
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
#######################################################################
#
# If this CIF has been generated from an entry in the Cambridge 
# Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting 
# from the CCDC's data processing and validation procedures.
#
#######################################################################

data_global
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F m 3 m'
_symmetry_Int_Tables_number      225
_space_group_name_Hall           '-F 4 2 3'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,1/2+y,1/2+z
3 1/2+x,y,1/2+z
4 1/2+x,1/2+y,z
5 z,-x,y
6 z,1/2-x,1/2+y
7 1/2+z,-x,1/2+y
8 1/2+z,1/2-x,y
9 -y,z,-x
10 -y,1/2+z,1/2-x
11 1/2-y,z,1/2-x
12 1/2-y,1/2+z,-x
13 x,-y,z
14 x,1/2-y,1/2+z
15 1/2+x,-y,1/2+z
16 1/2+x,1/2-y,z
17 -z,x,-y
18 -z,1/2+x,1/2-y
19 1/2-z,x,1/2-y
20 1/2-z,1/2+x,-y
21 y,-z,x
22 y,1/2-z,1/2+x
23 1/2+y,-z,1/2+x
24 1/2+y,1/2-z,x
25 -x,y,-z
26 -x,1/2+y,1/2-z
27 1/2-x,y,1/2-z
28 1/2-x,1/2+y,-z
29 x,-z,-y
30 x,1/2-z,1/2-y
31 1/2+x,-z,1/2-y
32 1/2+x,1/2-z,-y
33 -z,y,x
34 -z,1/2+y,1/2+x
35 1/2-z,y,1/2+x
36 1/2-z,1/2+y,x
37 y,-x,-z
38 y,1/2-x,1/2-z
39 1/2+y,-x,1/2-z
40 1/2+y,1/2-x,-z
41 -x,z,y
42 -x,1/2+z,1/2+y
43 1/2-x,z,1/2+y
44 1/2-x,1/2+z,y
45 z,-y,-x
46 z,1/2-y,1/2-x
47 1/2+z,-y,1/2-x
48 1/2+z,1/2-y,-x
49 -y,x,z
50 -y,1/2+x,1/2+z
51 1/2-y,x,1/2+z
52 1/2-y,1/2+x,z
53 x,z,y
54 x,1/2+z,1/2+y
55 1/2+x,z,1/2+y
56 1/2+x,1/2+z,y
57 -z,-y,-x
58 -z,1/2-y,1/2-x
59 1/2-z,-y,1/2-x
60 1/2-z,1/2-y,-x
61 y,x,z
62 y,1/2+x,1/2+z
63 1/2+y,x,1/2+z
64 1/2+y,1/2+x,z
65 -x,-z,-y
66 -x,1/2-z,1/2-y
67 1/2-x,-z,1/2-y
68 1/2-x,1/2-z,-y
69 z,y,x
70 z,1/2+y,1/2+x
71 1/2+z,y,1/2+x
72 1/2+z,1/2+y,x
73 -y,-x,-z
74 -y,1/2-x,1/2-z
75 1/2-y,-x,1/2-z
76 1/2-y,1/2-x,-z
77 z,x,-y
78 z,1/2+x,1/2-y
79 1/2+z,x,1/2-y
80 1/2+z,1/2+x,-y
81 -y,-z,x
82 -y,1/2-z,1/2+x
83 1/2-y,-z,1/2+x
84 1/2-y,1/2-z,x
85 x,y,-z
86 x,1/2+y,1/2-z
87 1/2+x,y,1/2-z
88 1/2+x,1/2+y,-z
89 -z,-x,y
90 -z,1/2-x,1/2+y
91 1/2-z,-x,1/2+y
92 1/2-z,1/2-x,y
93 y,z,-x
94 y,1/2+z,1/2-x
95 1/2+y,z,1/2-x
96 1/2+y,1/2+z,-x
97 -x,-y,z
98 -x,1/2-y,1/2+z
99 1/2-x,-y,1/2+z
100 1/2-x,1/2-y,z
101 -z,x,y
102 -z,1/2+x,1/2+y
103 1/2-z,x,1/2+y
104 1/2-z,1/2+x,y
105 y,-z,-x
106 y,1/2-z,1/2-x
107 1/2+y,-z,1/2-x
108 1/2+y,1/2-z,-x
109 -x,y,z
110 -x,1/2+y,1/2+z
111 1/2-x,y,1/2+z
112 1/2-x,1/2+y,z
113 z,-x,-y
114 z,1/2-x,1/2-y
115 1/2+z,-x,1/2-y
116 1/2+z,1/2-x,-y
117 -y,z,x
118 -y,1/2+z,1/2+x
119 1/2-y,z,1/2+x
120 1/2-y,1/2+z,x
121 x,-y,-z
122 x,1/2-y,1/2-z
123 1/2+x,-y,1/2-z
124 1/2+x,1/2-y,-z
125 -x,z,-y
126 -x,1/2+z,1/2-y
127 1/2-x,z,1/2-y
128 1/2-x,1/2+z,-y
129 z,-y,x
130 z,1/2-y,1/2+x
131 1/2+z,-y,1/2+x
132 1/2+z,1/2-y,x
133 -y,x,-z
134 -y,1/2+x,1/2-z
135 1/2-y,x,1/2-z
136 1/2-y,1/2+x,-z
137 x,-z,y
138 x,1/2-z,1/2+y
139 1/2+x,-z,1/2+y
140 1/2+x,1/2-z,y
141 -z,y,-x
142 -z,1/2+y,1/2-x
143 1/2-z,y,1/2-x
144 1/2-z,1/2+y,-x
145 y,-x,z
146 y,1/2-x,1/2+z
147 1/2+y,-x,1/2+z
148 1/2+y,1/2-x,z
149 -x,-z,y
150 -x,1/2-z,1/2+y
151 1/2-x,-z,1/2+y
152 1/2-x,1/2-z,y
153 z,y,-x
154 z,1/2+y,1/2-x
155 1/2+z,y,1/2-x
156 1/2+z,1/2+y,-x
157 -y,-x,z
158 -y,1/2-x,1/2+z
159 1/2-y,-x,1/2+z
160 1/2-y,1/2-x,z
161 x,z,-y
162 x,1/2+z,1/2-y
163 1/2+x,z,1/2-y
164 1/2+x,1/2+z,-y
165 -z,-y,x
166 -z,1/2-y,1/2+x
167 1/2-z,-y,1/2+x
168 1/2-z,1/2-y,x
169 y,x,-z
170 y,1/2+x,1/2-z
171 1/2+y,x,1/2-z
172 1/2+y,1/2+x,-z
173 -z,-x,-y
174 -z,1/2-x,1/2-y
175 1/2-z,-x,1/2-y
176 1/2-z,1/2-x,-y
177 y,z,x
178 y,1/2+z,1/2+x
179 1/2+y,z,1/2+x
180 1/2+y,1/2+z,x
181 -x,-y,-z
182 -x,1/2-y,1/2-z
183 1/2-x,-y,1/2-z
184 1/2-x,1/2-y,-z
185 z,x,y
186 z,1/2+x,1/2+y
187 1/2+z,x,1/2+y
188 1/2+z,1/2+x,y
189 -y,-z,-x
190 -y,1/2-z,1/2-x
191 1/2-y,-z,1/2-x
192 1/2-y,1/2-z,-x
_cell_length_a                   3.61496
_cell_length_b                   3.61496
_cell_length_c                   3.61496
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     47.2401
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu Cu 0.00000 0.00000 0.00000
Cu Cu 0.00000 -0.50000 -0.50000
Cu Cu 0.00000 -1.00000 -1.00000
Cu Cu 0.00000 -1.00000 0.00000
Cu Cu 0.00000 0.00000 -1.00000
Cu Cu 0.00000 -0.50000 0.50000
Cu Cu 0.00000 0.50000 -0.50000
Cu Cu 0.00000 0.50000 0.50000
Cu Cu -0.50000 -1.00000 -0.50000
Cu Cu -0.50000 0.00000 -0.50000
Cu Cu -0.50000 0.00000 0.50000
Cu Cu 0.50000 -1.00000 -0.50000
Cu Cu 0.50000 0.00000 -0.50000
Cu Cu 0.50000 0.00000 0.50000
Cu Cu -0.50000 -0.50000 -1.00000
Cu Cu -0.50000 -0.50000 0.00000
Cu Cu -0.50000 0.50000 0.00000
Cu Cu 0.50000 -0.50000 -1.00000
Cu Cu 0.50000 -0.50000 0.00000
Cu Cu 0.50000 0.50000 0.00000

#END
