
4177 point_group_name = "PG6bar2m",
4178 crystal_system = "HEXAGONAL",
4179 pdb_name = "P -6 2 c",
4180 symop_list = [
4181 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4182 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4183 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4184 SymOp(Rot_X_Y_mZ, Tr_0_0_12),
4185 SymOp(Rot_mY_XmY_mZ, Tr_0_0_12),
4186 SymOp(Rot_mXY_mX_mZ, Tr_0_0_12),
4187 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
4188 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
4189 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0),
4190 SymOp(Rot_Y_X_Z, Tr_0_0_12),
4191 SymOp(Rot_XmY_mY_Z, Tr_0_0_12),
4192 SymOp(Rot_mX_mXY_Z, Tr_0_0_12)])
4193
4194 sg191 = SpaceGroup(
4195 number = 191,
4196 num_sym_equiv = 24,
4197 num_primitive_sym_equiv = 24,
4198 short_name = "P6/mmm",
4199 point_group_name = "PG6/mmm",
4200 crystal_system = "HEXAGONAL",
4201 pdb_name = "P 6/m 2/m 2/m",
4202 symop_list = [
4203 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4204 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4205 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4206 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4207 SymOp(Rot_Y_mXY_Z, Tr_0_0_0),
4208 SymOp(Rot_XmY_X_Z, Tr_0_0_0),
4209 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
4210 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
4211 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0),
4212 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
4213 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0),
4214 SymOp(Rot_X_XmY_mZ, Tr_0_0_0),
4215 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
4216 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
4217 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
4218 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
4219 SymOp(Rot_mXY_mX_mZ, Tr_0_0_0),
4220 SymOp(Rot_mY_XmY_mZ, Tr_0_0_0),
4221 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
4222 SymOp(Rot_mXY_Y_Z, Tr_0_0_0),
4223 SymOp(Rot_X_XmY_Z, Tr_0_0_0),
4224 SymOp(Rot_Y_X_Z, Tr_0_0_0),
4225 SymOp(Rot_XmY_mY_Z, Tr_0_0_0),
4226 SymOp(Rot_mX_mXY_Z, Tr_0_0_0)])
4227
4228 sg192 = SpaceGroup(
4229 number = 192,
4230 num_sym_equiv = 24,
4231 num_primitive_sym_equiv = 24,
4232 short_name = "P6/mcc",
4233 point_group_name = "PG6/mmm",
4234 crystal_system = "HEXAGONAL",
4235 pdb_name = "P 6/m 2/c 2/c",
4236 symop_list = [
4237 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4238 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4239 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4240 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4241 SymOp(Rot_Y_mXY_Z, Tr_0_0_0),
4242 SymOp(Rot_XmY_X_Z, Tr_0_0_0),
4243 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
4244 SymOp(Rot_XmY_mY_mZ, Tr_0_0_12),
4245 SymOp(Rot_mX_mXY_mZ, Tr_0_0_12),
4246 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
4247 SymOp(Rot_mXY_Y_mZ, Tr_0_0_12),
4248 SymOp(Rot_X_XmY_mZ, Tr_0_0_12),
4249 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
4250 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
4251 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
4252 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
4253 SymOp(Rot_mXY_mX_mZ, Tr_0_0_0),
4254 SymOp(Rot_mY_XmY_mZ, Tr_0_0_0),
4255 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
4256 SymOp(Rot_mXY_Y_Z, Tr_0_0_12),
4257 SymOp(Rot_X_XmY_Z, Tr_0_0_12),
4258 SymOp(Rot_Y_X_Z, Tr_0_0_12),
4259 SymOp(Rot_XmY_mY_Z, Tr_0_0_12),
4260 SymOp(Rot_mX_mXY_Z, Tr_0_0_12)])
4261
4262 sg193 = SpaceGroup(
4263 number = 193,
4264 num_sym_equiv = 24,
4265 num_primitive_sym_equiv = 24,
4266 short_name = "P63/mcm",
4267 point_group_name = "PG6/mmm",
4268 crystal_system = "HEXAGONAL",
4269 pdb_name = "P 63/m 2/c 2/m",
4270 symop_list = [
4271 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4272 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4273 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4274 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
4275 SymOp(Rot_Y_mXY_Z, Tr_0_0_12),
4276 SymOp(Rot_XmY_X_Z, Tr_0_0_12),
4277 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
4278 SymOp(Rot_XmY_mY_mZ, Tr_0_0_12),
4279 SymOp(Rot_mX_mXY_mZ, Tr_0_0_12),
4280 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
4281 SymOp(Rot_mXY_Y_mZ, Tr_0_0_0),
4282 SymOp(Rot_X_XmY_mZ, Tr_0_0_0),
4283 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
4284 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
4285 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
4286 SymOp(Rot_X_Y_mZ, Tr_0_0_12),
4287 SymOp(Rot_mXY_mX_mZ, Tr_0_0_12),
4288 SymOp(Rot_mY_XmY_mZ, Tr_0_0_12),
4289 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
4290 SymOp(Rot_mXY_Y_Z, Tr_0_0_12),
4291 SymOp(Rot_X_XmY_Z, Tr_0_0_12),
4292 SymOp(Rot_Y_X_Z, Tr_0_0_0),
4293 SymOp(Rot_XmY_mY_Z, Tr_0_0_0),
4294 SymOp(Rot_mX_mXY_Z, Tr_0_0_0)])
4295
4296 sg194 = SpaceGroup(
4297 number = 194,
4298 num_sym_equiv = 24,
4299 num_primitive_sym_equiv = 24,
4300 short_name = "P63/mmc",
4301 point_group_name = "PG6/mmm",
4302 crystal_system = "HEXAGONAL",
4303 pdb_name = "P 63/m 2/m 2/c",
4304 symop_list = [
4305 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4306 SymOp(Rot_mY_XmY_Z, Tr_0_0_0),
4307 SymOp(Rot_mXY_mX_Z, Tr_0_0_0),
4308 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
4309 SymOp(Rot_Y_mXY_Z, Tr_0_0_12),
4310 SymOp(Rot_XmY_X_Z, Tr_0_0_12),
4311 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
4312 SymOp(Rot_XmY_mY_mZ, Tr_0_0_0),
4313 SymOp(Rot_mX_mXY_mZ, Tr_0_0_0),
4314 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
4315 SymOp(Rot_mXY_Y_mZ, Tr_0_0_12),
4316 SymOp(Rot_X_XmY_mZ, Tr_0_0_12),
4317 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
4318 SymOp(Rot_Y_mXY_mZ, Tr_0_0_0),
4319 SymOp(Rot_XmY_X_mZ, Tr_0_0_0),
4320 SymOp(Rot_X_Y_mZ, Tr_0_0_12),
4321 SymOp(Rot_mXY_mX_mZ, Tr_0_0_12),
4322 SymOp(Rot_mY_XmY_mZ, Tr_0_0_12),
4323 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
4324 SymOp(Rot_mXY_Y_Z, Tr_0_0_0),
4325 SymOp(Rot_X_XmY_Z, Tr_0_0_0),
4326 SymOp(Rot_Y_X_Z, Tr_0_0_12),
4327 SymOp(Rot_XmY_mY_Z, Tr_0_0_12),
4328 SymOp(Rot_mX_mXY_Z, Tr_0_0_12)])
4329
4330 sg195 = SpaceGroup(
4331 number = 195,
4332 num_sym_equiv = 12,
4333 num_primitive_sym_equiv = 12,
4334 short_name = "P23",
4335 point_group_name = "PG23",
4336 crystal_system = "CUBIC",
4337 pdb_name = "P 2 3",
4338 symop_list = [
4339 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4340 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4341 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4342 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4343 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4344 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4345 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4346 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4347 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4348 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4349 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4350 SymOp(Rot_mY_mZ_X, Tr_0_0_0)])
4351
4352 sg196 = SpaceGroup(
4353 number = 196,
4354 num_sym_equiv = 48,
4355 num_primitive_sym_equiv = 12,
4356 short_name = "F23",
4357 point_group_name = "PG23",
4358 crystal_system = "CUBIC",
4359 pdb_name = "F 2 3",
4360 symop_list = [
4361 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4362 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4363 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4364 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4365 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4366 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4367 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4368 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4369 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4370 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4371 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4372 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
4373 SymOp(Rot_X_Y_Z, Tr_0_12_12),
4374 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
4375 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
4376 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
4377 SymOp(Rot_Z_X_Y, Tr_0_12_12),
4378 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
4379 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
4380 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
4381 SymOp(Rot_Y_Z_X, Tr_0_12_12),
4382 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
4383 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
4384 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
4385 SymOp(Rot_X_Y_Z, Tr_12_0_12),
4386 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
4387 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
4388 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
4389 SymOp(Rot_Z_X_Y, Tr_12_0_12),
4390 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
4391 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
4392 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
4393 SymOp(Rot_Y_Z_X, Tr_12_0_12),
4394 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
4395 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
4396 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
4397 SymOp(Rot_X_Y_Z, Tr_12_12_0),
4398 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
4399 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
4400 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
4401 SymOp(Rot_Z_X_Y, Tr_12_12_0),
4402 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
4403 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
4404 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
4405 SymOp(Rot_Y_Z_X, Tr_12_12_0),
4406 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
4407 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
4408 SymOp(Rot_mY_mZ_X, Tr_12_12_0)])
4409
4410 sg197 = SpaceGroup(
4411 number = 197,
4412 num_sym_equiv = 24,
4413 num_primitive_sym_equiv = 12,
4414 short_name = "I23",
4415 point_group_name = "PG23",
4416 crystal_system = "CUBIC",
4417 pdb_name = "I 2 3",
4418 symop_list = [
4419 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4420 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4421 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4422 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4423 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4424 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4425 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4426 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4427 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4428 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4429 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4430 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
4431 SymOp(Rot_X_Y_Z, Tr_12_12_12),
4432 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
4433 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
4434 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
4435 SymOp(Rot_Z_X_Y, Tr_12_12_12),
4436 SymOp(Rot_Z_mX_mY, Tr_12_12_12),
4437 SymOp(Rot_mZ_mX_Y, Tr_12_12_12),
4438 SymOp(Rot_mZ_X_mY, Tr_12_12_12),
4439 SymOp(Rot_Y_Z_X, Tr_12_12_12),
4440 SymOp(Rot_mY_Z_mX, Tr_12_12_12),
4441 SymOp(Rot_Y_mZ_mX, Tr_12_12_12),
4442 SymOp(Rot_mY_mZ_X, Tr_12_12_12)])
4443
4444 sg198 = SpaceGroup(
4445 number = 198,
4446 num_sym_equiv = 12,
4447 num_primitive_sym_equiv = 12,
4448 short_name = "P213",
4449 point_group_name = "PG23",
4450 crystal_system = "CUBIC",
4451 pdb_name = "P 21 3",
4452 symop_list = [
4453 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4454 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
4455 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
4456 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
4457 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4458 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
4459 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
4460 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
4461 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4462 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
4463 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
4464 SymOp(Rot_mY_mZ_X, Tr_12_0_12)])
4465
4466 sg199 = SpaceGroup(
4467 number = 199,
4468 num_sym_equiv = 24,
4469 num_primitive_sym_equiv = 12,
4470 short_name = "I213",
4471 point_group_name = "PG23",
4472 crystal_system = "CUBIC",
4473 pdb_name = "I 21 3",
4474 symop_list = [
4475 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4476 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
4477 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
4478 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
4479 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4480 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
4481 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
4482 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
4483 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4484 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
4485 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
4486 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
4487 SymOp(Rot_X_Y_Z, Tr_12_12_12),
4488 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
4489 SymOp(Rot_mX_Y_mZ, Tr_12_0_0),
4490 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
4491 SymOp(Rot_Z_X_Y, Tr_12_12_12),
4492 SymOp(Rot_Z_mX_mY, Tr_0_0_12),
4493 SymOp(Rot_mZ_mX_Y, Tr_0_12_0),
4494 SymOp(Rot_mZ_X_mY, Tr_12_0_0),
4495 SymOp(Rot_Y_Z_X, Tr_12_12_12),
4496 SymOp(Rot_mY_Z_mX, Tr_12_0_0),
4497 SymOp(Rot_Y_mZ_mX, Tr_0_0_12),
4498 SymOp(Rot_mY_mZ_X, Tr_0_12_0)])
4499
4500 sg200 = SpaceGroup(
4501 number = 200,
4502 num_sym_equiv = 24,
4503 num_primitive_sym_equiv = 24,
4504 short_name = "Pm-3",
4505 point_group_name = "PGm3bar",
4506 crystal_system = "CUBIC",
4507 pdb_name = "P 2/m -3",
4508 symop_list = [
4509 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4510 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4511 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4512 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4513 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4514 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4515 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4516 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4517 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4518 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4519 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4520 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
4521 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
4522 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
4523 SymOp(Rot_X_mY_Z, Tr_0_0_0),
4524 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
4525 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
4526 SymOp(Rot_mZ_X_Y, Tr_0_0_0),
4527 SymOp(Rot_Z_X_mY, Tr_0_0_0),
4528 SymOp(Rot_Z_mX_Y, Tr_0_0_0),
4529 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
4530 SymOp(Rot_Y_mZ_X, Tr_0_0_0),
4531 SymOp(Rot_mY_Z_X, Tr_0_0_0),
4532 SymOp(Rot_Y_Z_mX, Tr_0_0_0)])
4533
4534 sg201 = SpaceGroup(
4535 number = 201,
4536 num_sym_equiv = 24,
4537 num_primitive_sym_equiv = 24,
4538 short_name = "Pn-3",
4539 point_group_name = "PGm3bar",
4540 crystal_system = "CUBIC",
4541 pdb_name = "P 2/n -3",
4542 symop_list = [
4543 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4544 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4545 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4546 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4547 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4548 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4549 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4550 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4551 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4552 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4553 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4554 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
4555 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
4556 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
4557 SymOp(Rot_X_mY_Z, Tr_12_12_12),
4558 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
4559 SymOp(Rot_mZ_mX_mY, Tr_12_12_12),
4560 SymOp(Rot_mZ_X_Y, Tr_12_12_12),
4561 SymOp(Rot_Z_X_mY, Tr_12_12_12),
4562 SymOp(Rot_Z_mX_Y, Tr_12_12_12),
4563 SymOp(Rot_mY_mZ_mX, Tr_12_12_12),
4564 SymOp(Rot_Y_mZ_X, Tr_12_12_12),
4565 SymOp(Rot_mY_Z_X, Tr_12_12_12),
4566 SymOp(Rot_Y_Z_mX, Tr_12_12_12)])
4567
4568 sg202 = SpaceGroup(
4569 number = 202,
4570 num_sym_equiv = 96,
4571 num_primitive_sym_equiv = 24,
4572 short_name = "Fm-3",
4573 point_group_name = "PGm3bar",
4574 crystal_system = "CUBIC",
4575 pdb_name = "F 2/m -3",
4576 symop_list = [
4577 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4578 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4579 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4580 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4581 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4582 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4583 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4584 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4585 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4586 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4587 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4588 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
4589 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
4590 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
4591 SymOp(Rot_X_mY_Z, Tr_0_0_0),
4592 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
4593 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
4594 SymOp(Rot_mZ_X_Y, Tr_0_0_0),
4595 SymOp(Rot_Z_X_mY, Tr_0_0_0),
4596 SymOp(Rot_Z_mX_Y, Tr_0_0_0),
4597 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
4598 SymOp(Rot_Y_mZ_X, Tr_0_0_0),
4599 SymOp(Rot_mY_Z_X, Tr_0_0_0),
4600 SymOp(Rot_Y_Z_mX, Tr_0_0_0),
4601 SymOp(Rot_X_Y_Z, Tr_0_12_12),
4602 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
4603 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
4604 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
4605 SymOp(Rot_Z_X_Y, Tr_0_12_12),
4606 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
4607 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
4608 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
4609 SymOp(Rot_Y_Z_X, Tr_0_12_12),
4610 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
4611 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
4612 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
4613 SymOp(Rot_mX_mY_mZ, Tr_0_12_12),
4614 SymOp(Rot_X_Y_mZ, Tr_0_12_12),
4615 SymOp(Rot_X_mY_Z, Tr_0_12_12),
4616 SymOp(Rot_mX_Y_Z, Tr_0_12_12),
4617 SymOp(Rot_mZ_mX_mY, Tr_0_12_12),
4618 SymOp(Rot_mZ_X_Y, Tr_0_12_12),
4619 SymOp(Rot_Z_X_mY, Tr_0_12_12),
4620 SymOp(Rot_Z_mX_Y, Tr_0_12_12),
4621 SymOp(Rot_mY_mZ_mX, Tr_0_12_12),
4622 SymOp(Rot_Y_mZ_X, Tr_0_12_12),
4623 SymOp(Rot_mY_Z_X, Tr_0_12_12),
4624 SymOp(Rot_Y_Z_mX, Tr_0_12_12),
4625 SymOp(Rot_X_Y_Z, Tr_12_0_12),
4626 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
4627 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
4628 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
4629 SymOp(Rot_Z_X_Y, Tr_12_0_12),
4630 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
4631 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
4632 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
4633 SymOp(Rot_Y_Z_X, Tr_12_0_12),
4634 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
4635 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
4636 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
4637 SymOp(Rot_mX_mY_mZ, Tr_12_0_12),
4638 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
4639 SymOp(Rot_X_mY_Z, Tr_12_0_12),
4640 SymOp(Rot_mX_Y_Z, Tr_12_0_12),
4641 SymOp(Rot_mZ_mX_mY, Tr_12_0_12),
4642 SymOp(Rot_mZ_X_Y, Tr_12_0_12),
4643 SymOp(Rot_Z_X_mY, Tr_12_0_12),
4644 SymOp(Rot_Z_mX_Y, Tr_12_0_12),
4645 SymOp(Rot_mY_mZ_mX, Tr_12_0_12),
4646 SymOp(Rot_Y_mZ_X, Tr_12_0_12),
4647 SymOp(Rot_mY_Z_X, Tr_12_0_12),
4648 SymOp(Rot_Y_Z_mX, Tr_12_0_12),
4649 SymOp(Rot_X_Y_Z, Tr_12_12_0),
4650 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
4651 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
4652 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
4653 SymOp(Rot_Z_X_Y, Tr_12_12_0),
4654 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
4655 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
4656 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
4657 SymOp(Rot_Y_Z_X, Tr_12_12_0),
4658 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
4659 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
4660 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
4661 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
4662 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
4663 SymOp(Rot_X_mY_Z, Tr_12_12_0),
4664 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
4665 SymOp(Rot_mZ_mX_mY, Tr_12_12_0),
4666 SymOp(Rot_mZ_X_Y, Tr_12_12_0),
4667 SymOp(Rot_Z_X_mY, Tr_12_12_0),
4668 SymOp(Rot_Z_mX_Y, Tr_12_12_0),
4669 SymOp(Rot_mY_mZ_mX, Tr_12_12_0),
4670 SymOp(Rot_Y_mZ_X, Tr_12_12_0),
4671 SymOp(Rot_mY_Z_X, Tr_12_12_0),
4672 SymOp(Rot_Y_Z_mX, Tr_12_12_0)])
4673
4674 sg203 = SpaceGroup(
4675 number = 203,
4676 num_sym_equiv = 96,
4677 num_primitive_sym_equiv = 24,
4678 short_name = "Fd-3",
4679 point_group_name = "PGm3bar",
4680 crystal_system = "CUBIC",
4681 pdb_name = "F 2/d -3",
4682 symop_list = [
4683 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4684 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4685 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4686 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4687 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4688 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4689 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4690 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4691 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4692 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4693 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4694 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
4695 SymOp(Rot_mX_mY_mZ, Tr_14_14_14),
4696 SymOp(Rot_X_Y_mZ, Tr_14_14_14),
4697 SymOp(Rot_X_mY_Z, Tr_14_14_14),
4698 SymOp(Rot_mX_Y_Z, Tr_14_14_14),
4699 SymOp(Rot_mZ_mX_mY, Tr_14_14_14),
4700 SymOp(Rot_mZ_X_Y, Tr_14_14_14),
4701 SymOp(Rot_Z_X_mY, Tr_14_14_14),
4702 SymOp(Rot_Z_mX_Y, Tr_14_14_14),
4703 SymOp(Rot_mY_mZ_mX, Tr_14_14_14),
4704 SymOp(Rot_Y_mZ_X, Tr_14_14_14),
4705 SymOp(Rot_mY_Z_X, Tr_14_14_14),
4706 SymOp(Rot_Y_Z_mX, Tr_14_14_14),
4707 SymOp(Rot_X_Y_Z, Tr_0_12_12),
4708 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
4709 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
4710 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
4711 SymOp(Rot_Z_X_Y, Tr_0_12_12),
4712 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
4713 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
4714 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
4715 SymOp(Rot_Y_Z_X, Tr_0_12_12),
4716 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
4717 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
4718 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
4719 SymOp(Rot_mX_mY_mZ, Tr_14_34_34),
4720 SymOp(Rot_X_Y_mZ, Tr_14_34_34),
4721 SymOp(Rot_X_mY_Z, Tr_14_34_34),
4722 SymOp(Rot_mX_Y_Z, Tr_14_34_34),
4723 SymOp(Rot_mZ_mX_mY, Tr_14_34_34),
4724 SymOp(Rot_mZ_X_Y, Tr_14_34_34),
4725 SymOp(Rot_Z_X_mY, Tr_14_34_34),
4726 SymOp(Rot_Z_mX_Y, Tr_14_34_34),
4727 SymOp(Rot_mY_mZ_mX, Tr_14_34_34),
4728 SymOp(Rot_Y_mZ_X, Tr_14_34_34),
4729 SymOp(Rot_mY_Z_X, Tr_14_34_34),
4730 SymOp(Rot_Y_Z_mX, Tr_14_34_34),
4731 SymOp(Rot_X_Y_Z, Tr_12_0_12),
4732 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
4733 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
4734 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
4735 SymOp(Rot_Z_X_Y, Tr_12_0_12),
4736 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
4737 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
4738 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
4739 SymOp(Rot_Y_Z_X, Tr_12_0_12),
4740 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
4741 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
4742 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
4743 SymOp(Rot_mX_mY_mZ, Tr_34_14_34),
4744 SymOp(Rot_X_Y_mZ, Tr_34_14_34),
4745 SymOp(Rot_X_mY_Z, Tr_34_14_34),
4746 SymOp(Rot_mX_Y_Z, Tr_34_14_34),
4747 SymOp(Rot_mZ_mX_mY, Tr_34_14_34),
4748 SymOp(Rot_mZ_X_Y, Tr_34_14_34),
4749 SymOp(Rot_Z_X_mY, Tr_34_14_34),
4750 SymOp(Rot_Z_mX_Y, Tr_34_14_34),
4751 SymOp(Rot_mY_mZ_mX, Tr_34_14_34),
4752 SymOp(Rot_Y_mZ_X, Tr_34_14_34),
4753 SymOp(Rot_mY_Z_X, Tr_34_14_34),
4754 SymOp(Rot_Y_Z_mX, Tr_34_14_34),
4755 SymOp(Rot_X_Y_Z, Tr_12_12_0),
4756 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
4757 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
4758 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
4759 SymOp(Rot_Z_X_Y, Tr_12_12_0),
4760 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
4761 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
4762 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
4763 SymOp(Rot_Y_Z_X, Tr_12_12_0),
4764 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
4765 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
4766 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
4767 SymOp(Rot_mX_mY_mZ, Tr_34_34_14),
4768 SymOp(Rot_X_Y_mZ, Tr_34_34_14),
4769 SymOp(Rot_X_mY_Z, Tr_34_34_14),
4770 SymOp(Rot_mX_Y_Z, Tr_34_34_14),
4771 SymOp(Rot_mZ_mX_mY, Tr_34_34_14),
4772 SymOp(Rot_mZ_X_Y, Tr_34_34_14),
4773 SymOp(Rot_Z_X_mY, Tr_34_34_14),
4774 SymOp(Rot_Z_mX_Y, Tr_34_34_14),
4775 SymOp(Rot_mY_mZ_mX, Tr_34_34_14),
4776 SymOp(Rot_Y_mZ_X, Tr_34_34_14),
4777 SymOp(Rot_mY_Z_X, Tr_34_34_14),
4778 SymOp(Rot_Y_Z_mX, Tr_34_34_14)])
4779
4780 sg204 = SpaceGroup(
4781 number = 204,
4782 num_sym_equiv = 48,
4783 num_primitive_sym_equiv = 24,
4784 short_name = "Im-3",
4785 point_group_name = "PGm3bar",
4786 crystal_system = "CUBIC",
4787 pdb_name = "I 2/m -3",
4788 symop_list = [
4789 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4790 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4791 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4792 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4793 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4794 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4795 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4796 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4797 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4798 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4799 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4800 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
4801 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
4802 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
4803 SymOp(Rot_X_mY_Z, Tr_0_0_0),
4804 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
4805 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
4806 SymOp(Rot_mZ_X_Y, Tr_0_0_0),
4807 SymOp(Rot_Z_X_mY, Tr_0_0_0),
4808 SymOp(Rot_Z_mX_Y, Tr_0_0_0),
4809 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
4810 SymOp(Rot_Y_mZ_X, Tr_0_0_0),
4811 SymOp(Rot_mY_Z_X, Tr_0_0_0),
4812 SymOp(Rot_Y_Z_mX, Tr_0_0_0),
4813 SymOp(Rot_X_Y_Z, Tr_12_12_12),
4814 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
4815 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
4816 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
4817 SymOp(Rot_Z_X_Y, Tr_12_12_12),
4818 SymOp(Rot_Z_mX_mY, Tr_12_12_12),
4819 SymOp(Rot_mZ_mX_Y, Tr_12_12_12),
4820 SymOp(Rot_mZ_X_mY, Tr_12_12_12),
4821 SymOp(Rot_Y_Z_X, Tr_12_12_12),
4822 SymOp(Rot_mY_Z_mX, Tr_12_12_12),
4823 SymOp(Rot_Y_mZ_mX, Tr_12_12_12),
4824 SymOp(Rot_mY_mZ_X, Tr_12_12_12),
4825 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
4826 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
4827 SymOp(Rot_X_mY_Z, Tr_12_12_12),
4828 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
4829 SymOp(Rot_mZ_mX_mY, Tr_12_12_12),
4830 SymOp(Rot_mZ_X_Y, Tr_12_12_12),
4831 SymOp(Rot_Z_X_mY, Tr_12_12_12),
4832 SymOp(Rot_Z_mX_Y, Tr_12_12_12),
4833 SymOp(Rot_mY_mZ_mX, Tr_12_12_12),
4834 SymOp(Rot_Y_mZ_X, Tr_12_12_12),
4835 SymOp(Rot_mY_Z_X, Tr_12_12_12),
4836 SymOp(Rot_Y_Z_mX, Tr_12_12_12)])
4837
4838 sg205 = SpaceGroup(
4839 number = 205,
4840 num_sym_equiv = 24,
4841 num_primitive_sym_equiv = 24,
4842 short_name = "Pa-3",
4843 point_group_name = "PGm3bar",
4844 crystal_system = "CUBIC",
4845 pdb_name = "P 21/a -3",
4846 symop_list = [
4847 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4848 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
4849 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
4850 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
4851 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4852 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
4853 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
4854 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
4855 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4856 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
4857 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
4858 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
4859 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
4860 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
4861 SymOp(Rot_X_mY_Z, Tr_0_12_12),
4862 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
4863 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
4864 SymOp(Rot_mZ_X_Y, Tr_12_12_0),
4865 SymOp(Rot_Z_X_mY, Tr_12_0_12),
4866 SymOp(Rot_Z_mX_Y, Tr_0_12_12),
4867 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
4868 SymOp(Rot_Y_mZ_X, Tr_0_12_12),
4869 SymOp(Rot_mY_Z_X, Tr_12_12_0),
4870 SymOp(Rot_Y_Z_mX, Tr_12_0_12)])
4871
4872 sg206 = SpaceGroup(
4873 number = 206,
4874 num_sym_equiv = 48,
4875 num_primitive_sym_equiv = 24,
4876 short_name = "Ia-3",
4877 point_group_name = "PGm3bar",
4878 crystal_system = "CUBIC",
4879 pdb_name = "I 21/a -3",
4880 symop_list = [
4881 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4882 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
4883 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
4884 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
4885 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4886 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
4887 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
4888 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
4889 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4890 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
4891 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
4892 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
4893 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
4894 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
4895 SymOp(Rot_X_mY_Z, Tr_0_12_12),
4896 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
4897 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
4898 SymOp(Rot_mZ_X_Y, Tr_12_12_0),
4899 SymOp(Rot_Z_X_mY, Tr_12_0_12),
4900 SymOp(Rot_Z_mX_Y, Tr_0_12_12),
4901 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
4902 SymOp(Rot_Y_mZ_X, Tr_0_12_12),
4903 SymOp(Rot_mY_Z_X, Tr_12_12_0),
4904 SymOp(Rot_Y_Z_mX, Tr_12_0_12),
4905 SymOp(Rot_X_Y_Z, Tr_12_12_12),
4906 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
4907 SymOp(Rot_mX_Y_mZ, Tr_12_0_0),
4908 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
4909 SymOp(Rot_Z_X_Y, Tr_12_12_12),
4910 SymOp(Rot_Z_mX_mY, Tr_0_0_12),
4911 SymOp(Rot_mZ_mX_Y, Tr_0_12_0),
4912 SymOp(Rot_mZ_X_mY, Tr_12_0_0),
4913 SymOp(Rot_Y_Z_X, Tr_12_12_12),
4914 SymOp(Rot_mY_Z_mX, Tr_12_0_0),
4915 SymOp(Rot_Y_mZ_mX, Tr_0_0_12),
4916 SymOp(Rot_mY_mZ_X, Tr_0_12_0),
4917 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
4918 SymOp(Rot_X_Y_mZ, Tr_0_12_0),
4919 SymOp(Rot_X_mY_Z, Tr_12_0_0),
4920 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
4921 SymOp(Rot_mZ_mX_mY, Tr_12_12_12),
4922 SymOp(Rot_mZ_X_Y, Tr_0_0_12),
4923 SymOp(Rot_Z_X_mY, Tr_0_12_0),
4924 SymOp(Rot_Z_mX_Y, Tr_12_0_0),
4925 SymOp(Rot_mY_mZ_mX, Tr_12_12_12),
4926 SymOp(Rot_Y_mZ_X, Tr_12_0_0),
4927 SymOp(Rot_mY_Z_X, Tr_0_0_12),
4928 SymOp(Rot_Y_Z_mX, Tr_0_12_0)])
4929
4930 sg207 = SpaceGroup(
4931 number = 207,
4932 num_sym_equiv = 24,
4933 num_primitive_sym_equiv = 24,
4934 short_name = "P432",
4935 point_group_name = "PG432",
4936 crystal_system = "CUBIC",
4937 pdb_name = "P 4 3 2",
4938 symop_list = [
4939 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4940 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4941 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4942 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4943 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4944 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4945 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4946 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4947 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4948 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4949 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4950 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
4951 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
4952 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
4953 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
4954 SymOp(Rot_mY_X_Z, Tr_0_0_0),
4955 SymOp(Rot_X_Z_mY, Tr_0_0_0),
4956 SymOp(Rot_mX_Z_Y, Tr_0_0_0),
4957 SymOp(Rot_mX_mZ_mY, Tr_0_0_0),
4958 SymOp(Rot_X_mZ_Y, Tr_0_0_0),
4959 SymOp(Rot_Z_Y_mX, Tr_0_0_0),
4960 SymOp(Rot_Z_mY_X, Tr_0_0_0),
4961 SymOp(Rot_mZ_Y_X, Tr_0_0_0),
4962 SymOp(Rot_mZ_mY_mX, Tr_0_0_0)])
4963
4964 sg208 = SpaceGroup(
4965 number = 208,
4966 num_sym_equiv = 24,
4967 num_primitive_sym_equiv = 24,
4968 short_name = "P4232",
4969 point_group_name = "PG432",
4970 crystal_system = "CUBIC",
4971 pdb_name = "P 42 3 2",
4972 symop_list = [
4973 SymOp(Rot_X_Y_Z, Tr_0_0_0),
4974 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
4975 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
4976 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
4977 SymOp(Rot_Z_X_Y, Tr_0_0_0),
4978 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
4979 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
4980 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
4981 SymOp(Rot_Y_Z_X, Tr_0_0_0),
4982 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
4983 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
4984 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
4985 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
4986 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
4987 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
4988 SymOp(Rot_mY_X_Z, Tr_12_12_12),
4989 SymOp(Rot_X_Z_mY, Tr_12_12_12),
4990 SymOp(Rot_mX_Z_Y, Tr_12_12_12),
4991 SymOp(Rot_mX_mZ_mY, Tr_12_12_12),
4992 SymOp(Rot_X_mZ_Y, Tr_12_12_12),
4993 SymOp(Rot_Z_Y_mX, Tr_12_12_12),
4994 SymOp(Rot_Z_mY_X, Tr_12_12_12),
4995 SymOp(Rot_mZ_Y_X, Tr_12_12_12),
4996 SymOp(Rot_mZ_mY_mX, Tr_12_12_12)])
4997
4998 sg209 = SpaceGroup(
4999 number = 209,
5000 num_sym_equiv = 96,
5001 num_primitive_sym_equiv = 24,
5002 short_name = "F432",
5003 point_group_name = "PG432",
5004 crystal_system = "CUBIC",
5005 pdb_name = "F 4 3 2",
5006 symop_list = [
5007 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5008 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5009 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5010 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5011 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5012 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5013 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5014 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5015 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5016 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5017 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5018 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5019 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
5020 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
5021 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
5022 SymOp(Rot_mY_X_Z, Tr_0_0_0),
5023 SymOp(Rot_X_Z_mY, Tr_0_0_0),
5024 SymOp(Rot_mX_Z_Y, Tr_0_0_0),
5025 SymOp(Rot_mX_mZ_mY, Tr_0_0_0),
5026 SymOp(Rot_X_mZ_Y, Tr_0_0_0),
5027 SymOp(Rot_Z_Y_mX, Tr_0_0_0),
5028 SymOp(Rot_Z_mY_X, Tr_0_0_0),
5029 SymOp(Rot_mZ_Y_X, Tr_0_0_0),
5030 SymOp(Rot_mZ_mY_mX, Tr_0_0_0),
5031 SymOp(Rot_X_Y_Z, Tr_0_12_12),
5032 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
5033 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
5034 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
5035 SymOp(Rot_Z_X_Y, Tr_0_12_12),
5036 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
5037 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
5038 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
5039 SymOp(Rot_Y_Z_X, Tr_0_12_12),
5040 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
5041 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
5042 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
5043 SymOp(Rot_Y_X_mZ, Tr_0_12_12),
5044 SymOp(Rot_mY_mX_mZ, Tr_0_12_12),
5045 SymOp(Rot_Y_mX_Z, Tr_0_12_12),
5046 SymOp(Rot_mY_X_Z, Tr_0_12_12),
5047 SymOp(Rot_X_Z_mY, Tr_0_12_12),
5048 SymOp(Rot_mX_Z_Y, Tr_0_12_12),
5049 SymOp(Rot_mX_mZ_mY, Tr_0_12_12),
5050 SymOp(Rot_X_mZ_Y, Tr_0_12_12),
5051 SymOp(Rot_Z_Y_mX, Tr_0_12_12),
5052 SymOp(Rot_Z_mY_X, Tr_0_12_12),
5053 SymOp(Rot_mZ_Y_X, Tr_0_12_12),
5054 SymOp(Rot_mZ_mY_mX, Tr_0_12_12),
5055 SymOp(Rot_X_Y_Z, Tr_12_0_12),
5056 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
5057 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
5058 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
5059 SymOp(Rot_Z_X_Y, Tr_12_0_12),
5060 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
5061 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
5062 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
5063 SymOp(Rot_Y_Z_X, Tr_12_0_12),
5064 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
5065 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
5066 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
5067 SymOp(Rot_Y_X_mZ, Tr_12_0_12),
5068 SymOp(Rot_mY_mX_mZ, Tr_12_0_12),
5069 SymOp(Rot_Y_mX_Z, Tr_12_0_12),
5070 SymOp(Rot_mY_X_Z, Tr_12_0_12),
5071 SymOp(Rot_X_Z_mY, Tr_12_0_12),
5072 SymOp(Rot_mX_Z_Y, Tr_12_0_12),
5073 SymOp(Rot_mX_mZ_mY, Tr_12_0_12),
5074 SymOp(Rot_X_mZ_Y, Tr_12_0_12),
5075 SymOp(Rot_Z_Y_mX, Tr_12_0_12),
5076 SymOp(Rot_Z_mY_X, Tr_12_0_12),
5077 SymOp(Rot_mZ_Y_X, Tr_12_0_12),
5078 SymOp(Rot_mZ_mY_mX, Tr_12_0_12),
5079 SymOp(Rot_X_Y_Z, Tr_12_12_0),
5080 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
5081 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
5082 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
5083 SymOp(Rot_Z_X_Y, Tr_12_12_0),
5084 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
5085 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
5086 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
5087 SymOp(Rot_Y_Z_X, Tr_12_12_0),
5088 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
5089 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
5090 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
5091 SymOp(Rot_Y_X_mZ, Tr_12_12_0),
5092 SymOp(Rot_mY_mX_mZ, Tr_12_12_0),
5093 SymOp(Rot_Y_mX_Z, Tr_12_12_0),
5094 SymOp(Rot_mY_X_Z, Tr_12_12_0),
5095 SymOp(Rot_X_Z_mY, Tr_12_12_0),
5096 SymOp(Rot_mX_Z_Y, Tr_12_12_0),
5097 SymOp(Rot_mX_mZ_mY, Tr_12_12_0),
5098 SymOp(Rot_X_mZ_Y, Tr_12_12_0),
5099 SymOp(Rot_Z_Y_mX, Tr_12_12_0),
5100 SymOp(Rot_Z_mY_X, Tr_12_12_0),
5101 SymOp(Rot_mZ_Y_X, Tr_12_12_0),
5102 SymOp(Rot_mZ_mY_mX, Tr_12_12_0)])
5103
5104 sg210 = SpaceGroup(
5105 number = 210,
5106 num_sym_equiv = 96,
5107 num_primitive_sym_equiv = 24,
5108 short_name = "F4132",
5109 point_group_name = "PG432",
5110 crystal_system = "CUBIC",
5111 pdb_name = "F 41 3 2",
5112 symop_list = [
5113 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5114 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
5115 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
5116 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
5117 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5118 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
5119 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
5120 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
5121 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5122 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
5123 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
5124 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
5125 SymOp(Rot_Y_X_mZ, Tr_34_14_34),
5126 SymOp(Rot_mY_mX_mZ, Tr_14_14_14),
5127 SymOp(Rot_Y_mX_Z, Tr_14_34_34),
5128 SymOp(Rot_mY_X_Z, Tr_34_34_14),
5129 SymOp(Rot_X_Z_mY, Tr_34_14_34),
5130 SymOp(Rot_mX_Z_Y, Tr_34_34_14),
5131 SymOp(Rot_mX_mZ_mY, Tr_14_14_14),
5132 SymOp(Rot_X_mZ_Y, Tr_14_34_34),
5133 SymOp(Rot_Z_Y_mX, Tr_34_14_34),
5134 SymOp(Rot_Z_mY_X, Tr_14_34_34),
5135 SymOp(Rot_mZ_Y_X, Tr_34_34_14),
5136 SymOp(Rot_mZ_mY_mX, Tr_14_14_14),
5137 SymOp(Rot_X_Y_Z, Tr_0_12_12),
5138 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5139 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
5140 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
5141 SymOp(Rot_Z_X_Y, Tr_0_12_12),
5142 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
5143 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5144 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
5145 SymOp(Rot_Y_Z_X, Tr_0_12_12),
5146 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
5147 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
5148 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5149 SymOp(Rot_Y_X_mZ, Tr_34_34_14),
5150 SymOp(Rot_mY_mX_mZ, Tr_14_34_34),
5151 SymOp(Rot_Y_mX_Z, Tr_14_14_14),
5152 SymOp(Rot_mY_X_Z, Tr_34_14_34),
5153 SymOp(Rot_X_Z_mY, Tr_34_34_14),
5154 SymOp(Rot_mX_Z_Y, Tr_34_14_34),
5155 SymOp(Rot_mX_mZ_mY, Tr_14_34_34),
5156 SymOp(Rot_X_mZ_Y, Tr_14_14_14),
5157 SymOp(Rot_Z_Y_mX, Tr_34_34_14),
5158 SymOp(Rot_Z_mY_X, Tr_14_14_14),
5159 SymOp(Rot_mZ_Y_X, Tr_34_14_34),
5160 SymOp(Rot_mZ_mY_mX, Tr_14_34_34),
5161 SymOp(Rot_X_Y_Z, Tr_12_0_12),
5162 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
5163 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
5164 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5165 SymOp(Rot_Z_X_Y, Tr_12_0_12),
5166 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5167 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
5168 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
5169 SymOp(Rot_Y_Z_X, Tr_12_0_12),
5170 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
5171 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5172 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
5173 SymOp(Rot_Y_X_mZ, Tr_14_14_14),
5174 SymOp(Rot_mY_mX_mZ, Tr_34_14_34),
5175 SymOp(Rot_Y_mX_Z, Tr_34_34_14),
5176 SymOp(Rot_mY_X_Z, Tr_14_34_34),
5177 SymOp(Rot_X_Z_mY, Tr_14_14_14),
5178 SymOp(Rot_mX_Z_Y, Tr_14_34_34),
5179 SymOp(Rot_mX_mZ_mY, Tr_34_14_34),
5180 SymOp(Rot_X_mZ_Y, Tr_34_34_14),
5181 SymOp(Rot_Z_Y_mX, Tr_14_14_14),
5182 SymOp(Rot_Z_mY_X, Tr_34_34_14),
5183 SymOp(Rot_mZ_Y_X, Tr_14_34_34),
5184 SymOp(Rot_mZ_mY_mX, Tr_34_14_34),
5185 SymOp(Rot_X_Y_Z, Tr_12_12_0),
5186 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
5187 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5188 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
5189 SymOp(Rot_Z_X_Y, Tr_12_12_0),
5190 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
5191 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
5192 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5193 SymOp(Rot_Y_Z_X, Tr_12_12_0),
5194 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5195 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
5196 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
5197 SymOp(Rot_Y_X_mZ, Tr_14_34_34),
5198 SymOp(Rot_mY_mX_mZ, Tr_34_34_14),
5199 SymOp(Rot_Y_mX_Z, Tr_34_14_34),
5200 SymOp(Rot_mY_X_Z, Tr_14_14_14),
5201 SymOp(Rot_X_Z_mY, Tr_14_34_34),
5202 SymOp(Rot_mX_Z_Y, Tr_14_14_14),
5203 SymOp(Rot_mX_mZ_mY, Tr_34_34_14),
5204 SymOp(Rot_X_mZ_Y, Tr_34_14_34),
5205 SymOp(Rot_Z_Y_mX, Tr_14_34_34),
5206 SymOp(Rot_Z_mY_X, Tr_34_14_34),
5207 SymOp(Rot_mZ_Y_X, Tr_14_14_14),
5208 SymOp(Rot_mZ_mY_mX, Tr_34_34_14)])
5209
5210 sg211 = SpaceGroup(
5211 number = 211,
5212 num_sym_equiv = 48,
5213 num_primitive_sym_equiv = 24,
5214 short_name = "I432",
5215 point_group_name = "PG432",
5216 crystal_system = "CUBIC",
5217 pdb_name = "I 4 3 2",
5218 symop_list = [
5219 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5220 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5221 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5222 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5223 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5224 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5225 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5226 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5227 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5228 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5229 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5230 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5231 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
5232 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
5233 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
5234 SymOp(Rot_mY_X_Z, Tr_0_0_0),
5235 SymOp(Rot_X_Z_mY, Tr_0_0_0),
5236 SymOp(Rot_mX_Z_Y, Tr_0_0_0),
5237 SymOp(Rot_mX_mZ_mY, Tr_0_0_0),
5238 SymOp(Rot_X_mZ_Y, Tr_0_0_0),
5239 SymOp(Rot_Z_Y_mX, Tr_0_0_0),
5240 SymOp(Rot_Z_mY_X, Tr_0_0_0),
5241 SymOp(Rot_mZ_Y_X, Tr_0_0_0),
5242 SymOp(Rot_mZ_mY_mX, Tr_0_0_0),
5243 SymOp(Rot_X_Y_Z, Tr_12_12_12),
5244 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
5245 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
5246 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
5247 SymOp(Rot_Z_X_Y, Tr_12_12_12),
5248 SymOp(Rot_Z_mX_mY, Tr_12_12_12),
5249 SymOp(Rot_mZ_mX_Y, Tr_12_12_12),
5250 SymOp(Rot_mZ_X_mY, Tr_12_12_12),
5251 SymOp(Rot_Y_Z_X, Tr_12_12_12),
5252 SymOp(Rot_mY_Z_mX, Tr_12_12_12),
5253 SymOp(Rot_Y_mZ_mX, Tr_12_12_12),
5254 SymOp(Rot_mY_mZ_X, Tr_12_12_12),
5255 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
5256 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
5257 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
5258 SymOp(Rot_mY_X_Z, Tr_12_12_12),
5259 SymOp(Rot_X_Z_mY, Tr_12_12_12),
5260 SymOp(Rot_mX_Z_Y, Tr_12_12_12),
5261 SymOp(Rot_mX_mZ_mY, Tr_12_12_12),
5262 SymOp(Rot_X_mZ_Y, Tr_12_12_12),
5263 SymOp(Rot_Z_Y_mX, Tr_12_12_12),
5264 SymOp(Rot_Z_mY_X, Tr_12_12_12),
5265 SymOp(Rot_mZ_Y_X, Tr_12_12_12),
5266 SymOp(Rot_mZ_mY_mX, Tr_12_12_12)])
5267
5268 sg212 = SpaceGroup(
5269 number = 212,
5270 num_sym_equiv = 24,
5271 num_primitive_sym_equiv = 24,
5272 short_name = "P4332",
5273 point_group_name = "PG432",
5274 crystal_system = "CUBIC",
5275 pdb_name = "P 43 3 2",
5276 symop_list = [
5277 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5278 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
5279 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
5280 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
5281 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5282 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
5283 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
5284 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
5285 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5286 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
5287 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
5288 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
5289 SymOp(Rot_Y_X_mZ, Tr_14_34_34),
5290 SymOp(Rot_mY_mX_mZ, Tr_14_14_14),
5291 SymOp(Rot_Y_mX_Z, Tr_34_34_14),
5292 SymOp(Rot_mY_X_Z, Tr_34_14_34),
5293 SymOp(Rot_X_Z_mY, Tr_14_34_34),
5294 SymOp(Rot_mX_Z_Y, Tr_34_14_34),
5295 SymOp(Rot_mX_mZ_mY, Tr_14_14_14),
5296 SymOp(Rot_X_mZ_Y, Tr_34_34_14),
5297 SymOp(Rot_Z_Y_mX, Tr_14_34_34),
5298 SymOp(Rot_Z_mY_X, Tr_34_34_14),
5299 SymOp(Rot_mZ_Y_X, Tr_34_14_34),
5300 SymOp(Rot_mZ_mY_mX, Tr_14_14_14)])
5301
5302 sg213 = SpaceGroup(
5303 number = 213,
5304 num_sym_equiv = 24,
5305 num_primitive_sym_equiv = 24,
5306 short_name = "P4132",
5307 point_group_name = "PG432",
5308 crystal_system = "CUBIC",
5309 pdb_name = "P 41 3 2",
5310 symop_list = [
5311 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5312 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
5313 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
5314 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
5315 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5316 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
5317 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
5318 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
5319 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5320 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
5321 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
5322 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
5323 SymOp(Rot_Y_X_mZ, Tr_34_14_14),
5324 SymOp(Rot_mY_mX_mZ, Tr_34_34_34),
5325 SymOp(Rot_Y_mX_Z, Tr_14_14_34),
5326 SymOp(Rot_mY_X_Z, Tr_14_34_14),
5327 SymOp(Rot_X_Z_mY, Tr_34_14_14),
5328 SymOp(Rot_mX_Z_Y, Tr_14_34_14),
5329 SymOp(Rot_mX_mZ_mY, Tr_34_34_34),
5330 SymOp(Rot_X_mZ_Y, Tr_14_14_34),
5331 SymOp(Rot_Z_Y_mX, Tr_34_14_14),
5332 SymOp(Rot_Z_mY_X, Tr_14_14_34),
5333 SymOp(Rot_mZ_Y_X, Tr_14_34_14),
5334 SymOp(Rot_mZ_mY_mX, Tr_34_34_34)])
5335
5336 sg214 = SpaceGroup(
5337 number = 214,
5338 num_sym_equiv = 48,
5339 num_primitive_sym_equiv = 24,
5340 short_name = "I4132",
5341 point_group_name = "PG432",
5342 crystal_system = "CUBIC",
5343 pdb_name = "I 41 3 2",
5344 symop_list = [
5345 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5346 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
5347 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
5348 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
5349 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5350 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
5351 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
5352 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
5353 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5354 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
5355 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
5356 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
5357 SymOp(Rot_Y_X_mZ, Tr_34_14_14),
5358 SymOp(Rot_mY_mX_mZ, Tr_34_34_34),
5359 SymOp(Rot_Y_mX_Z, Tr_14_14_34),
5360 SymOp(Rot_mY_X_Z, Tr_14_34_14),
5361 SymOp(Rot_X_Z_mY, Tr_34_14_14),
5362 SymOp(Rot_mX_Z_Y, Tr_14_34_14),
5363 SymOp(Rot_mX_mZ_mY, Tr_34_34_34),
5364 SymOp(Rot_X_mZ_Y, Tr_14_14_34),
5365 SymOp(Rot_Z_Y_mX, Tr_34_14_14),
5366 SymOp(Rot_Z_mY_X, Tr_14_14_34),
5367 SymOp(Rot_mZ_Y_X, Tr_14_34_14),
5368 SymOp(Rot_mZ_mY_mX, Tr_34_34_34),
5369 SymOp(Rot_X_Y_Z, Tr_12_12_12),
5370 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
5371 SymOp(Rot_mX_Y_mZ, Tr_12_0_0),
5372 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
5373 SymOp(Rot_Z_X_Y, Tr_12_12_12),
5374 SymOp(Rot_Z_mX_mY, Tr_0_0_12),
5375 SymOp(Rot_mZ_mX_Y, Tr_0_12_0),
5376 SymOp(Rot_mZ_X_mY, Tr_12_0_0),
5377 SymOp(Rot_Y_Z_X, Tr_12_12_12),
5378 SymOp(Rot_mY_Z_mX, Tr_12_0_0),
5379 SymOp(Rot_Y_mZ_mX, Tr_0_0_12),
5380 SymOp(Rot_mY_mZ_X, Tr_0_12_0),
5381 SymOp(Rot_Y_X_mZ, Tr_14_34_34),
5382 SymOp(Rot_mY_mX_mZ, Tr_14_14_14),
5383 SymOp(Rot_Y_mX_Z, Tr_34_34_14),
5384 SymOp(Rot_mY_X_Z, Tr_34_14_34),
5385 SymOp(Rot_X_Z_mY, Tr_14_34_34),
5386 SymOp(Rot_mX_Z_Y, Tr_34_14_34),
5387 SymOp(Rot_mX_mZ_mY, Tr_14_14_14),
5388 SymOp(Rot_X_mZ_Y, Tr_34_34_14),
5389 SymOp(Rot_Z_Y_mX, Tr_14_34_34),
5390 SymOp(Rot_Z_mY_X, Tr_34_34_14),
5391 SymOp(Rot_mZ_Y_X, Tr_34_14_34),
5392 SymOp(Rot_mZ_mY_mX, Tr_14_14_14)])
5393
5394 sg215 = SpaceGroup(
5395 number = 215,
5396 num_sym_equiv = 24,
5397 num_primitive_sym_equiv = 24,
5398 short_name = "P-43m",
5399 point_group_name = "PG4bar3m",
5400 crystal_system = "CUBIC",
5401 pdb_name = "P -4 3 m",
5402 symop_list = [
5403 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5404 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5405 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5406 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5407 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5408 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5409 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5410 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5411 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5412 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5413 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5414 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5415 SymOp(Rot_Y_X_Z, Tr_0_0_0),
5416 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
5417 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
5418 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
5419 SymOp(Rot_X_Z_Y, Tr_0_0_0),
5420 SymOp(Rot_mX_Z_mY, Tr_0_0_0),
5421 SymOp(Rot_mX_mZ_Y, Tr_0_0_0),
5422 SymOp(Rot_X_mZ_mY, Tr_0_0_0),
5423 SymOp(Rot_Z_Y_X, Tr_0_0_0),
5424 SymOp(Rot_Z_mY_mX, Tr_0_0_0),
5425 SymOp(Rot_mZ_Y_mX, Tr_0_0_0),
5426 SymOp(Rot_mZ_mY_X, Tr_0_0_0)])
5427
5428 sg216 = SpaceGroup(
5429 number = 216,
5430 num_sym_equiv = 96,
5431 num_primitive_sym_equiv = 24,
5432 short_name = "F-43m",
5433 point_group_name = "PG4bar3m",
5434 crystal_system = "CUBIC",
5435 pdb_name = "F -4 3 m",
5436 symop_list = [
5437 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5438 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5439 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5440 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5441 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5442 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5443 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5444 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5445 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5446 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5447 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5448 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5449 SymOp(Rot_Y_X_Z, Tr_0_0_0),
5450 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
5451 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
5452 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
5453 SymOp(Rot_X_Z_Y, Tr_0_0_0),
5454 SymOp(Rot_mX_Z_mY, Tr_0_0_0),
5455 SymOp(Rot_mX_mZ_Y, Tr_0_0_0),
5456 SymOp(Rot_X_mZ_mY, Tr_0_0_0),
5457 SymOp(Rot_Z_Y_X, Tr_0_0_0),
5458 SymOp(Rot_Z_mY_mX, Tr_0_0_0),
5459 SymOp(Rot_mZ_Y_mX, Tr_0_0_0),
5460 SymOp(Rot_mZ_mY_X, Tr_0_0_0),
5461 SymOp(Rot_X_Y_Z, Tr_0_12_12),
5462 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
5463 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
5464 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
5465 SymOp(Rot_Z_X_Y, Tr_0_12_12),
5466 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
5467 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
5468 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
5469 SymOp(Rot_Y_Z_X, Tr_0_12_12),
5470 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
5471 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
5472 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
5473 SymOp(Rot_Y_X_Z, Tr_0_12_12),
5474 SymOp(Rot_mY_mX_Z, Tr_0_12_12),
5475 SymOp(Rot_Y_mX_mZ, Tr_0_12_12),
5476 SymOp(Rot_mY_X_mZ, Tr_0_12_12),
5477 SymOp(Rot_X_Z_Y, Tr_0_12_12),
5478 SymOp(Rot_mX_Z_mY, Tr_0_12_12),
5479 SymOp(Rot_mX_mZ_Y, Tr_0_12_12),
5480 SymOp(Rot_X_mZ_mY, Tr_0_12_12),
5481 SymOp(Rot_Z_Y_X, Tr_0_12_12),
5482 SymOp(Rot_Z_mY_mX, Tr_0_12_12),
5483 SymOp(Rot_mZ_Y_mX, Tr_0_12_12),
5484 SymOp(Rot_mZ_mY_X, Tr_0_12_12),
5485 SymOp(Rot_X_Y_Z, Tr_12_0_12),
5486 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
5487 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
5488 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
5489 SymOp(Rot_Z_X_Y, Tr_12_0_12),
5490 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
5491 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
5492 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
5493 SymOp(Rot_Y_Z_X, Tr_12_0_12),
5494 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
5495 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
5496 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
5497 SymOp(Rot_Y_X_Z, Tr_12_0_12),
5498 SymOp(Rot_mY_mX_Z, Tr_12_0_12),
5499 SymOp(Rot_Y_mX_mZ, Tr_12_0_12),
5500 SymOp(Rot_mY_X_mZ, Tr_12_0_12),
5501 SymOp(Rot_X_Z_Y, Tr_12_0_12),
5502 SymOp(Rot_mX_Z_mY, Tr_12_0_12),
5503 SymOp(Rot_mX_mZ_Y, Tr_12_0_12),
5504 SymOp(Rot_X_mZ_mY, Tr_12_0_12),
5505 SymOp(Rot_Z_Y_X, Tr_12_0_12),
5506 SymOp(Rot_Z_mY_mX, Tr_12_0_12),
5507 SymOp(Rot_mZ_Y_mX, Tr_12_0_12),
5508 SymOp(Rot_mZ_mY_X, Tr_12_0_12),
5509 SymOp(Rot_X_Y_Z, Tr_12_12_0),
5510 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
5511 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
5512 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
5513 SymOp(Rot_Z_X_Y, Tr_12_12_0),
5514 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
5515 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
5516 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
5517 SymOp(Rot_Y_Z_X, Tr_12_12_0),
5518 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
5519 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
5520 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
5521 SymOp(Rot_Y_X_Z, Tr_12_12_0),
5522 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
5523 SymOp(Rot_Y_mX_mZ, Tr_12_12_0),
5524 SymOp(Rot_mY_X_mZ, Tr_12_12_0),
5525 SymOp(Rot_X_Z_Y, Tr_12_12_0),
5526 SymOp(Rot_mX_Z_mY, Tr_12_12_0),
5527 SymOp(Rot_mX_mZ_Y, Tr_12_12_0),
5528 SymOp(Rot_X_mZ_mY, Tr_12_12_0),
5529 SymOp(Rot_Z_Y_X, Tr_12_12_0),
5530 SymOp(Rot_Z_mY_mX, Tr_12_12_0),
5531 SymOp(Rot_mZ_Y_mX, Tr_12_12_0),
5532 SymOp(Rot_mZ_mY_X, Tr_12_12_0)])
5533
5534 sg217 = SpaceGroup(
5535 number = 217,
5536 num_sym_equiv = 48,
5537 num_primitive_sym_equiv = 24,
5538 short_name = "I-43m",
5539 point_group_name = "PG4bar3m",
5540 crystal_system = "CUBIC",
5541 pdb_name = "I -4 3 m",
5542 symop_list = [
5543 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5544 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5545 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5546 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5547 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5548 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5549 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5550 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5551 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5552 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5553 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5554 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5555 SymOp(Rot_Y_X_Z, Tr_0_0_0),
5556 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
5557 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
5558 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
5559 SymOp(Rot_X_Z_Y, Tr_0_0_0),
5560 SymOp(Rot_mX_Z_mY, Tr_0_0_0),
5561 SymOp(Rot_mX_mZ_Y, Tr_0_0_0),
5562 SymOp(Rot_X_mZ_mY, Tr_0_0_0),
5563 SymOp(Rot_Z_Y_X, Tr_0_0_0),
5564 SymOp(Rot_Z_mY_mX, Tr_0_0_0),
5565 SymOp(Rot_mZ_Y_mX, Tr_0_0_0),
5566 SymOp(Rot_mZ_mY_X, Tr_0_0_0),
5567 SymOp(Rot_X_Y_Z, Tr_12_12_12),
5568 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
5569 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
5570 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
5571 SymOp(Rot_Z_X_Y, Tr_12_12_12),
5572 SymOp(Rot_Z_mX_mY, Tr_12_12_12),
5573 SymOp(Rot_mZ_mX_Y, Tr_12_12_12),
5574 SymOp(Rot_mZ_X_mY, Tr_12_12_12),
5575 SymOp(Rot_Y_Z_X, Tr_12_12_12),
5576 SymOp(Rot_mY_Z_mX, Tr_12_12_12),
5577 SymOp(Rot_Y_mZ_mX, Tr_12_12_12),
5578 SymOp(Rot_mY_mZ_X, Tr_12_12_12),
5579 SymOp(Rot_Y_X_Z, Tr_12_12_12),
5580 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
5581 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
5582 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
5583 SymOp(Rot_X_Z_Y, Tr_12_12_12),
5584 SymOp(Rot_mX_Z_mY, Tr_12_12_12),
5585 SymOp(Rot_mX_mZ_Y, Tr_12_12_12),
5586 SymOp(Rot_X_mZ_mY, Tr_12_12_12),
5587 SymOp(Rot_Z_Y_X, Tr_12_12_12),
5588 SymOp(Rot_Z_mY_mX, Tr_12_12_12),
5589 SymOp(Rot_mZ_Y_mX, Tr_12_12_12),
5590 SymOp(Rot_mZ_mY_X, Tr_12_12_12)])
5591
5592 sg218 = SpaceGroup(
5593 number = 218,
5594 num_sym_equiv = 24,
5595 num_primitive_sym_equiv = 24,
5596 short_name = "P-43n",
5597 point_group_name = "PG4bar3m",
5598 crystal_system = "CUBIC",
5599 pdb_name = "P -4 3 n",
5600 symop_list = [
5601 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5602 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5603 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5604 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5605 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5606 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5607 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5608 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5609 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5610 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5611 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5612 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5613 SymOp(Rot_Y_X_Z, Tr_12_12_12),
5614 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
5615 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
5616 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
5617 SymOp(Rot_X_Z_Y, Tr_12_12_12),
5618 SymOp(Rot_mX_Z_mY, Tr_12_12_12),
5619 SymOp(Rot_mX_mZ_Y, Tr_12_12_12),
5620 SymOp(Rot_X_mZ_mY, Tr_12_12_12),
5621 SymOp(Rot_Z_Y_X, Tr_12_12_12),
5622 SymOp(Rot_Z_mY_mX, Tr_12_12_12),
5623 SymOp(Rot_mZ_Y_mX, Tr_12_12_12),
5624 SymOp(Rot_mZ_mY_X, Tr_12_12_12)])
5625
5626 sg219 = SpaceGroup(
5627 number = 219,
5628 num_sym_equiv = 96,
5629 num_primitive_sym_equiv = 24,
5630 short_name = "F-43c",
5631 point_group_name = "PG4bar3m",
5632 crystal_system = "CUBIC",
5633 pdb_name = "F -4 3 c",
5634 symop_list = [
5635 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5636 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5637 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5638 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5639 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5640 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5641 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5642 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5643 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5644 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5645 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5646 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5647 SymOp(Rot_Y_X_Z, Tr_12_12_12),
5648 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
5649 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
5650 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
5651 SymOp(Rot_X_Z_Y, Tr_12_12_12),
5652 SymOp(Rot_mX_Z_mY, Tr_12_12_12),
5653 SymOp(Rot_mX_mZ_Y, Tr_12_12_12),
5654 SymOp(Rot_X_mZ_mY, Tr_12_12_12),
5655 SymOp(Rot_Z_Y_X, Tr_12_12_12),
5656 SymOp(Rot_Z_mY_mX, Tr_12_12_12),
5657 SymOp(Rot_mZ_Y_mX, Tr_12_12_12),
5658 SymOp(Rot_mZ_mY_X, Tr_12_12_12),
5659 SymOp(Rot_X_Y_Z, Tr_0_12_12),
5660 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
5661 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
5662 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
5663 SymOp(Rot_Z_X_Y, Tr_0_12_12),
5664 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
5665 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
5666 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
5667 SymOp(Rot_Y_Z_X, Tr_0_12_12),
5668 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
5669 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
5670 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
5671 SymOp(Rot_Y_X_Z, Tr_12_0_0),
5672 SymOp(Rot_mY_mX_Z, Tr_12_0_0),
5673 SymOp(Rot_Y_mX_mZ, Tr_12_0_0),
5674 SymOp(Rot_mY_X_mZ, Tr_12_0_0),
5675 SymOp(Rot_X_Z_Y, Tr_12_0_0),
5676 SymOp(Rot_mX_Z_mY, Tr_12_0_0),
5677 SymOp(Rot_mX_mZ_Y, Tr_12_0_0),
5678 SymOp(Rot_X_mZ_mY, Tr_12_0_0),
5679 SymOp(Rot_Z_Y_X, Tr_12_0_0),
5680 SymOp(Rot_Z_mY_mX, Tr_12_0_0),
5681 SymOp(Rot_mZ_Y_mX, Tr_12_0_0),
5682 SymOp(Rot_mZ_mY_X, Tr_12_0_0),
5683 SymOp(Rot_X_Y_Z, Tr_12_0_12),
5684 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
5685 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
5686 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
5687 SymOp(Rot_Z_X_Y, Tr_12_0_12),
5688 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
5689 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
5690 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
5691 SymOp(Rot_Y_Z_X, Tr_12_0_12),
5692 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
5693 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
5694 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
5695 SymOp(Rot_Y_X_Z, Tr_0_12_0),
5696 SymOp(Rot_mY_mX_Z, Tr_0_12_0),
5697 SymOp(Rot_Y_mX_mZ, Tr_0_12_0),
5698 SymOp(Rot_mY_X_mZ, Tr_0_12_0),
5699 SymOp(Rot_X_Z_Y, Tr_0_12_0),
5700 SymOp(Rot_mX_Z_mY, Tr_0_12_0),
5701 SymOp(Rot_mX_mZ_Y, Tr_0_12_0),
5702 SymOp(Rot_X_mZ_mY, Tr_0_12_0),
5703 SymOp(Rot_Z_Y_X, Tr_0_12_0),
5704 SymOp(Rot_Z_mY_mX, Tr_0_12_0),
5705 SymOp(Rot_mZ_Y_mX, Tr_0_12_0),
5706 SymOp(Rot_mZ_mY_X, Tr_0_12_0),
5707 SymOp(Rot_X_Y_Z, Tr_12_12_0),
5708 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
5709 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
5710 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
5711 SymOp(Rot_Z_X_Y, Tr_12_12_0),
5712 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
5713 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
5714 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
5715 SymOp(Rot_Y_Z_X, Tr_12_12_0),
5716 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
5717 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
5718 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
5719 SymOp(Rot_Y_X_Z, Tr_0_0_12),
5720 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
5721 SymOp(Rot_Y_mX_mZ, Tr_0_0_12),
5722 SymOp(Rot_mY_X_mZ, Tr_0_0_12),
5723 SymOp(Rot_X_Z_Y, Tr_0_0_12),
5724 SymOp(Rot_mX_Z_mY, Tr_0_0_12),
5725 SymOp(Rot_mX_mZ_Y, Tr_0_0_12),
5726 SymOp(Rot_X_mZ_mY, Tr_0_0_12),
5727 SymOp(Rot_Z_Y_X, Tr_0_0_12),
5728 SymOp(Rot_Z_mY_mX, Tr_0_0_12),
5729 SymOp(Rot_mZ_Y_mX, Tr_0_0_12),
5730 SymOp(Rot_mZ_mY_X, Tr_0_0_12)])
5731
5732 sg220 = SpaceGroup(
5733 number = 220,
5734 num_sym_equiv = 48,
5735 num_primitive_sym_equiv = 24,
5736 short_name = "I-43d",
5737 point_group_name = "PG4bar3m",
5738 crystal_system = "CUBIC",
5739 pdb_name = "I -4 3 d",
5740 symop_list = [
5741 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5742 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
5743 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
5744 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
5745 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5746 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
5747 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
5748 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
5749 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5750 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
5751 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
5752 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
5753 SymOp(Rot_Y_X_Z, Tr_14_14_14),
5754 SymOp(Rot_mY_mX_Z, Tr_14_34_34),
5755 SymOp(Rot_Y_mX_mZ, Tr_34_14_34),
5756 SymOp(Rot_mY_X_mZ, Tr_34_34_14),
5757 SymOp(Rot_X_Z_Y, Tr_14_14_14),
5758 SymOp(Rot_mX_Z_mY, Tr_34_34_14),
5759 SymOp(Rot_mX_mZ_Y, Tr_14_34_34),
5760 SymOp(Rot_X_mZ_mY, Tr_34_14_34),
5761 SymOp(Rot_Z_Y_X, Tr_14_14_14),
5762 SymOp(Rot_Z_mY_mX, Tr_34_14_34),
5763 SymOp(Rot_mZ_Y_mX, Tr_34_34_14),
5764 SymOp(Rot_mZ_mY_X, Tr_14_34_34),
5765 SymOp(Rot_X_Y_Z, Tr_12_12_12),
5766 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
5767 SymOp(Rot_mX_Y_mZ, Tr_12_0_0),
5768 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
5769 SymOp(Rot_Z_X_Y, Tr_12_12_12),
5770 SymOp(Rot_Z_mX_mY, Tr_0_0_12),
5771 SymOp(Rot_mZ_mX_Y, Tr_0_12_0),
5772 SymOp(Rot_mZ_X_mY, Tr_12_0_0),
5773 SymOp(Rot_Y_Z_X, Tr_12_12_12),
5774 SymOp(Rot_mY_Z_mX, Tr_12_0_0),
5775 SymOp(Rot_Y_mZ_mX, Tr_0_0_12),
5776 SymOp(Rot_mY_mZ_X, Tr_0_12_0),
5777 SymOp(Rot_Y_X_Z, Tr_34_34_34),
5778 SymOp(Rot_mY_mX_Z, Tr_34_14_14),
5779 SymOp(Rot_Y_mX_mZ, Tr_14_34_14),
5780 SymOp(Rot_mY_X_mZ, Tr_14_14_34),
5781 SymOp(Rot_X_Z_Y, Tr_34_34_34),
5782 SymOp(Rot_mX_Z_mY, Tr_14_14_34),
5783 SymOp(Rot_mX_mZ_Y, Tr_34_14_14),
5784 SymOp(Rot_X_mZ_mY, Tr_14_34_14),
5785 SymOp(Rot_Z_Y_X, Tr_34_34_34),
5786 SymOp(Rot_Z_mY_mX, Tr_14_34_14),
5787 SymOp(Rot_mZ_Y_mX, Tr_14_14_34),
5788 SymOp(Rot_mZ_mY_X, Tr_34_14_14)])
5789
5790 sg221 = SpaceGroup(
5791 number = 221,
5792 num_sym_equiv = 48,
5793 num_primitive_sym_equiv = 48,
5794 short_name = "Pm-3m",
5795 point_group_name = "PGm3barm",
5796 crystal_system = "CUBIC",
5797 pdb_name = "P 4/m -3 2/m",
5798 symop_list = [
5799 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5800 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5801 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5802 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5803 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5804 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5805 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5806 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5807 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5808 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5809 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5810 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5811 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
5812 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
5813 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
5814 SymOp(Rot_mY_X_Z, Tr_0_0_0),
5815 SymOp(Rot_X_Z_mY, Tr_0_0_0),
5816 SymOp(Rot_mX_Z_Y, Tr_0_0_0),
5817 SymOp(Rot_mX_mZ_mY, Tr_0_0_0),
5818 SymOp(Rot_X_mZ_Y, Tr_0_0_0),
5819 SymOp(Rot_Z_Y_mX, Tr_0_0_0),
5820 SymOp(Rot_Z_mY_X, Tr_0_0_0),
5821 SymOp(Rot_mZ_Y_X, Tr_0_0_0),
5822 SymOp(Rot_mZ_mY_mX, Tr_0_0_0),
5823 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
5824 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
5825 SymOp(Rot_X_mY_Z, Tr_0_0_0),
5826 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
5827 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
5828 SymOp(Rot_mZ_X_Y, Tr_0_0_0),
5829 SymOp(Rot_Z_X_mY, Tr_0_0_0),
5830 SymOp(Rot_Z_mX_Y, Tr_0_0_0),
5831 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
5832 SymOp(Rot_Y_mZ_X, Tr_0_0_0),
5833 SymOp(Rot_mY_Z_X, Tr_0_0_0),
5834 SymOp(Rot_Y_Z_mX, Tr_0_0_0),
5835 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
5836 SymOp(Rot_Y_X_Z, Tr_0_0_0),
5837 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
5838 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
5839 SymOp(Rot_mX_mZ_Y, Tr_0_0_0),
5840 SymOp(Rot_X_mZ_mY, Tr_0_0_0),
5841 SymOp(Rot_X_Z_Y, Tr_0_0_0),
5842 SymOp(Rot_mX_Z_mY, Tr_0_0_0),
5843 SymOp(Rot_mZ_mY_X, Tr_0_0_0),
5844 SymOp(Rot_mZ_Y_mX, Tr_0_0_0),
5845 SymOp(Rot_Z_mY_mX, Tr_0_0_0),
5846 SymOp(Rot_Z_Y_X, Tr_0_0_0)])
5847
5848 sg222 = SpaceGroup(
5849 number = 222,
5850 num_sym_equiv = 48,
5851 num_primitive_sym_equiv = 48,
5852 short_name = "Pn-3n",
5853 point_group_name = "PGm3barm",
5854 crystal_system = "CUBIC",
5855 pdb_name = "P 4/n -3 2/n",
5856 symop_list = [
5857 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5858 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5859 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5860 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5861 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5862 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5863 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5864 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5865 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5866 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5867 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5868 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5869 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
5870 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
5871 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
5872 SymOp(Rot_mY_X_Z, Tr_0_0_0),
5873 SymOp(Rot_X_Z_mY, Tr_0_0_0),
5874 SymOp(Rot_mX_Z_Y, Tr_0_0_0),
5875 SymOp(Rot_mX_mZ_mY, Tr_0_0_0),
5876 SymOp(Rot_X_mZ_Y, Tr_0_0_0),
5877 SymOp(Rot_Z_Y_mX, Tr_0_0_0),
5878 SymOp(Rot_Z_mY_X, Tr_0_0_0),
5879 SymOp(Rot_mZ_Y_X, Tr_0_0_0),
5880 SymOp(Rot_mZ_mY_mX, Tr_0_0_0),
5881 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
5882 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
5883 SymOp(Rot_X_mY_Z, Tr_12_12_12),
5884 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
5885 SymOp(Rot_mZ_mX_mY, Tr_12_12_12),
5886 SymOp(Rot_mZ_X_Y, Tr_12_12_12),
5887 SymOp(Rot_Z_X_mY, Tr_12_12_12),
5888 SymOp(Rot_Z_mX_Y, Tr_12_12_12),
5889 SymOp(Rot_mY_mZ_mX, Tr_12_12_12),
5890 SymOp(Rot_Y_mZ_X, Tr_12_12_12),
5891 SymOp(Rot_mY_Z_X, Tr_12_12_12),
5892 SymOp(Rot_Y_Z_mX, Tr_12_12_12),
5893 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
5894 SymOp(Rot_Y_X_Z, Tr_12_12_12),
5895 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
5896 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
5897 SymOp(Rot_mX_mZ_Y, Tr_12_12_12),
5898 SymOp(Rot_X_mZ_mY, Tr_12_12_12),
5899 SymOp(Rot_X_Z_Y, Tr_12_12_12),
5900 SymOp(Rot_mX_Z_mY, Tr_12_12_12),
5901 SymOp(Rot_mZ_mY_X, Tr_12_12_12),
5902 SymOp(Rot_mZ_Y_mX, Tr_12_12_12),
5903 SymOp(Rot_Z_mY_mX, Tr_12_12_12),
5904 SymOp(Rot_Z_Y_X, Tr_12_12_12)])
5905
5906 sg223 = SpaceGroup(
5907 number = 223,
5908 num_sym_equiv = 48,
5909 num_primitive_sym_equiv = 48,
5910 short_name = "Pm-3n",
5911 point_group_name = "PGm3barm",
5912 crystal_system = "CUBIC",
5913 pdb_name = "P 42/m -3 2/n",
5914 symop_list = [
5915 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5916 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5917 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5918 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5919 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5920 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5921 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5922 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5923 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5924 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5925 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5926 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5927 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
5928 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
5929 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
5930 SymOp(Rot_mY_X_Z, Tr_12_12_12),
5931 SymOp(Rot_X_Z_mY, Tr_12_12_12),
5932 SymOp(Rot_mX_Z_Y, Tr_12_12_12),
5933 SymOp(Rot_mX_mZ_mY, Tr_12_12_12),
5934 SymOp(Rot_X_mZ_Y, Tr_12_12_12),
5935 SymOp(Rot_Z_Y_mX, Tr_12_12_12),
5936 SymOp(Rot_Z_mY_X, Tr_12_12_12),
5937 SymOp(Rot_mZ_Y_X, Tr_12_12_12),
5938 SymOp(Rot_mZ_mY_mX, Tr_12_12_12),
5939 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
5940 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
5941 SymOp(Rot_X_mY_Z, Tr_0_0_0),
5942 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
5943 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
5944 SymOp(Rot_mZ_X_Y, Tr_0_0_0),
5945 SymOp(Rot_Z_X_mY, Tr_0_0_0),
5946 SymOp(Rot_Z_mX_Y, Tr_0_0_0),
5947 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
5948 SymOp(Rot_Y_mZ_X, Tr_0_0_0),
5949 SymOp(Rot_mY_Z_X, Tr_0_0_0),
5950 SymOp(Rot_Y_Z_mX, Tr_0_0_0),
5951 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
5952 SymOp(Rot_Y_X_Z, Tr_12_12_12),
5953 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
5954 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
5955 SymOp(Rot_mX_mZ_Y, Tr_12_12_12),
5956 SymOp(Rot_X_mZ_mY, Tr_12_12_12),
5957 SymOp(Rot_X_Z_Y, Tr_12_12_12),
5958 SymOp(Rot_mX_Z_mY, Tr_12_12_12),
5959 SymOp(Rot_mZ_mY_X, Tr_12_12_12),
5960 SymOp(Rot_mZ_Y_mX, Tr_12_12_12),
5961 SymOp(Rot_Z_mY_mX, Tr_12_12_12),
5962 SymOp(Rot_Z_Y_X, Tr_12_12_12)])
5963
5964 sg224 = SpaceGroup(
5965 number = 224,
5966 num_sym_equiv = 48,
5967 num_primitive_sym_equiv = 48,
5968 short_name = "Pn-3m",
5969 point_group_name = "PGm3barm",
5970 crystal_system = "CUBIC",
5971 pdb_name = "P 42/n -3 2/m",
5972 symop_list = [
5973 SymOp(Rot_X_Y_Z, Tr_0_0_0),
5974 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
5975 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
5976 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
5977 SymOp(Rot_Z_X_Y, Tr_0_0_0),
5978 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
5979 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
5980 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
5981 SymOp(Rot_Y_Z_X, Tr_0_0_0),
5982 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
5983 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
5984 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
5985 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
5986 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
5987 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
5988 SymOp(Rot_mY_X_Z, Tr_12_12_12),
5989 SymOp(Rot_X_Z_mY, Tr_12_12_12),
5990 SymOp(Rot_mX_Z_Y, Tr_12_12_12),
5991 SymOp(Rot_mX_mZ_mY, Tr_12_12_12),
5992 SymOp(Rot_X_mZ_Y, Tr_12_12_12),
5993 SymOp(Rot_Z_Y_mX, Tr_12_12_12),
5994 SymOp(Rot_Z_mY_X, Tr_12_12_12),
5995 SymOp(Rot_mZ_Y_X, Tr_12_12_12),
5996 SymOp(Rot_mZ_mY_mX, Tr_12_12_12),
5997 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
5998 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
5999 SymOp(Rot_X_mY_Z, Tr_12_12_12),
6000 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
6001 SymOp(Rot_mZ_mX_mY, Tr_12_12_12),
6002 SymOp(Rot_mZ_X_Y, Tr_12_12_12),
6003 SymOp(Rot_Z_X_mY, Tr_12_12_12),
6004 SymOp(Rot_Z_mX_Y, Tr_12_12_12),
6005 SymOp(Rot_mY_mZ_mX, Tr_12_12_12),
6006 SymOp(Rot_Y_mZ_X, Tr_12_12_12),
6007 SymOp(Rot_mY_Z_X, Tr_12_12_12),
6008 SymOp(Rot_Y_Z_mX, Tr_12_12_12),
6009 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
6010 SymOp(Rot_Y_X_Z, Tr_0_0_0),
6011 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
6012 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
6013 SymOp(Rot_mX_mZ_Y, Tr_0_0_0),
6014 SymOp(Rot_X_mZ_mY, Tr_0_0_0),
6015 SymOp(Rot_X_Z_Y, Tr_0_0_0),
6016 SymOp(Rot_mX_Z_mY, Tr_0_0_0),
6017 SymOp(Rot_mZ_mY_X, Tr_0_0_0),
6018 SymOp(Rot_mZ_Y_mX, Tr_0_0_0),
6019 SymOp(Rot_Z_mY_mX, Tr_0_0_0),
6020 SymOp(Rot_Z_Y_X, Tr_0_0_0)])
6021
6022 sg225 = SpaceGroup(
6023 number = 225,
6024 num_sym_equiv = 192,
6025 num_primitive_sym_equiv = 48,
6026 short_name = "Fm-3m",
6027 point_group_name = "PGm3barm",
6028 crystal_system = "CUBIC",
6029 pdb_name = "F 4/m -3 2/m",
6030 symop_list = [
6031 SymOp(Rot_X_Y_Z, Tr_0_0_0),
6032 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
6033 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
6034 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
6035 SymOp(Rot_Z_X_Y, Tr_0_0_0),
6036 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
6037 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
6038 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
6039 SymOp(Rot_Y_Z_X, Tr_0_0_0),
6040 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
6041 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
6042 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
6043 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
6044 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
6045 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
6046 SymOp(Rot_mY_X_Z, Tr_0_0_0),
6047 SymOp(Rot_X_Z_mY, Tr_0_0_0),
6048 SymOp(Rot_mX_Z_Y, Tr_0_0_0),
6049 SymOp(Rot_mX_mZ_mY, Tr_0_0_0),
6050 SymOp(Rot_X_mZ_Y, Tr_0_0_0),
6051 SymOp(Rot_Z_Y_mX, Tr_0_0_0),
6052 SymOp(Rot_Z_mY_X, Tr_0_0_0),
6053 SymOp(Rot_mZ_Y_X, Tr_0_0_0),
6054 SymOp(Rot_mZ_mY_mX, Tr_0_0_0),
6055 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
6056 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
6057 SymOp(Rot_X_mY_Z, Tr_0_0_0),
6058 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
6059 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
6060 SymOp(Rot_mZ_X_Y, Tr_0_0_0),
6061 SymOp(Rot_Z_X_mY, Tr_0_0_0),
6062 SymOp(Rot_Z_mX_Y, Tr_0_0_0),
6063 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
6064 SymOp(Rot_Y_mZ_X, Tr_0_0_0),
6065 SymOp(Rot_mY_Z_X, Tr_0_0_0),
6066 SymOp(Rot_Y_Z_mX, Tr_0_0_0),
6067 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
6068 SymOp(Rot_Y_X_Z, Tr_0_0_0),
6069 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
6070 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
6071 SymOp(Rot_mX_mZ_Y, Tr_0_0_0),
6072 SymOp(Rot_X_mZ_mY, Tr_0_0_0),
6073 SymOp(Rot_X_Z_Y, Tr_0_0_0),
6074 SymOp(Rot_mX_Z_mY, Tr_0_0_0),
6075 SymOp(Rot_mZ_mY_X, Tr_0_0_0),
6076 SymOp(Rot_mZ_Y_mX, Tr_0_0_0),
6077 SymOp(Rot_Z_mY_mX, Tr_0_0_0),
6078 SymOp(Rot_Z_Y_X, Tr_0_0_0),
6079 SymOp(Rot_X_Y_Z, Tr_0_12_12),
6080 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
6081 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
6082 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
6083 SymOp(Rot_Z_X_Y, Tr_0_12_12),
6084 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
6085 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
6086 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
6087 SymOp(Rot_Y_Z_X, Tr_0_12_12),
6088 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
6089 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
6090 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
6091 SymOp(Rot_Y_X_mZ, Tr_0_12_12),
6092 SymOp(Rot_mY_mX_mZ, Tr_0_12_12),
6093 SymOp(Rot_Y_mX_Z, Tr_0_12_12),
6094 SymOp(Rot_mY_X_Z, Tr_0_12_12),
6095 SymOp(Rot_X_Z_mY, Tr_0_12_12),
6096 SymOp(Rot_mX_Z_Y, Tr_0_12_12),
6097 SymOp(Rot_mX_mZ_mY, Tr_0_12_12),
6098 SymOp(Rot_X_mZ_Y, Tr_0_12_12),
6099 SymOp(Rot_Z_Y_mX, Tr_0_12_12),
6100 SymOp(Rot_Z_mY_X, Tr_0_12_12),
6101 SymOp(Rot_mZ_Y_X, Tr_0_12_12),
6102 SymOp(Rot_mZ_mY_mX, Tr_0_12_12),
6103 SymOp(Rot_mX_mY_mZ, Tr_0_12_12),
6104 SymOp(Rot_X_Y_mZ, Tr_0_12_12),
6105 SymOp(Rot_X_mY_Z, Tr_0_12_12),
6106 SymOp(Rot_mX_Y_Z, Tr_0_12_12),
6107 SymOp(Rot_mZ_mX_mY, Tr_0_12_12),
6108 SymOp(Rot_mZ_X_Y, Tr_0_12_12),
6109 SymOp(Rot_Z_X_mY, Tr_0_12_12),
6110 SymOp(Rot_Z_mX_Y, Tr_0_12_12),
6111 SymOp(Rot_mY_mZ_mX, Tr_0_12_12),
6112 SymOp(Rot_Y_mZ_X, Tr_0_12_12),
6113 SymOp(Rot_mY_Z_X, Tr_0_12_12),
6114 SymOp(Rot_Y_Z_mX, Tr_0_12_12),
6115 SymOp(Rot_mY_mX_Z, Tr_0_12_12),
6116 SymOp(Rot_Y_X_Z, Tr_0_12_12),
6117 SymOp(Rot_mY_X_mZ, Tr_0_12_12),
6118 SymOp(Rot_Y_mX_mZ, Tr_0_12_12),
6119 SymOp(Rot_mX_mZ_Y, Tr_0_12_12),
6120 SymOp(Rot_X_mZ_mY, Tr_0_12_12),
6121 SymOp(Rot_X_Z_Y, Tr_0_12_12),
6122 SymOp(Rot_mX_Z_mY, Tr_0_12_12),
6123 SymOp(Rot_mZ_mY_X, Tr_0_12_12),
6124 SymOp(Rot_mZ_Y_mX, Tr_0_12_12),
6125 SymOp(Rot_Z_mY_mX, Tr_0_12_12),
6126 SymOp(Rot_Z_Y_X, Tr_0_12_12),
6127 SymOp(Rot_X_Y_Z, Tr_12_0_12),
6128 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
6129 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
6130 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
6131 SymOp(Rot_Z_X_Y, Tr_12_0_12),
6132 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
6133 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
6134 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
6135 SymOp(Rot_Y_Z_X, Tr_12_0_12),
6136 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
6137 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
6138 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
6139 SymOp(Rot_Y_X_mZ, Tr_12_0_12),
6140 SymOp(Rot_mY_mX_mZ, Tr_12_0_12),
6141 SymOp(Rot_Y_mX_Z, Tr_12_0_12),
6142 SymOp(Rot_mY_X_Z, Tr_12_0_12),
6143 SymOp(Rot_X_Z_mY, Tr_12_0_12),
6144 SymOp(Rot_mX_Z_Y, Tr_12_0_12),
6145 SymOp(Rot_mX_mZ_mY, Tr_12_0_12),
6146 SymOp(Rot_X_mZ_Y, Tr_12_0_12),
6147 SymOp(Rot_Z_Y_mX, Tr_12_0_12),
6148 SymOp(Rot_Z_mY_X, Tr_12_0_12),
6149 SymOp(Rot_mZ_Y_X, Tr_12_0_12),
6150 SymOp(Rot_mZ_mY_mX, Tr_12_0_12),
6151 SymOp(Rot_mX_mY_mZ, Tr_12_0_12),
6152 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
6153 SymOp(Rot_X_mY_Z, Tr_12_0_12),
6154 SymOp(Rot_mX_Y_Z, Tr_12_0_12),
6155 SymOp(Rot_mZ_mX_mY, Tr_12_0_12),
6156 SymOp(Rot_mZ_X_Y, Tr_12_0_12),
6157 SymOp(Rot_Z_X_mY, Tr_12_0_12),
6158 SymOp(Rot_Z_mX_Y, Tr_12_0_12),
6159 SymOp(Rot_mY_mZ_mX, Tr_12_0_12),
6160 SymOp(Rot_Y_mZ_X, Tr_12_0_12),
6161 SymOp(Rot_mY_Z_X, Tr_12_0_12),
6162 SymOp(Rot_Y_Z_mX, Tr_12_0_12),
6163 SymOp(Rot_mY_mX_Z, Tr_12_0_12),
6164 SymOp(Rot_Y_X_Z, Tr_12_0_12),
6165 SymOp(Rot_mY_X_mZ, Tr_12_0_12),
6166 SymOp(Rot_Y_mX_mZ, Tr_12_0_12),
6167 SymOp(Rot_mX_mZ_Y, Tr_12_0_12),
6168 SymOp(Rot_X_mZ_mY, Tr_12_0_12),
6169 SymOp(Rot_X_Z_Y, Tr_12_0_12),
6170 SymOp(Rot_mX_Z_mY, Tr_12_0_12),
6171 SymOp(Rot_mZ_mY_X, Tr_12_0_12),
6172 SymOp(Rot_mZ_Y_mX, Tr_12_0_12),
6173 SymOp(Rot_Z_mY_mX, Tr_12_0_12),
6174 SymOp(Rot_Z_Y_X, Tr_12_0_12),
6175 SymOp(Rot_X_Y_Z, Tr_12_12_0),
6176 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
6177 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
6178 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
6179 SymOp(Rot_Z_X_Y, Tr_12_12_0),
6180 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
6181 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
6182 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
6183 SymOp(Rot_Y_Z_X, Tr_12_12_0),
6184 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
6185 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
6186 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
6187 SymOp(Rot_Y_X_mZ, Tr_12_12_0),
6188 SymOp(Rot_mY_mX_mZ, Tr_12_12_0),
6189 SymOp(Rot_Y_mX_Z, Tr_12_12_0),
6190 SymOp(Rot_mY_X_Z, Tr_12_12_0),
6191 SymOp(Rot_X_Z_mY, Tr_12_12_0),
6192 SymOp(Rot_mX_Z_Y, Tr_12_12_0),
6193 SymOp(Rot_mX_mZ_mY, Tr_12_12_0),
6194 SymOp(Rot_X_mZ_Y, Tr_12_12_0),
6195 SymOp(Rot_Z_Y_mX, Tr_12_12_0),
6196 SymOp(Rot_Z_mY_X, Tr_12_12_0),
6197 SymOp(Rot_mZ_Y_X, Tr_12_12_0),
6198 SymOp(Rot_mZ_mY_mX, Tr_12_12_0),
6199 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
6200 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
6201 SymOp(Rot_X_mY_Z, Tr_12_12_0),
6202 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
6203 SymOp(Rot_mZ_mX_mY, Tr_12_12_0),
6204 SymOp(Rot_mZ_X_Y, Tr_12_12_0),
6205 SymOp(Rot_Z_X_mY, Tr_12_12_0),
6206 SymOp(Rot_Z_mX_Y, Tr_12_12_0),
6207 SymOp(Rot_mY_mZ_mX, Tr_12_12_0),
6208 SymOp(Rot_Y_mZ_X, Tr_12_12_0),
6209 SymOp(Rot_mY_Z_X, Tr_12_12_0),
6210 SymOp(Rot_Y_Z_mX, Tr_12_12_0),
6211 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
6212 SymOp(Rot_Y_X_Z, Tr_12_12_0),
6213 SymOp(Rot_mY_X_mZ, Tr_12_12_0),
6214 SymOp(Rot_Y_mX_mZ, Tr_12_12_0),
6215 SymOp(Rot_mX_mZ_Y, Tr_12_12_0),
6216 SymOp(Rot_X_mZ_mY, Tr_12_12_0),
6217 SymOp(Rot_X_Z_Y, Tr_12_12_0),
6218 SymOp(Rot_mX_Z_mY, Tr_12_12_0),
6219 SymOp(Rot_mZ_mY_X, Tr_12_12_0),
6220 SymOp(Rot_mZ_Y_mX, Tr_12_12_0),
6221 SymOp(Rot_Z_mY_mX, Tr_12_12_0),
6222 SymOp(Rot_Z_Y_X, Tr_12_12_0)])
6223
6224 sg226 = SpaceGroup(
6225 number = 226,
6226 num_sym_equiv = 192,
6227 num_primitive_sym_equiv = 48,
6228 short_name = "Fm-3c",
6229 point_group_name = "PGm3barm",
6230 crystal_system = "CUBIC",
6231 pdb_name = "F 4/m -3 2/c",
6232 symop_list = [
6233 SymOp(Rot_X_Y_Z, Tr_0_0_0),
6234 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
6235 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
6236 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
6237 SymOp(Rot_Z_X_Y, Tr_0_0_0),
6238 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
6239 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
6240 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
6241 SymOp(Rot_Y_Z_X, Tr_0_0_0),
6242 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
6243 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
6244 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
6245 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
6246 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
6247 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
6248 SymOp(Rot_mY_X_Z, Tr_12_12_12),
6249 SymOp(Rot_X_Z_mY, Tr_12_12_12),
6250 SymOp(Rot_mX_Z_Y, Tr_12_12_12),
6251 SymOp(Rot_mX_mZ_mY, Tr_12_12_12),
6252 SymOp(Rot_X_mZ_Y, Tr_12_12_12),
6253 SymOp(Rot_Z_Y_mX, Tr_12_12_12),
6254 SymOp(Rot_Z_mY_X, Tr_12_12_12),
6255 SymOp(Rot_mZ_Y_X, Tr_12_12_12),
6256 SymOp(Rot_mZ_mY_mX, Tr_12_12_12),
6257 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
6258 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
6259 SymOp(Rot_X_mY_Z, Tr_0_0_0),
6260 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
6261 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
6262 SymOp(Rot_mZ_X_Y, Tr_0_0_0),
6263 SymOp(Rot_Z_X_mY, Tr_0_0_0),
6264 SymOp(Rot_Z_mX_Y, Tr_0_0_0),
6265 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
6266 SymOp(Rot_Y_mZ_X, Tr_0_0_0),
6267 SymOp(Rot_mY_Z_X, Tr_0_0_0),
6268 SymOp(Rot_Y_Z_mX, Tr_0_0_0),
6269 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
6270 SymOp(Rot_Y_X_Z, Tr_12_12_12),
6271 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
6272 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
6273 SymOp(Rot_mX_mZ_Y, Tr_12_12_12),
6274 SymOp(Rot_X_mZ_mY, Tr_12_12_12),
6275 SymOp(Rot_X_Z_Y, Tr_12_12_12),
6276 SymOp(Rot_mX_Z_mY, Tr_12_12_12),
6277 SymOp(Rot_mZ_mY_X, Tr_12_12_12),
6278 SymOp(Rot_mZ_Y_mX, Tr_12_12_12),
6279 SymOp(Rot_Z_mY_mX, Tr_12_12_12),
6280 SymOp(Rot_Z_Y_X, Tr_12_12_12),
6281 SymOp(Rot_X_Y_Z, Tr_0_12_12),
6282 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
6283 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
6284 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
6285 SymOp(Rot_Z_X_Y, Tr_0_12_12),
6286 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
6287 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
6288 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
6289 SymOp(Rot_Y_Z_X, Tr_0_12_12),
6290 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
6291 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
6292 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
6293 SymOp(Rot_Y_X_mZ, Tr_12_0_0),
6294 SymOp(Rot_mY_mX_mZ, Tr_12_0_0),
6295 SymOp(Rot_Y_mX_Z, Tr_12_0_0),
6296 SymOp(Rot_mY_X_Z, Tr_12_0_0),
6297 SymOp(Rot_X_Z_mY, Tr_12_0_0),
6298 SymOp(Rot_mX_Z_Y, Tr_12_0_0),
6299 SymOp(Rot_mX_mZ_mY, Tr_12_0_0),
6300 SymOp(Rot_X_mZ_Y, Tr_12_0_0),
6301 SymOp(Rot_Z_Y_mX, Tr_12_0_0),
6302 SymOp(Rot_Z_mY_X, Tr_12_0_0),
6303 SymOp(Rot_mZ_Y_X, Tr_12_0_0),
6304 SymOp(Rot_mZ_mY_mX, Tr_12_0_0),
6305 SymOp(Rot_mX_mY_mZ, Tr_0_12_12),
6306 SymOp(Rot_X_Y_mZ, Tr_0_12_12),
6307 SymOp(Rot_X_mY_Z, Tr_0_12_12),
6308 SymOp(Rot_mX_Y_Z, Tr_0_12_12),
6309 SymOp(Rot_mZ_mX_mY, Tr_0_12_12),
6310 SymOp(Rot_mZ_X_Y, Tr_0_12_12),
6311 SymOp(Rot_Z_X_mY, Tr_0_12_12),
6312 SymOp(Rot_Z_mX_Y, Tr_0_12_12),
6313 SymOp(Rot_mY_mZ_mX, Tr_0_12_12),
6314 SymOp(Rot_Y_mZ_X, Tr_0_12_12),
6315 SymOp(Rot_mY_Z_X, Tr_0_12_12),
6316 SymOp(Rot_Y_Z_mX, Tr_0_12_12),
6317 SymOp(Rot_mY_mX_Z, Tr_12_0_0),
6318 SymOp(Rot_Y_X_Z, Tr_12_0_0),
6319 SymOp(Rot_mY_X_mZ, Tr_12_0_0),
6320 SymOp(Rot_Y_mX_mZ, Tr_12_0_0),
6321 SymOp(Rot_mX_mZ_Y, Tr_12_0_0),
6322 SymOp(Rot_X_mZ_mY, Tr_12_0_0),
6323 SymOp(Rot_X_Z_Y, Tr_12_0_0),
6324 SymOp(Rot_mX_Z_mY, Tr_12_0_0),
6325 SymOp(Rot_mZ_mY_X, Tr_12_0_0),
6326 SymOp(Rot_mZ_Y_mX, Tr_12_0_0),
6327 SymOp(Rot_Z_mY_mX, Tr_12_0_0),
6328 SymOp(Rot_Z_Y_X, Tr_12_0_0),
6329 SymOp(Rot_X_Y_Z, Tr_12_0_12),
6330 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
6331 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
6332 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
6333 SymOp(Rot_Z_X_Y, Tr_12_0_12),
6334 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
6335 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
6336 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
6337 SymOp(Rot_Y_Z_X, Tr_12_0_12),
6338 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
6339 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
6340 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
6341 SymOp(Rot_Y_X_mZ, Tr_0_12_0),
6342 SymOp(Rot_mY_mX_mZ, Tr_0_12_0),
6343 SymOp(Rot_Y_mX_Z, Tr_0_12_0),
6344 SymOp(Rot_mY_X_Z, Tr_0_12_0),
6345 SymOp(Rot_X_Z_mY, Tr_0_12_0),
6346 SymOp(Rot_mX_Z_Y, Tr_0_12_0),
6347 SymOp(Rot_mX_mZ_mY, Tr_0_12_0),
6348 SymOp(Rot_X_mZ_Y, Tr_0_12_0),
6349 SymOp(Rot_Z_Y_mX, Tr_0_12_0),
6350 SymOp(Rot_Z_mY_X, Tr_0_12_0),
6351 SymOp(Rot_mZ_Y_X, Tr_0_12_0),
6352 SymOp(Rot_mZ_mY_mX, Tr_0_12_0),
6353 SymOp(Rot_mX_mY_mZ, Tr_12_0_12),
6354 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
6355 SymOp(Rot_X_mY_Z, Tr_12_0_12),
6356 SymOp(Rot_mX_Y_Z, Tr_12_0_12),
6357 SymOp(Rot_mZ_mX_mY, Tr_12_0_12),
6358 SymOp(Rot_mZ_X_Y, Tr_12_0_12),
6359 SymOp(Rot_Z_X_mY, Tr_12_0_12),
6360 SymOp(Rot_Z_mX_Y, Tr_12_0_12),
6361 SymOp(Rot_mY_mZ_mX, Tr_12_0_12),
6362 SymOp(Rot_Y_mZ_X, Tr_12_0_12),
6363 SymOp(Rot_mY_Z_X, Tr_12_0_12),
6364 SymOp(Rot_Y_Z_mX, Tr_12_0_12),
6365 SymOp(Rot_mY_mX_Z, Tr_0_12_0),
6366 SymOp(Rot_Y_X_Z, Tr_0_12_0),
6367 SymOp(Rot_mY_X_mZ, Tr_0_12_0),
6368 SymOp(Rot_Y_mX_mZ, Tr_0_12_0),
6369 SymOp(Rot_mX_mZ_Y, Tr_0_12_0),
6370 SymOp(Rot_X_mZ_mY, Tr_0_12_0),
6371 SymOp(Rot_X_Z_Y, Tr_0_12_0),
6372 SymOp(Rot_mX_Z_mY, Tr_0_12_0),
6373 SymOp(Rot_mZ_mY_X, Tr_0_12_0),
6374 SymOp(Rot_mZ_Y_mX, Tr_0_12_0),
6375 SymOp(Rot_Z_mY_mX, Tr_0_12_0),
6376 SymOp(Rot_Z_Y_X, Tr_0_12_0),
6377 SymOp(Rot_X_Y_Z, Tr_12_12_0),
6378 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
6379 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
6380 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
6381 SymOp(Rot_Z_X_Y, Tr_12_12_0),
6382 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
6383 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
6384 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
6385 SymOp(Rot_Y_Z_X, Tr_12_12_0),
6386 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
6387 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
6388 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
6389 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
6390 SymOp(Rot_mY_mX_mZ, Tr_0_0_12),
6391 SymOp(Rot_Y_mX_Z, Tr_0_0_12),
6392 SymOp(Rot_mY_X_Z, Tr_0_0_12),
6393 SymOp(Rot_X_Z_mY, Tr_0_0_12),
6394 SymOp(Rot_mX_Z_Y, Tr_0_0_12),
6395 SymOp(Rot_mX_mZ_mY, Tr_0_0_12),
6396 SymOp(Rot_X_mZ_Y, Tr_0_0_12),
6397 SymOp(Rot_Z_Y_mX, Tr_0_0_12),
6398 SymOp(Rot_Z_mY_X, Tr_0_0_12),
6399 SymOp(Rot_mZ_Y_X, Tr_0_0_12),
6400 SymOp(Rot_mZ_mY_mX, Tr_0_0_12),
6401 SymOp(Rot_mX_mY_mZ, Tr_12_12_0),
6402 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
6403 SymOp(Rot_X_mY_Z, Tr_12_12_0),
6404 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
6405 SymOp(Rot_mZ_mX_mY, Tr_12_12_0),
6406 SymOp(Rot_mZ_X_Y, Tr_12_12_0),
6407 SymOp(Rot_Z_X_mY, Tr_12_12_0),
6408 SymOp(Rot_Z_mX_Y, Tr_12_12_0),
6409 SymOp(Rot_mY_mZ_mX, Tr_12_12_0),
6410 SymOp(Rot_Y_mZ_X, Tr_12_12_0),
6411 SymOp(Rot_mY_Z_X, Tr_12_12_0),
6412 SymOp(Rot_Y_Z_mX, Tr_12_12_0),
6413 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
6414 SymOp(Rot_Y_X_Z, Tr_0_0_12),
6415 SymOp(Rot_mY_X_mZ, Tr_0_0_12),
6416 SymOp(Rot_Y_mX_mZ, Tr_0_0_12),
6417 SymOp(Rot_mX_mZ_Y, Tr_0_0_12),
6418 SymOp(Rot_X_mZ_mY, Tr_0_0_12),
6419 SymOp(Rot_X_Z_Y, Tr_0_0_12),
6420 SymOp(Rot_mX_Z_mY, Tr_0_0_12),
6421 SymOp(Rot_mZ_mY_X, Tr_0_0_12),
6422 SymOp(Rot_mZ_Y_mX, Tr_0_0_12),
6423 SymOp(Rot_Z_mY_mX, Tr_0_0_12),
6424 SymOp(Rot_Z_Y_X, Tr_0_0_12)])
6425
6426 sg227 = SpaceGroup(
6427 number = 227,
6428 num_sym_equiv = 192,
6429 num_primitive_sym_equiv = 48,
6430 short_name = "Fd-3m",
6431 point_group_name = "PGm3barm",
6432 crystal_system = "CUBIC",
6433 pdb_name = "F 41/d -3 2/m",
6434 symop_list = [
6435 SymOp(Rot_X_Y_Z, Tr_0_0_0),
6436 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
6437 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
6438 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
6439 SymOp(Rot_Z_X_Y, Tr_0_0_0),
6440 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
6441 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
6442 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
6443 SymOp(Rot_Y_Z_X, Tr_0_0_0),
6444 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
6445 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
6446 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
6447 SymOp(Rot_Y_X_mZ, Tr_34_14_34),
6448 SymOp(Rot_mY_mX_mZ, Tr_14_14_14),
6449 SymOp(Rot_Y_mX_Z, Tr_14_34_34),
6450 SymOp(Rot_mY_X_Z, Tr_34_34_14),
6451 SymOp(Rot_X_Z_mY, Tr_34_14_34),
6452 SymOp(Rot_mX_Z_Y, Tr_34_34_14),
6453 SymOp(Rot_mX_mZ_mY, Tr_14_14_14),
6454 SymOp(Rot_X_mZ_Y, Tr_14_34_34),
6455 SymOp(Rot_Z_Y_mX, Tr_34_14_34),
6456 SymOp(Rot_Z_mY_X, Tr_14_34_34),
6457 SymOp(Rot_mZ_Y_X, Tr_34_34_14),
6458 SymOp(Rot_mZ_mY_mX, Tr_14_14_14),
6459 SymOp(Rot_mX_mY_mZ, Tr_14_14_14),
6460 SymOp(Rot_X_Y_mZ, Tr_14_34_34),
6461 SymOp(Rot_X_mY_Z, Tr_34_34_14),
6462 SymOp(Rot_mX_Y_Z, Tr_34_14_34),
6463 SymOp(Rot_mZ_mX_mY, Tr_14_14_14),
6464 SymOp(Rot_mZ_X_Y, Tr_34_14_34),
6465 SymOp(Rot_Z_X_mY, Tr_14_34_34),
6466 SymOp(Rot_Z_mX_Y, Tr_34_34_14),
6467 SymOp(Rot_mY_mZ_mX, Tr_14_14_14),
6468 SymOp(Rot_Y_mZ_X, Tr_34_34_14),
6469 SymOp(Rot_mY_Z_X, Tr_34_14_34),
6470 SymOp(Rot_Y_Z_mX, Tr_14_34_34),
6471 SymOp(Rot_mY_mX_Z, Tr_12_0_12),
6472 SymOp(Rot_Y_X_Z, Tr_0_0_0),
6473 SymOp(Rot_mY_X_mZ, Tr_0_12_12),
6474 SymOp(Rot_Y_mX_mZ, Tr_12_12_0),
6475 SymOp(Rot_mX_mZ_Y, Tr_12_0_12),
6476 SymOp(Rot_X_mZ_mY, Tr_12_12_0),
6477 SymOp(Rot_X_Z_Y, Tr_0_0_0),
6478 SymOp(Rot_mX_Z_mY, Tr_0_12_12),
6479 SymOp(Rot_mZ_mY_X, Tr_12_0_12),
6480 SymOp(Rot_mZ_Y_mX, Tr_0_12_12),
6481 SymOp(Rot_Z_mY_mX, Tr_12_12_0),
6482 SymOp(Rot_Z_Y_X, Tr_0_0_0),
6483 SymOp(Rot_X_Y_Z, Tr_0_12_12),
6484 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
6485 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
6486 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
6487 SymOp(Rot_Z_X_Y, Tr_0_12_12),
6488 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
6489 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
6490 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
6491 SymOp(Rot_Y_Z_X, Tr_0_12_12),
6492 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
6493 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
6494 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
6495 SymOp(Rot_Y_X_mZ, Tr_34_34_14),
6496 SymOp(Rot_mY_mX_mZ, Tr_14_34_34),
6497 SymOp(Rot_Y_mX_Z, Tr_14_14_14),
6498 SymOp(Rot_mY_X_Z, Tr_34_14_34),
6499 SymOp(Rot_X_Z_mY, Tr_34_34_14),
6500 SymOp(Rot_mX_Z_Y, Tr_34_14_34),
6501 SymOp(Rot_mX_mZ_mY, Tr_14_34_34),
6502 SymOp(Rot_X_mZ_Y, Tr_14_14_14),
6503 SymOp(Rot_Z_Y_mX, Tr_34_34_14),
6504 SymOp(Rot_Z_mY_X, Tr_14_14_14),
6505 SymOp(Rot_mZ_Y_X, Tr_34_14_34),
6506 SymOp(Rot_mZ_mY_mX, Tr_14_34_34),
6507 SymOp(Rot_mX_mY_mZ, Tr_14_34_34),
6508 SymOp(Rot_X_Y_mZ, Tr_14_14_14),
6509 SymOp(Rot_X_mY_Z, Tr_34_14_34),
6510 SymOp(Rot_mX_Y_Z, Tr_34_34_14),
6511 SymOp(Rot_mZ_mX_mY, Tr_14_34_34),
6512 SymOp(Rot_mZ_X_Y, Tr_34_34_14),
6513 SymOp(Rot_Z_X_mY, Tr_14_14_14),
6514 SymOp(Rot_Z_mX_Y, Tr_34_14_34),
6515 SymOp(Rot_mY_mZ_mX, Tr_14_34_34),
6516 SymOp(Rot_Y_mZ_X, Tr_34_14_34),
6517 SymOp(Rot_mY_Z_X, Tr_34_34_14),
6518 SymOp(Rot_Y_Z_mX, Tr_14_14_14),
6519 SymOp(Rot_mY_mX_Z, Tr_12_12_0),
6520 SymOp(Rot_Y_X_Z, Tr_0_12_12),
6521 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
6522 SymOp(Rot_Y_mX_mZ, Tr_12_0_12),
6523 SymOp(Rot_mX_mZ_Y, Tr_12_12_0),
6524 SymOp(Rot_X_mZ_mY, Tr_12_0_12),
6525 SymOp(Rot_X_Z_Y, Tr_0_12_12),
6526 SymOp(Rot_mX_Z_mY, Tr_0_0_0),
6527 SymOp(Rot_mZ_mY_X, Tr_12_12_0),
6528 SymOp(Rot_mZ_Y_mX, Tr_0_0_0),
6529 SymOp(Rot_Z_mY_mX, Tr_12_0_12),
6530 SymOp(Rot_Z_Y_X, Tr_0_12_12),
6531 SymOp(Rot_X_Y_Z, Tr_12_0_12),
6532 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
6533 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
6534 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
6535 SymOp(Rot_Z_X_Y, Tr_12_0_12),
6536 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
6537 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
6538 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
6539 SymOp(Rot_Y_Z_X, Tr_12_0_12),
6540 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
6541 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
6542 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
6543 SymOp(Rot_Y_X_mZ, Tr_14_14_14),
6544 SymOp(Rot_mY_mX_mZ, Tr_34_14_34),
6545 SymOp(Rot_Y_mX_Z, Tr_34_34_14),
6546 SymOp(Rot_mY_X_Z, Tr_14_34_34),
6547 SymOp(Rot_X_Z_mY, Tr_14_14_14),
6548 SymOp(Rot_mX_Z_Y, Tr_14_34_34),
6549 SymOp(Rot_mX_mZ_mY, Tr_34_14_34),
6550 SymOp(Rot_X_mZ_Y, Tr_34_34_14),
6551 SymOp(Rot_Z_Y_mX, Tr_14_14_14),
6552 SymOp(Rot_Z_mY_X, Tr_34_34_14),
6553 SymOp(Rot_mZ_Y_X, Tr_14_34_34),
6554 SymOp(Rot_mZ_mY_mX, Tr_34_14_34),
6555 SymOp(Rot_mX_mY_mZ, Tr_34_14_34),
6556 SymOp(Rot_X_Y_mZ, Tr_34_34_14),
6557 SymOp(Rot_X_mY_Z, Tr_14_34_34),
6558 SymOp(Rot_mX_Y_Z, Tr_14_14_14),
6559 SymOp(Rot_mZ_mX_mY, Tr_34_14_34),
6560 SymOp(Rot_mZ_X_Y, Tr_14_14_14),
6561 SymOp(Rot_Z_X_mY, Tr_34_34_14),
6562 SymOp(Rot_Z_mX_Y, Tr_14_34_34),
6563 SymOp(Rot_mY_mZ_mX, Tr_34_14_34),
6564 SymOp(Rot_Y_mZ_X, Tr_14_34_34),
6565 SymOp(Rot_mY_Z_X, Tr_14_14_14),
6566 SymOp(Rot_Y_Z_mX, Tr_34_34_14),
6567 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
6568 SymOp(Rot_Y_X_Z, Tr_12_0_12),
6569 SymOp(Rot_mY_X_mZ, Tr_12_12_0),
6570 SymOp(Rot_Y_mX_mZ, Tr_0_12_12),
6571 SymOp(Rot_mX_mZ_Y, Tr_0_0_0),
6572 SymOp(Rot_X_mZ_mY, Tr_0_12_12),
6573 SymOp(Rot_X_Z_Y, Tr_12_0_12),
6574 SymOp(Rot_mX_Z_mY, Tr_12_12_0),
6575 SymOp(Rot_mZ_mY_X, Tr_0_0_0),
6576 SymOp(Rot_mZ_Y_mX, Tr_12_12_0),
6577 SymOp(Rot_Z_mY_mX, Tr_0_12_12),
6578 SymOp(Rot_Z_Y_X, Tr_12_0_12),
6579 SymOp(Rot_X_Y_Z, Tr_12_12_0),
6580 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
6581 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
6582 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
6583 SymOp(Rot_Z_X_Y, Tr_12_12_0),
6584 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
6585 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
6586 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
6587 SymOp(Rot_Y_Z_X, Tr_12_12_0),
6588 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
6589 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
6590 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
6591 SymOp(Rot_Y_X_mZ, Tr_14_34_34),
6592 SymOp(Rot_mY_mX_mZ, Tr_34_34_14),
6593 SymOp(Rot_Y_mX_Z, Tr_34_14_34),
6594 SymOp(Rot_mY_X_Z, Tr_14_14_14),
6595 SymOp(Rot_X_Z_mY, Tr_14_34_34),
6596 SymOp(Rot_mX_Z_Y, Tr_14_14_14),
6597 SymOp(Rot_mX_mZ_mY, Tr_34_34_14),
6598 SymOp(Rot_X_mZ_Y, Tr_34_14_34),
6599 SymOp(Rot_Z_Y_mX, Tr_14_34_34),
6600 SymOp(Rot_Z_mY_X, Tr_34_14_34),
6601 SymOp(Rot_mZ_Y_X, Tr_14_14_14),
6602 SymOp(Rot_mZ_mY_mX, Tr_34_34_14),
6603 SymOp(Rot_mX_mY_mZ, Tr_34_34_14),
6604 SymOp(Rot_X_Y_mZ, Tr_34_14_34),
6605 SymOp(Rot_X_mY_Z, Tr_14_14_14),
6606 SymOp(Rot_mX_Y_Z, Tr_14_34_34),
6607 SymOp(Rot_mZ_mX_mY, Tr_34_34_14),
6608 SymOp(Rot_mZ_X_Y, Tr_14_34_34),
6609 SymOp(Rot_Z_X_mY, Tr_34_14_34),
6610 SymOp(Rot_Z_mX_Y, Tr_14_14_14),
6611 SymOp(Rot_mY_mZ_mX, Tr_34_34_14),
6612 SymOp(Rot_Y_mZ_X, Tr_14_14_14),
6613 SymOp(Rot_mY_Z_X, Tr_14_34_34),
6614 SymOp(Rot_Y_Z_mX, Tr_34_14_34),
6615 SymOp(Rot_mY_mX_Z, Tr_0_12_12),
6616 SymOp(Rot_Y_X_Z, Tr_12_12_0),
6617 SymOp(Rot_mY_X_mZ, Tr_12_0_12),
6618 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
6619 SymOp(Rot_mX_mZ_Y, Tr_0_12_12),
6620 SymOp(Rot_X_mZ_mY, Tr_0_0_0),
6621 SymOp(Rot_X_Z_Y, Tr_12_12_0),
6622 SymOp(Rot_mX_Z_mY, Tr_12_0_12),
6623 SymOp(Rot_mZ_mY_X, Tr_0_12_12),
6624 SymOp(Rot_mZ_Y_mX, Tr_12_0_12),
6625 SymOp(Rot_Z_mY_mX, Tr_0_0_0),
6626 SymOp(Rot_Z_Y_X, Tr_12_12_0)])
6627
6628 sg228 = SpaceGroup(
6629 number = 228,
6630 num_sym_equiv = 192,
6631 num_primitive_sym_equiv = 48,
6632 short_name = "Fd-3c",
6633 point_group_name = "PGm3barm",
6634 crystal_system = "CUBIC",
6635 pdb_name = "F 41/d -3 2/c",
6636 symop_list = [
6637 SymOp(Rot_X_Y_Z, Tr_0_0_0),
6638 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
6639 SymOp(Rot_mX_Y_mZ, Tr_12_12_0),
6640 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
6641 SymOp(Rot_Z_X_Y, Tr_0_0_0),
6642 SymOp(Rot_Z_mX_mY, Tr_12_0_12),
6643 SymOp(Rot_mZ_mX_Y, Tr_0_12_12),
6644 SymOp(Rot_mZ_X_mY, Tr_12_12_0),
6645 SymOp(Rot_Y_Z_X, Tr_0_0_0),
6646 SymOp(Rot_mY_Z_mX, Tr_12_12_0),
6647 SymOp(Rot_Y_mZ_mX, Tr_12_0_12),
6648 SymOp(Rot_mY_mZ_X, Tr_0_12_12),
6649 SymOp(Rot_Y_X_mZ, Tr_34_14_34),
6650 SymOp(Rot_mY_mX_mZ, Tr_14_14_14),
6651 SymOp(Rot_Y_mX_Z, Tr_14_34_34),
6652 SymOp(Rot_mY_X_Z, Tr_34_34_14),
6653 SymOp(Rot_X_Z_mY, Tr_34_14_34),
6654 SymOp(Rot_mX_Z_Y, Tr_34_34_14),
6655 SymOp(Rot_mX_mZ_mY, Tr_14_14_14),
6656 SymOp(Rot_X_mZ_Y, Tr_14_34_34),
6657 SymOp(Rot_Z_Y_mX, Tr_34_14_34),
6658 SymOp(Rot_Z_mY_X, Tr_14_34_34),
6659 SymOp(Rot_mZ_Y_X, Tr_34_34_14),
6660 SymOp(Rot_mZ_mY_mX, Tr_14_14_14),
6661 SymOp(Rot_mX_mY_mZ, Tr_34_34_34),
6662 SymOp(Rot_X_Y_mZ, Tr_34_14_14),
6663 SymOp(Rot_X_mY_Z, Tr_14_14_34),
6664 SymOp(Rot_mX_Y_Z, Tr_14_34_14),
6665 SymOp(Rot_mZ_mX_mY, Tr_34_34_34),
6666 SymOp(Rot_mZ_X_Y, Tr_14_34_14),
6667 SymOp(Rot_Z_X_mY, Tr_34_14_14),
6668 SymOp(Rot_Z_mX_Y, Tr_14_14_34),
6669 SymOp(Rot_mY_mZ_mX, Tr_34_34_34),
6670 SymOp(Rot_Y_mZ_X, Tr_14_14_34),
6671 SymOp(Rot_mY_Z_X, Tr_14_34_14),
6672 SymOp(Rot_Y_Z_mX, Tr_34_14_14),
6673 SymOp(Rot_mY_mX_Z, Tr_0_12_0),
6674 SymOp(Rot_Y_X_Z, Tr_12_12_12),
6675 SymOp(Rot_mY_X_mZ, Tr_12_0_0),
6676 SymOp(Rot_Y_mX_mZ, Tr_0_0_12),
6677 SymOp(Rot_mX_mZ_Y, Tr_0_12_0),
6678 SymOp(Rot_X_mZ_mY, Tr_0_0_12),
6679 SymOp(Rot_X_Z_Y, Tr_12_12_12),
6680 SymOp(Rot_mX_Z_mY, Tr_12_0_0),
6681 SymOp(Rot_mZ_mY_X, Tr_0_12_0),
6682 SymOp(Rot_mZ_Y_mX, Tr_12_0_0),
6683 SymOp(Rot_Z_mY_mX, Tr_0_0_12),
6684 SymOp(Rot_Z_Y_X, Tr_12_12_12),
6685 SymOp(Rot_X_Y_Z, Tr_0_12_12),
6686 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
6687 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
6688 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
6689 SymOp(Rot_Z_X_Y, Tr_0_12_12),
6690 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
6691 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
6692 SymOp(Rot_mZ_X_mY, Tr_12_0_12),
6693 SymOp(Rot_Y_Z_X, Tr_0_12_12),
6694 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
6695 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
6696 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
6697 SymOp(Rot_Y_X_mZ, Tr_34_34_14),
6698 SymOp(Rot_mY_mX_mZ, Tr_14_34_34),
6699 SymOp(Rot_Y_mX_Z, Tr_14_14_14),
6700 SymOp(Rot_mY_X_Z, Tr_34_14_34),
6701 SymOp(Rot_X_Z_mY, Tr_34_34_14),
6702 SymOp(Rot_mX_Z_Y, Tr_34_14_34),
6703 SymOp(Rot_mX_mZ_mY, Tr_14_34_34),
6704 SymOp(Rot_X_mZ_Y, Tr_14_14_14),
6705 SymOp(Rot_Z_Y_mX, Tr_34_34_14),
6706 SymOp(Rot_Z_mY_X, Tr_14_14_14),
6707 SymOp(Rot_mZ_Y_X, Tr_34_14_34),
6708 SymOp(Rot_mZ_mY_mX, Tr_14_34_34),
6709 SymOp(Rot_mX_mY_mZ, Tr_34_14_14),
6710 SymOp(Rot_X_Y_mZ, Tr_34_34_34),
6711 SymOp(Rot_X_mY_Z, Tr_14_34_14),
6712 SymOp(Rot_mX_Y_Z, Tr_14_14_34),
6713 SymOp(Rot_mZ_mX_mY, Tr_34_14_14),
6714 SymOp(Rot_mZ_X_Y, Tr_14_14_34),
6715 SymOp(Rot_Z_X_mY, Tr_34_34_34),
6716 SymOp(Rot_Z_mX_Y, Tr_14_34_14),
6717 SymOp(Rot_mY_mZ_mX, Tr_34_14_14),
6718 SymOp(Rot_Y_mZ_X, Tr_14_34_14),
6719 SymOp(Rot_mY_Z_X, Tr_14_14_34),
6720 SymOp(Rot_Y_Z_mX, Tr_34_34_34),
6721 SymOp(Rot_mY_mX_Z, Tr_0_0_12),
6722 SymOp(Rot_Y_X_Z, Tr_12_0_0),
6723 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
6724 SymOp(Rot_Y_mX_mZ, Tr_0_12_0),
6725 SymOp(Rot_mX_mZ_Y, Tr_0_0_12),
6726 SymOp(Rot_X_mZ_mY, Tr_0_12_0),
6727 SymOp(Rot_X_Z_Y, Tr_12_0_0),
6728 SymOp(Rot_mX_Z_mY, Tr_12_12_12),
6729 SymOp(Rot_mZ_mY_X, Tr_0_0_12),
6730 SymOp(Rot_mZ_Y_mX, Tr_12_12_12),
6731 SymOp(Rot_Z_mY_mX, Tr_0_12_0),
6732 SymOp(Rot_Z_Y_X, Tr_12_0_0),
6733 SymOp(Rot_X_Y_Z, Tr_12_0_12),
6734 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
6735 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
6736 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
6737 SymOp(Rot_Z_X_Y, Tr_12_0_12),
6738 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
6739 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
6740 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
6741 SymOp(Rot_Y_Z_X, Tr_12_0_12),
6742 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
6743 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
6744 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
6745 SymOp(Rot_Y_X_mZ, Tr_14_14_14),
6746 SymOp(Rot_mY_mX_mZ, Tr_34_14_34),
6747 SymOp(Rot_Y_mX_Z, Tr_34_34_14),
6748 SymOp(Rot_mY_X_Z, Tr_14_34_34),
6749 SymOp(Rot_X_Z_mY, Tr_14_14_14),
6750 SymOp(Rot_mX_Z_Y, Tr_14_34_34),
6751 SymOp(Rot_mX_mZ_mY, Tr_34_14_34),
6752 SymOp(Rot_X_mZ_Y, Tr_34_34_14),
6753 SymOp(Rot_Z_Y_mX, Tr_14_14_14),
6754 SymOp(Rot_Z_mY_X, Tr_34_34_14),
6755 SymOp(Rot_mZ_Y_X, Tr_14_34_34),
6756 SymOp(Rot_mZ_mY_mX, Tr_34_14_34),
6757 SymOp(Rot_mX_mY_mZ, Tr_14_34_14),
6758 SymOp(Rot_X_Y_mZ, Tr_14_14_34),
6759 SymOp(Rot_X_mY_Z, Tr_34_14_14),
6760 SymOp(Rot_mX_Y_Z, Tr_34_34_34),
6761 SymOp(Rot_mZ_mX_mY, Tr_14_34_14),
6762 SymOp(Rot_mZ_X_Y, Tr_34_34_34),
6763 SymOp(Rot_Z_X_mY, Tr_14_14_34),
6764 SymOp(Rot_Z_mX_Y, Tr_34_14_14),
6765 SymOp(Rot_mY_mZ_mX, Tr_14_34_14),
6766 SymOp(Rot_Y_mZ_X, Tr_34_14_14),
6767 SymOp(Rot_mY_Z_X, Tr_34_34_34),
6768 SymOp(Rot_Y_Z_mX, Tr_14_14_34),
6769 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
6770 SymOp(Rot_Y_X_Z, Tr_0_12_0),
6771 SymOp(Rot_mY_X_mZ, Tr_0_0_12),
6772 SymOp(Rot_Y_mX_mZ, Tr_12_0_0),
6773 SymOp(Rot_mX_mZ_Y, Tr_12_12_12),
6774 SymOp(Rot_X_mZ_mY, Tr_12_0_0),
6775 SymOp(Rot_X_Z_Y, Tr_0_12_0),
6776 SymOp(Rot_mX_Z_mY, Tr_0_0_12),
6777 SymOp(Rot_mZ_mY_X, Tr_12_12_12),
6778 SymOp(Rot_mZ_Y_mX, Tr_0_0_12),
6779 SymOp(Rot_Z_mY_mX, Tr_12_0_0),
6780 SymOp(Rot_Z_Y_X, Tr_0_12_0),
6781 SymOp(Rot_X_Y_Z, Tr_12_12_0),
6782 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
6783 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
6784 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
6785 SymOp(Rot_Z_X_Y, Tr_12_12_0),
6786 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
6787 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
6788 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
6789 SymOp(Rot_Y_Z_X, Tr_12_12_0),
6790 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
6791 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
6792 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
6793 SymOp(Rot_Y_X_mZ, Tr_14_34_34),
6794 SymOp(Rot_mY_mX_mZ, Tr_34_34_14),
6795 SymOp(Rot_Y_mX_Z, Tr_34_14_34),
6796 SymOp(Rot_mY_X_Z, Tr_14_14_14),
6797 SymOp(Rot_X_Z_mY, Tr_14_34_34),
6798 SymOp(Rot_mX_Z_Y, Tr_14_14_14),
6799 SymOp(Rot_mX_mZ_mY, Tr_34_34_14),
6800 SymOp(Rot_X_mZ_Y, Tr_34_14_34),
6801 SymOp(Rot_Z_Y_mX, Tr_14_34_34),
6802 SymOp(Rot_Z_mY_X, Tr_34_14_34),
6803 SymOp(Rot_mZ_Y_X, Tr_14_14_14),
6804 SymOp(Rot_mZ_mY_mX, Tr_34_34_14),
6805 SymOp(Rot_mX_mY_mZ, Tr_14_14_34),
6806 SymOp(Rot_X_Y_mZ, Tr_14_34_14),
6807 SymOp(Rot_X_mY_Z, Tr_34_34_34),
6808 SymOp(Rot_mX_Y_Z, Tr_34_14_14),
6809 SymOp(Rot_mZ_mX_mY, Tr_14_14_34),
6810 SymOp(Rot_mZ_X_Y, Tr_34_14_14),
6811 SymOp(Rot_Z_X_mY, Tr_14_34_14),
6812 SymOp(Rot_Z_mX_Y, Tr_34_34_34),
6813 SymOp(Rot_mY_mZ_mX, Tr_14_14_34),
6814 SymOp(Rot_Y_mZ_X, Tr_34_34_34),
6815 SymOp(Rot_mY_Z_X, Tr_34_14_14),
6816 SymOp(Rot_Y_Z_mX, Tr_14_34_14),
6817 SymOp(Rot_mY_mX_Z, Tr_12_0_0),
6818 SymOp(Rot_Y_X_Z, Tr_0_0_12),
6819 SymOp(Rot_mY_X_mZ, Tr_0_12_0),
6820 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
6821 SymOp(Rot_mX_mZ_Y, Tr_12_0_0),
6822 SymOp(Rot_X_mZ_mY, Tr_12_12_12),
6823 SymOp(Rot_X_Z_Y, Tr_0_0_12),
6824 SymOp(Rot_mX_Z_mY, Tr_0_12_0),
6825 SymOp(Rot_mZ_mY_X, Tr_12_0_0),
6826 SymOp(Rot_mZ_Y_mX, Tr_0_12_0),
6827 SymOp(Rot_Z_mY_mX, Tr_12_12_12),
6828 SymOp(Rot_Z_Y_X, Tr_0_0_12)])
6829
6830 sg229 = SpaceGroup(
6831 number = 229,
6832 num_sym_equiv = 96,
6833 num_primitive_sym_equiv = 48,
6834 short_name = "Im-3m",
6835 point_group_name = "PGm3barm",
6836 crystal_system = "CUBIC",
6837 pdb_name = "I 4/m -3 2/m",
6838 symop_list = [
6839 SymOp(Rot_X_Y_Z, Tr_0_0_0),
6840 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
6841 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
6842 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
6843 SymOp(Rot_Z_X_Y, Tr_0_0_0),
6844 SymOp(Rot_Z_mX_mY, Tr_0_0_0),
6845 SymOp(Rot_mZ_mX_Y, Tr_0_0_0),
6846 SymOp(Rot_mZ_X_mY, Tr_0_0_0),
6847 SymOp(Rot_Y_Z_X, Tr_0_0_0),
6848 SymOp(Rot_mY_Z_mX, Tr_0_0_0),
6849 SymOp(Rot_Y_mZ_mX, Tr_0_0_0),
6850 SymOp(Rot_mY_mZ_X, Tr_0_0_0),
6851 SymOp(Rot_Y_X_mZ, Tr_0_0_0),
6852 SymOp(Rot_mY_mX_mZ, Tr_0_0_0),
6853 SymOp(Rot_Y_mX_Z, Tr_0_0_0),
6854 SymOp(Rot_mY_X_Z, Tr_0_0_0),
6855 SymOp(Rot_X_Z_mY, Tr_0_0_0),
6856 SymOp(Rot_mX_Z_Y, Tr_0_0_0),
6857 SymOp(Rot_mX_mZ_mY, Tr_0_0_0),
6858 SymOp(Rot_X_mZ_Y, Tr_0_0_0),
6859 SymOp(Rot_Z_Y_mX, Tr_0_0_0),
6860 SymOp(Rot_Z_mY_X, Tr_0_0_0),
6861 SymOp(Rot_mZ_Y_X, Tr_0_0_0),
6862 SymOp(Rot_mZ_mY_mX, Tr_0_0_0),
6863 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
6864 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
6865 SymOp(Rot_X_mY_Z, Tr_0_0_0),
6866 SymOp(Rot_mX_Y_Z, Tr_0_0_0),
6867 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
6868 SymOp(Rot_mZ_X_Y, Tr_0_0_0),
6869 SymOp(Rot_Z_X_mY, Tr_0_0_0),
6870 SymOp(Rot_Z_mX_Y, Tr_0_0_0),
6871 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
6872 SymOp(Rot_Y_mZ_X, Tr_0_0_0),
6873 SymOp(Rot_mY_Z_X, Tr_0_0_0),
6874 SymOp(Rot_Y_Z_mX, Tr_0_0_0),
6875 SymOp(Rot_mY_mX_Z, Tr_0_0_0),
6876 SymOp(Rot_Y_X_Z, Tr_0_0_0),
6877 SymOp(Rot_mY_X_mZ, Tr_0_0_0),
6878 SymOp(Rot_Y_mX_mZ, Tr_0_0_0),
6879 SymOp(Rot_mX_mZ_Y, Tr_0_0_0),
6880 SymOp(Rot_X_mZ_mY, Tr_0_0_0),
6881 SymOp(Rot_X_Z_Y, Tr_0_0_0),
6882 SymOp(Rot_mX_Z_mY, Tr_0_0_0),
6883 SymOp(Rot_mZ_mY_X, Tr_0_0_0),
6884 SymOp(Rot_mZ_Y_mX, Tr_0_0_0),
6885 SymOp(Rot_Z_mY_mX, Tr_0_0_0),
6886 SymOp(Rot_Z_Y_X, Tr_0_0_0),
6887 SymOp(Rot_X_Y_Z, Tr_12_12_12),
6888 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
6889 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
6890 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
6891 SymOp(Rot_Z_X_Y, Tr_12_12_12),
6892 SymOp(Rot_Z_mX_mY, Tr_12_12_12),
6893 SymOp(Rot_mZ_mX_Y, Tr_12_12_12),
6894 SymOp(Rot_mZ_X_mY, Tr_12_12_12),
6895 SymOp(Rot_Y_Z_X, Tr_12_12_12),
6896 SymOp(Rot_mY_Z_mX, Tr_12_12_12),
6897 SymOp(Rot_Y_mZ_mX, Tr_12_12_12),
6898 SymOp(Rot_mY_mZ_X, Tr_12_12_12),
6899 SymOp(Rot_Y_X_mZ, Tr_12_12_12),
6900 SymOp(Rot_mY_mX_mZ, Tr_12_12_12),
6901 SymOp(Rot_Y_mX_Z, Tr_12_12_12),
6902 SymOp(Rot_mY_X_Z, Tr_12_12_12),
6903 SymOp(Rot_X_Z_mY, Tr_12_12_12),
6904 SymOp(Rot_mX_Z_Y, Tr_12_12_12),
6905 SymOp(Rot_mX_mZ_mY, Tr_12_12_12),
6906 SymOp(Rot_X_mZ_Y, Tr_12_12_12),
6907 SymOp(Rot_Z_Y_mX, Tr_12_12_12),
6908 SymOp(Rot_Z_mY_X, Tr_12_12_12),
6909 SymOp(Rot_mZ_Y_X, Tr_12_12_12),
6910 SymOp(Rot_mZ_mY_mX, Tr_12_12_12),
6911 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
6912 SymOp(Rot_X_Y_mZ, Tr_12_12_12),
6913 SymOp(Rot_X_mY_Z, Tr_12_12_12),
6914 SymOp(Rot_mX_Y_Z, Tr_12_12_12),
6915 SymOp(Rot_mZ_mX_mY, Tr_12_12_12),
6916 SymOp(Rot_mZ_X_Y, Tr_12_12_12),
6917 SymOp(Rot_Z_X_mY, Tr_12_12_12),
6918 SymOp(Rot_Z_mX_Y, Tr_12_12_12),
6919 SymOp(Rot_mY_mZ_mX, Tr_12_12_12),
6920 SymOp(Rot_Y_mZ_X, Tr_12_12_12),
6921 SymOp(Rot_mY_Z_X, Tr_12_12_12),
6922 SymOp(Rot_Y_Z_mX, Tr_12_12_12),
6923 SymOp(Rot_mY_mX_Z, Tr_12_12_12),
6924 SymOp(Rot_Y_X_Z, Tr_12_12_12),
6925 SymOp(Rot_mY_X_mZ, Tr_12_12_12),
6926 SymOp(Rot_Y_mX_mZ, Tr_12_12_12),
6927 SymOp(Rot_mX_mZ_Y, Tr_12_12_12),
6928 SymOp(Rot_X_mZ_mY, Tr_12_12_12),
6929 SymOp(Rot_X_Z_Y, Tr_12_12_12),
6930 SymOp(Rot_mX_Z_mY, Tr_12_12_12),
6931 SymOp(Rot_mZ_mY_X, Tr_12_12_12),
6932 SymOp(Rot_mZ_Y_mX, Tr_12_12_12),
6933 SymOp(Rot_Z_mY_mX, Tr_12_12_12),
6934 SymOp(Rot_Z_Y_X, Tr_12_12_12)])
6935
6936 sg230 = SpaceGroup(
6937 number = 230,
6938 num_sym_equiv = 96,
6939 num_primitive_sym_equiv = 48,
6940 short_name = "Ia-3d",
6941 point_group_name = "PGm3barm",
6942 crystal_system = "CUBIC",
6943 pdb_name = "I 41/a -3 2/d",
6944 symop_list = [
6945 SymOp(Rot_X_Y_Z, Tr_0_0_0),
6946 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
6947 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
6948 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
6949 SymOp(Rot_Z_X_Y, Tr_0_0_0),
6950 SymOp(Rot_Z_mX_mY, Tr_12_12_0),
6951 SymOp(Rot_mZ_mX_Y, Tr_12_0_12),
6952 SymOp(Rot_mZ_X_mY, Tr_0_12_12),
6953 SymOp(Rot_Y_Z_X, Tr_0_0_0),
6954 SymOp(Rot_mY_Z_mX, Tr_0_12_12),
6955 SymOp(Rot_Y_mZ_mX, Tr_12_12_0),
6956 SymOp(Rot_mY_mZ_X, Tr_12_0_12),
6957 SymOp(Rot_Y_X_mZ, Tr_34_14_14),
6958 SymOp(Rot_mY_mX_mZ, Tr_34_34_34),
6959 SymOp(Rot_Y_mX_Z, Tr_14_14_34),
6960 SymOp(Rot_mY_X_Z, Tr_14_34_14),
6961 SymOp(Rot_X_Z_mY, Tr_34_14_14),
6962 SymOp(Rot_mX_Z_Y, Tr_14_34_14),
6963 SymOp(Rot_mX_mZ_mY, Tr_34_34_34),
6964 SymOp(Rot_X_mZ_Y, Tr_14_14_34),
6965 SymOp(Rot_Z_Y_mX, Tr_34_14_14),
6966 SymOp(Rot_Z_mY_X, Tr_14_14_34),
6967 SymOp(Rot_mZ_Y_X, Tr_14_34_14),
6968 SymOp(Rot_mZ_mY_mX, Tr_34_34_34),
6969 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
6970 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
6971 SymOp(Rot_X_mY_Z, Tr_0_12_12),
6972 SymOp(Rot_mX_Y_Z, Tr_12_12_0),
6973 SymOp(Rot_mZ_mX_mY, Tr_0_0_0),
6974 SymOp(Rot_mZ_X_Y, Tr_12_12_0),
6975 SymOp(Rot_Z_X_mY, Tr_12_0_12),
6976 SymOp(Rot_Z_mX_Y, Tr_0_12_12),
6977 SymOp(Rot_mY_mZ_mX, Tr_0_0_0),
6978 SymOp(Rot_Y_mZ_X, Tr_0_12_12),
6979 SymOp(Rot_mY_Z_X, Tr_12_12_0),
6980 SymOp(Rot_Y_Z_mX, Tr_12_0_12),
6981 SymOp(Rot_mY_mX_Z, Tr_14_34_34),
6982 SymOp(Rot_Y_X_Z, Tr_14_14_14),
6983 SymOp(Rot_mY_X_mZ, Tr_34_34_14),
6984 SymOp(Rot_Y_mX_mZ, Tr_34_14_34),
6985 SymOp(Rot_mX_mZ_Y, Tr_14_34_34),
6986 SymOp(Rot_X_mZ_mY, Tr_34_14_34),
6987 SymOp(Rot_X_Z_Y, Tr_14_14_14),
6988 SymOp(Rot_mX_Z_mY, Tr_34_34_14),
6989 SymOp(Rot_mZ_mY_X, Tr_14_34_34),
6990 SymOp(Rot_mZ_Y_mX, Tr_34_34_14),
6991 SymOp(Rot_Z_mY_mX, Tr_34_14_34),
6992 SymOp(Rot_Z_Y_X, Tr_14_14_14),
6993 SymOp(Rot_X_Y_Z, Tr_12_12_12),
6994 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
6995 SymOp(Rot_mX_Y_mZ, Tr_12_0_0),
6996 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
6997 SymOp(Rot_Z_X_Y, Tr_12_12_12),
6998 SymOp(Rot_Z_mX_mY, Tr_0_0_12),
6999 SymOp(Rot_mZ_mX_Y, Tr_0_12_0),
7000 SymOp(Rot_mZ_X_mY, Tr_12_0_0),
7001 SymOp(Rot_Y_Z_X, Tr_12_12_12),
7002 SymOp(Rot_mY_Z_mX, Tr_12_0_0),
7003 SymOp(Rot_Y_mZ_mX, Tr_0_0_12),
7004 SymOp(Rot_mY_mZ_X, Tr_0_12_0),
7005 SymOp(Rot_Y_X_mZ, Tr_14_34_34),
7006 SymOp(Rot_mY_mX_mZ, Tr_14_14_14),
7007 SymOp(Rot_Y_mX_Z, Tr_34_34_14),
7008 SymOp(Rot_mY_X_Z, Tr_34_14_34),
7009 SymOp(Rot_X_Z_mY, Tr_14_34_34),
7010 SymOp(Rot_mX_Z_Y, Tr_34_14_34),
7011 SymOp(Rot_mX_mZ_mY, Tr_14_14_14),
7012 SymOp(Rot_X_mZ_Y, Tr_34_34_14),
7013 SymOp(Rot_Z_Y_mX, Tr_14_34_34),
7014 SymOp(Rot_Z_mY_X, Tr_34_34_14),
7015 SymOp(Rot_mZ_Y_X, Tr_34_14_34),
7016 SymOp(Rot_mZ_mY_mX, Tr_14_14_14),
7017 SymOp(Rot_mX_mY_mZ, Tr_12_12_12),
7018 SymOp(Rot_X_Y_mZ, Tr_0_12_0),
7019 SymOp(Rot_X_mY_Z, Tr_12_0_0),
7020 SymOp(Rot_mX_Y_Z, Tr_0_0_12),
7021 SymOp(Rot_mZ_mX_mY, Tr_12_12_12),
7022 SymOp(Rot_mZ_X_Y, Tr_0_0_12),
7023 SymOp(Rot_Z_X_mY, Tr_0_12_0),
7024 SymOp(Rot_Z_mX_Y, Tr_12_0_0),
7025 SymOp(Rot_mY_mZ_mX, Tr_12_12_12),
7026 SymOp(Rot_Y_mZ_X, Tr_12_0_0),
7027 SymOp(Rot_mY_Z_X, Tr_0_0_12),
7028 SymOp(Rot_Y_Z_mX, Tr_0_12_0),
7029 SymOp(Rot_mY_mX_Z, Tr_34_14_14),
7030 SymOp(Rot_Y_X_Z, Tr_34_34_34),
7031 SymOp(Rot_mY_X_mZ, Tr_14_14_34),
7032 SymOp(Rot_Y_mX_mZ, Tr_14_34_14),
7033 SymOp(Rot_mX_mZ_Y, Tr_34_14_14),
7034 SymOp(Rot_X_mZ_mY, Tr_14_34_14),
7035 SymOp(Rot_X_Z_Y, Tr_34_34_34),
7036 SymOp(Rot_mX_Z_mY, Tr_14_14_34),
7037 SymOp(Rot_mZ_mY_X, Tr_34_14_14),
7038 SymOp(Rot_mZ_Y_mX, Tr_14_14_34),
7039 SymOp(Rot_Z_mY_mX, Tr_14_34_14),
7040 SymOp(Rot_Z_Y_X, Tr_34_34_34)])
7041
7042 sg1003 = SpaceGroup(
7043 number = 1003,
7044 num_sym_equiv = 2,
7045 num_primitive_sym_equiv = 2,
7046 short_name = "P2",
7047 point_group_name = "PG2C",
7048 crystal_system = "MONOCLINIC",
7049 pdb_name = "P 1 1 2",
7050 symop_list = [
7051 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7052 SymOp(Rot_mX_mY_Z, Tr_0_0_0)])
7053
7054 sg1004 = SpaceGroup(
7055 number = 1004,
7056 num_sym_equiv = 2,
7057 num_primitive_sym_equiv = 2,
7058 short_name = "P1121",
7059 point_group_name = "PG2C",
7060 crystal_system = "MONOCLINIC",
7061 pdb_name = "P 1 1 21",
7062 symop_list = [
7063 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7064 SymOp(Rot_mX_mY_Z, Tr_0_0_12)])
7065
7066 sg3004 = SpaceGroup(
7067 number = 3004,
7068 num_sym_equiv = 4,
7069 num_primitive_sym_equiv = 2,
7070 short_name = "I21",
7071 point_group_name = "PG2",
7072 crystal_system = "MONOCLINIC",
7073 pdb_name = "I 1 21 1",
7074 symop_list = [
7075 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7076 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
7077 SymOp(Rot_X_Y_Z, Tr_12_12_12),
7078 SymOp(Rot_mX_Y_mZ, Tr_12_0_12)])
7079
7080 sg1005 = SpaceGroup(
7081 number = 1005,
7082 num_sym_equiv = 4,
7083 num_primitive_sym_equiv = 2,
7084 short_name = "B2",
7085 point_group_name = "PG2C",
7086 crystal_system = "MONOCLINIC",
7087 pdb_name = "B 1 1 2",
7088 symop_list = [
7089 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7090 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
7091 SymOp(Rot_X_Y_Z, Tr_12_0_12),
7092 SymOp(Rot_mX_mY_Z, Tr_12_0_12)])
7093
7094 sg2005 = SpaceGroup(
7095 number = 2005,
7096 num_sym_equiv = 4,
7097 num_primitive_sym_equiv = 2,
7098 short_name = "A2",
7099 point_group_name = "PG2C",
7100 crystal_system = "MONOCLINIC",
7101 pdb_name = "A 2 1 1",
7102 symop_list = [
7103 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7104 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
7105 SymOp(Rot_X_Y_Z, Tr_0_12_12),
7106 SymOp(Rot_X_mY_mZ, Tr_0_12_12)])
7107
7108 sg3005 = SpaceGroup(
7109 number = 3005,
7110 num_sym_equiv = 4,
7111 num_primitive_sym_equiv = 2,
7112 short_name = "C21",
7113 point_group_name = "PG2",
7114 crystal_system = "MONOCLINIC",
7115 pdb_name = "C 1 21 1",
7116 symop_list = [
7117 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7118 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
7119 SymOp(Rot_X_Y_Z, Tr_12_12_0),
7120 SymOp(Rot_mX_Y_mZ, Tr_12_0_0)])
7121
7122 sg1006 = SpaceGroup(
7123 number = 1006,
7124 num_sym_equiv = 2,
7125 num_primitive_sym_equiv = 2,
7126 short_name = "P11m",
7127 point_group_name = "PG2C",
7128 crystal_system = "MONOCLINIC",
7129 pdb_name = "P 1 1 m",
7130 symop_list = [
7131 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7132 SymOp(Rot_X_Y_mZ, Tr_0_0_0)])
7133
7134 sg1007 = SpaceGroup(
7135 number = 1007,
7136 num_sym_equiv = 2,
7137 num_primitive_sym_equiv = 2,
7138 short_name = "P11b",
7139 point_group_name = "PG2C",
7140 crystal_system = "MONOCLINIC",
7141 pdb_name = "P 1 1 b",
7142 symop_list = [
7143 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7144 SymOp(Rot_X_Y_mZ, Tr_0_12_0)])
7145
7146 sg1008 = SpaceGroup(
7147 number = 1008,
7148 num_sym_equiv = 4,
7149 num_primitive_sym_equiv = 2,
7150 short_name = "B11m",
7151 point_group_name = "PG2",
7152 crystal_system = "MONOCLINIC",
7153 pdb_name = "B 1 1 m",
7154 symop_list = [
7155 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7156 SymOp(Rot_X_mY_Z, Tr_0_0_0),
7157 SymOp(Rot_X_Y_Z, Tr_12_12_0),
7158 SymOp(Rot_X_mY_Z, Tr_12_12_0)])
7159
7160 sg1009 = SpaceGroup(
7161 number = 1009,
7162 num_sym_equiv = 4,
7163 num_primitive_sym_equiv = 2,
7164 short_name = "B11b",
7165 point_group_name = "PG2C",
7166 crystal_system = "MONOCLINIC",
7167 pdb_name = "B 1 1 b",
7168 symop_list = [
7169 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7170 SymOp(Rot_X_Y_mZ, Tr_0_12_0),
7171 SymOp(Rot_X_Y_Z, Tr_12_0_12),
7172 SymOp(Rot_X_Y_mZ, Tr_12_12_12)])
7173
7174 sg1010 = SpaceGroup(
7175 number = 1010,
7176 num_sym_equiv = 4,
7177 num_primitive_sym_equiv = 4,
7178 short_name = "P112/m",
7179 point_group_name = "PG2C",
7180 crystal_system = "MONOCLINIC",
7181 pdb_name = "P 1 1 2/m",
7182 symop_list = [
7183 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7184 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
7185 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
7186 SymOp(Rot_mX_mY_mZ, Tr_0_0_0)])
7187
7188 sg1011 = SpaceGroup(
7189 number = 1011,
7190 num_sym_equiv = 4,
7191 num_primitive_sym_equiv = 4,
7192 short_name = "P1121/m",
7193 point_group_name = "PG2C",
7194 crystal_system = "MONOCLINIC",
7195 pdb_name = "P 1 1 21/m",
7196 symop_list = [
7197 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7198 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
7199 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
7200 SymOp(Rot_X_Y_mZ, Tr_0_0_12)])
7201
7202 sg1012 = SpaceGroup(
7203 number = 1012,
7204 num_sym_equiv = 8,
7205 num_primitive_sym_equiv = 4,
7206 short_name = "B112/m",
7207 point_group_name = "PG2C",
7208 crystal_system = "MONOCLINIC",
7209 pdb_name = "B 1 1 2/m",
7210 symop_list = [
7211 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7212 SymOp(Rot_X_Y_mZ, Tr_0_0_0),
7213 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
7214 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
7215 SymOp(Rot_X_Y_Z, Tr_12_0_12),
7216 SymOp(Rot_X_Y_mZ, Tr_12_0_12),
7217 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
7218 SymOp(Rot_mX_mY_mZ, Tr_12_0_12)])
7219
7220 sg1013 = SpaceGroup(
7221 number = 1013,
7222 num_sym_equiv = 4,
7223 num_primitive_sym_equiv = 4,
7224 short_name = "P112/b",
7225 point_group_name = "PG2C",
7226 crystal_system = "MONOCLINIC",
7227 pdb_name = "P 1 1 2/b",
7228 symop_list = [
7229 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7230 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
7231 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
7232 SymOp(Rot_X_Y_mZ, Tr_0_12_0)])
7233
7234 sg1014 = SpaceGroup(
7235 number = 1014,
7236 num_sym_equiv = 4,
7237 num_primitive_sym_equiv = 4,
7238 short_name = "P1121/b",
7239 point_group_name = "PG2C",
7240 crystal_system = "MONOCLINIC",
7241 pdb_name = "P 1 1 21/b",
7242 symop_list = [
7243 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7244 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
7245 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
7246 SymOp(Rot_X_Y_mZ, Tr_0_12_12)])
7247
7248 sg1015 = SpaceGroup(
7249 number = 1015,
7250 num_sym_equiv = 8,
7251 num_primitive_sym_equiv = 4,
7252 short_name = "B112/b",
7253 point_group_name = "PG2C",
7254 crystal_system = "MONOCLINIC",
7255 pdb_name = "B 1 1 2/b",
7256 symop_list = [
7257 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7258 SymOp(Rot_mX_mY_Z, Tr_0_12_0),
7259 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
7260 SymOp(Rot_X_Y_mZ, Tr_0_12_0),
7261 SymOp(Rot_X_Y_Z, Tr_12_0_12),
7262 SymOp(Rot_mX_mY_Z, Tr_12_12_12),
7263 SymOp(Rot_mX_mY_mZ, Tr_12_0_12),
7264 SymOp(Rot_X_Y_mZ, Tr_12_12_12)])
7265
7266 sg1017 = SpaceGroup(
7267 number = 1017,
7268 num_sym_equiv = 4,
7269 num_primitive_sym_equiv = 4,
7270 short_name = "P2122",
7271 point_group_name = "PG222",
7272 crystal_system = "ORTHORHOMBIC",
7273 pdb_name = "P 21 2 2",
7274 symop_list = [
7275 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7276 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
7277 SymOp(Rot_X_mY_mZ, Tr_12_0_0),
7278 SymOp(Rot_mX_mY_Z, Tr_12_0_0)])
7279
7280 sg2017 = SpaceGroup(
7281 number = 2017,
7282 num_sym_equiv = 4,
7283 num_primitive_sym_equiv = 4,
7284 short_name = "P2212",
7285 point_group_name = "PG222",
7286 crystal_system = "ORTHORHOMBIC",
7287 pdb_name = "P 2 21 2",
7288 symop_list = [
7289 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7290 SymOp(Rot_X_mY_mZ, Tr_0_12_0),
7291 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
7292 SymOp(Rot_mX_mY_Z, Tr_0_0_0)])
7293
7294 sg1018 = SpaceGroup(
7295 number = 1018,
7296 num_sym_equiv = 4,
7297 num_primitive_sym_equiv = 4,
7298 short_name = "P21212a",
7299 point_group_name = "PG222",
7300 crystal_system = "ORTHORHOMBIC",
7301 pdb_name = "P 21 21 2 (a)",
7302 symop_list = [
7303 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7304 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
7305 SymOp(Rot_X_mY_mZ, Tr_12_0_0),
7306 SymOp(Rot_mX_Y_mZ, Tr_0_12_0)])
7307
7308 sg2018 = SpaceGroup(
7309 number = 2018,
7310 num_sym_equiv = 4,
7311 num_primitive_sym_equiv = 4,
7312 short_name = "P21221",
7313 point_group_name = "PG222",
7314 crystal_system = "ORTHORHOMBIC",
7315 pdb_name = "P 21 2 21",
7316 symop_list = [
7317 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7318 SymOp(Rot_mX_Y_mZ, Tr_0_0_0),
7319 SymOp(Rot_X_mY_mZ, Tr_12_0_12),
7320 SymOp(Rot_mX_mY_Z, Tr_12_0_12)])
7321
7322 sg3018 = SpaceGroup(
7323 number = 3018,
7324 num_sym_equiv = 4,
7325 num_primitive_sym_equiv = 4,
7326 short_name = "P22121",
7327 point_group_name = "PG222",
7328 crystal_system = "ORTHORHOMBIC",
7329 pdb_name = "P 2 21 21",
7330 symop_list = [
7331 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7332 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
7333 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
7334 SymOp(Rot_mX_mY_Z, Tr_0_12_12)])
7335
7336 sg1020 = SpaceGroup(
7337 number = 1020,
7338 num_sym_equiv = 8,
7339 num_primitive_sym_equiv = 4,
7340 short_name = "C2221a",
7341 point_group_name = "PG222",
7342 crystal_system = "ORTHORHOMBIC",
7343 pdb_name = "C 2 2 21a)",
7344 symop_list = [
7345 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7346 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
7347 SymOp(Rot_X_mY_mZ, Tr_12_12_0),
7348 SymOp(Rot_mX_Y_mZ, Tr_0_12_12),
7349 SymOp(Rot_X_Y_Z, Tr_12_12_0),
7350 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
7351 SymOp(Rot_X_mY_mZ, Tr_0_0_0),
7352 SymOp(Rot_mX_Y_mZ, Tr_12_0_12)])
7353
7354 sg1021 = SpaceGroup(
7355 number = 1021,
7356 num_sym_equiv = 8,
7357 num_primitive_sym_equiv = 4,
7358 short_name = "C222a",
7359 point_group_name = "PG222",
7360 crystal_system = "ORTHORHOMBIC",
7361 pdb_name = "C 2 2 2a",
7362 symop_list = [
7363 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7364 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
7365 SymOp(Rot_X_mY_mZ, Tr_12_0_0),
7366 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
7367 SymOp(Rot_X_Y_Z, Tr_12_12_0),
7368 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
7369 SymOp(Rot_X_mY_mZ, Tr_0_12_0),
7370 SymOp(Rot_mX_Y_mZ, Tr_12_0_0)])
7371
7372 sg1022 = SpaceGroup(
7373 number = 1022,
7374 num_sym_equiv = 16,
7375 num_primitive_sym_equiv = 4,
7376 short_name = "F222a",
7377 point_group_name = "PG222",
7378 crystal_system = "ORTHORHOMBIC",
7379 pdb_name = "F 2 2 2a",
7380 symop_list = [
7381 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7382 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
7383 SymOp(Rot_X_mY_mZ, Tr_12_0_0),
7384 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
7385 SymOp(Rot_X_Y_Z, Tr_0_12_12),
7386 SymOp(Rot_mX_mY_Z, Tr_12_0_12),
7387 SymOp(Rot_X_mY_mZ, Tr_12_12_12),
7388 SymOp(Rot_mX_Y_mZ, Tr_0_0_12),
7389 SymOp(Rot_X_Y_Z, Tr_12_0_12),
7390 SymOp(Rot_mX_mY_Z, Tr_0_12_12),
7391 SymOp(Rot_X_mY_mZ, Tr_0_0_12),
7392 SymOp(Rot_mX_Y_mZ, Tr_12_12_12),
7393 SymOp(Rot_X_Y_Z, Tr_12_12_0),
7394 SymOp(Rot_mX_mY_Z, Tr_0_0_0),
7395 SymOp(Rot_X_mY_mZ, Tr_0_12_0),
7396 SymOp(Rot_mX_Y_mZ, Tr_12_0_0)])
7397
7398 sg1023 = SpaceGroup(
7399 number = 1023,
7400 num_sym_equiv = 8,
7401 num_primitive_sym_equiv = 4,
7402 short_name = "I222a",
7403 point_group_name = "PG222",
7404 crystal_system = "ORTHORHOMBIC",
7405 pdb_name = "I 2 2 2a",
7406 symop_list = [
7407 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7408 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
7409 SymOp(Rot_X_mY_mZ, Tr_12_0_0),
7410 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
7411 SymOp(Rot_X_Y_Z, Tr_12_12_12),
7412 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
7413 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
7414 SymOp(Rot_X_mY_mZ, Tr_0_12_12)])
7415
7416 sg1059 = SpaceGroup(
7417 number = 1059,
7418 num_sym_equiv = 8,
7419 num_primitive_sym_equiv = 8,
7420 short_name = "Pmmn2",
7421 point_group_name = "PGmmm",
7422 crystal_system = "ORTHORHOMBIC",
7423 pdb_name = "P 21/m 21/m 2/n",
7424 symop_list = [
7425 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7426 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
7427 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
7428 SymOp(Rot_X_mY_mZ, Tr_12_0_0),
7429 SymOp(Rot_mX_mY_mZ, Tr_0_0_0),
7430 SymOp(Rot_X_Y_mZ, Tr_12_12_0),
7431 SymOp(Rot_X_mY_Z, Tr_0_12_0),
7432 SymOp(Rot_mX_Y_Z, Tr_12_0_0)])
7433
7434 sg1094 = SpaceGroup(
7435 number = 1094,
7436 num_sym_equiv = 8,
7437 num_primitive_sym_equiv = 8,
7438 short_name = "P42212a",
7439 point_group_name = "PG422",
7440 crystal_system = "TETRAGONAL",
7441 pdb_name = "P 42 21 2a",
7442 symop_list = [
7443 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7444 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
7445 SymOp(Rot_mY_X_Z, Tr_0_12_12),
7446 SymOp(Rot_Y_mX_Z, Tr_12_0_12),
7447 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
7448 SymOp(Rot_X_mY_mZ, Tr_12_0_0),
7449 SymOp(Rot_Y_X_mZ, Tr_0_0_12),
7450 SymOp(Rot_mY_mX_mZ, Tr_12_12_12)])
7451
7452 sg1197 = SpaceGroup(
7453 number = 1197,
7454 num_sym_equiv = 24,
7455 num_primitive_sym_equiv = 12,
7456 short_name = "I23a",
7457 point_group_name = "PG23",
7458 crystal_system = "CUBIC",
7459 pdb_name = "I 2 3a",
7460 symop_list = [
7461 SymOp(Rot_X_Y_Z, Tr_0_0_0),
7462 SymOp(Rot_mX_mY_Z, Tr_12_12_0),
7463 SymOp(Rot_X_mY_mZ, Tr_12_0_0),
7464 SymOp(Rot_mX_Y_mZ, Tr_0_12_0),
7465 SymOp(Rot_Y_Z_X, Tr_0_0_0),
7466 SymOp(Rot_mY_mZ_X, Tr_12_12_0),
7467 SymOp(Rot_Y_mZ_mX, Tr_12_0_0),
7468 SymOp(Rot_mY_Z_mX, Tr_0_12_0),
7469 SymOp(Rot_Z_X_Y, Tr_0_0_0),
7470 SymOp(Rot_mZ_mX_Y, Tr_12_12_0),
7471 SymOp(Rot_Z_mX_mY, Tr_12_0_0),
7472 SymOp(Rot_mZ_X_mY, Tr_0_12_0),
7473 SymOp(Rot_X_Y_Z, Tr_12_12_12),
7474 SymOp(Rot_mX_mY_Z, Tr_0_0_12),
7475 SymOp(Rot_X_mY_mZ, Tr_0_12_12),
7476 SymOp(Rot_mX_Y_mZ, Tr_12_0_12),
7477 SymOp(Rot_Y_Z_X, Tr_12_12_12),
7478 SymOp(Rot_mY_mZ_X, Tr_0_0_12),
7479 SymOp(Rot_Y_mZ_mX, Tr_0_12_12),
7480 SymOp(Rot_mY_Z_mX, Tr_12_0_12),
7481 SymOp(Rot_Z_X_Y, Tr_12_12_12),
7482 SymOp(Rot_mZ_mX_Y, Tr_0_0_12),
7483 SymOp(Rot_Z_mX_mY, Tr_0_12_12),
7484 SymOp(Rot_mZ_X_mY, Tr_12_0_12)])
7485
7486
7487
7488 SpaceGroupList = [
7489 sg1,
7490 sg2,
7491 sg3,
7492 sg4,
7493 sg5,
7494 sg6,
7495 sg7,
7496 sg8,
7497 sg9,
7498 sg10,
7499 sg11,
7500 sg12,
7501 sg13,
7502 sg14,
7503 sg15,
7504 sg16,
7505 sg17,
7506 sg18,
7507 sg19,
7508 sg20,
7509 sg21,
7510 sg22,
7511 sg23,
7512 sg24,
7513 sg25,
7514 sg26,
7515 sg27,
7516 sg28,
7517 sg29,
7518 sg30,
7519 sg31,
7520 sg32,
7521 sg33,
7522 sg34,
7523 sg35,
7524 sg36,
7525 sg37,
7526 sg38,
7527 sg39,
7528 sg40,
7529 sg41,
7530 sg42,
7531 sg43,
7532 sg44,
7533 sg45,
7534 sg46,
7535 sg47,
7536 sg48,
7537 sg49,
7538 sg50,
7539 sg51,
7540 sg52,
7541 sg53,
7542 sg54,
7543 sg55,
7544 sg56,
7545 sg57,
7546 sg58,
7547 sg59,
7548 sg60,
7549 sg61,
7550 sg62,
7551 sg63,
7552 sg64,
7553 sg65,
7554 sg66,
7555 sg67,
7556 sg68,
7557 sg69,
7558 sg70,
7559 sg71,
7560 sg72,
7561 sg73,
7562 sg74,
7563 sg75,
7564 sg76,
7565 sg77,
7566 sg78,
7567 sg79,
7568 sg80,
7569 sg81,
7570 sg82,
7571 sg83,
7572 sg84,
7573 sg85,
7574 sg86,
7575 sg87,
7576 sg88,
7577 sg89,
7578 sg90,
7579 sg91,
7580 sg92,
7581 sg93,
7582 sg94,
7583 sg95,
7584 sg96,
7585 sg97,
7586 sg98,
7587 sg99,
7588 sg100,
7589 sg101,
7590 sg102,
7591 sg103,
7592 sg104,
7593 sg105,
7594 sg106,
7595 sg107,
7596 sg108,
7597 sg109,
7598 sg110,
7599 sg111,
7600 sg112,
7601 sg113,
7602 sg114,
7603 sg115,
7604 sg116,
7605 sg117,
7606 sg118,
7607 sg119,
7608 sg120,
7609 sg121,
7610 sg122,
7611 sg123,
7612 sg124,
7613 sg125,
7614 sg126,
7615 sg127,
7616 sg128,
7617 sg129,
7618 sg130,
7619 sg131,
7620 sg132,
7621 sg133,
7622 sg134,
7623 sg135,
7624 sg136,
7625 sg137,
7626 sg138,
7627 sg139,
7628 sg140,
7629 sg141,
7630 sg142,
7631 sg143,
7632 sg144,
7633 sg145,
7634 sg146,
7635 sg1146,
7636 sg147,
7637 sg148,
7638 sg1148,
7639 sg149,
7640 sg150,
7641 sg151,
7642 sg152,
7643 sg153,
7644 sg154,
7645 sg155,
7646 sg1155,
7647 sg156,
7648 sg157,
7649 sg158,
7650 sg159,
7651 sg160,
7652 sg1160,
7653 sg161,
7654 sg1161,
7655 sg162,
7656 sg163,
7657 sg164,
7658 sg165,
7659 sg166,
7660 sg1166,
7661 sg167,
7662 sg1167,
7663 sg168,
7664 sg169,
7665 sg170,
7666 sg171,
7667 sg172,
7668 sg173,
7669 sg174,
7670 sg175,
7671 sg176,
7672 sg177,
7673 sg178,
7674 sg179,
7675 sg180,
7676 sg181,
7677 sg182,
7678 sg183,
7679 sg184,
7680 sg185,
7681 sg186,
7682 sg187,
7683 sg188,
7684 sg189,
7685 sg190,
7686 sg191,
7687 sg192,
7688 sg193,
7689 sg194,
7690 sg195,
7691 sg196,
7692 sg197,
7693 sg198,
7694 sg199,
7695 sg200,
7696 sg201,
7697 sg202,
7698 sg203,
7699 sg204,
7700 sg205,
7701 sg206,
7702 sg207,
7703 sg208,
7704 sg209,
7705 sg210,
7706 sg211,
7707 sg212,
7708 sg213,
7709 sg214,
7710 sg215,
7711 sg216,
7712 sg217,
7713 sg218,
7714 sg219,
7715 sg220,
7716 sg221,
7717 sg222,
7718 sg223,
7719 sg224,
7720 sg225,
7721 sg226,
7722 sg227,
7723 sg228,
7724 sg229,
7725 sg230,
7726 sg1003,
7727 sg1004,
7728 sg3004,
7729 sg1005,
7730 sg2005,
7731 sg3005,
7732 sg1006,
7733 sg1007,
7734 sg1008,
7735 sg1009,
7736 sg1010,
7737 sg1011,
7738 sg1012,
7739 sg1013,
7740 sg1014,
7741 sg1015,
7742 sg1017,
7743 sg2017,
7744 sg1018,
7745 sg2018,
7746 sg3018,
7747 sg1020,
7748 sg1021,
7749 sg1022,
7750 sg1023,
7751 sg1059,
7752 sg1094,
7753 sg1197]
7754
7755
7757 """Returns the SpaceGroup instance for the given name. If the space group
7758 is not found, return the P1 space group as default.
7759 """
7760 for sg in SpaceGroupList:
7761 if sg.check_group_name(name):
7762 return sg
7763
7764 ConsoleOutput.warning("GetSpaceGroup('%s') not found" % (name))
7765
7766
7767 return sg1
7768