
#######################################################################
#
#                 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   'I m 3 m'
_symmetry_Int_Tables_number      229
_space_group_name_Hall           '-I 4 2 3'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,1/2+z
3 z,-x,y
4 1/2+z,1/2-x,1/2+y
5 -y,z,-x
6 1/2-y,1/2+z,1/2-x
7 x,-y,z
8 1/2+x,1/2-y,1/2+z
9 -z,x,-y
10 1/2-z,1/2+x,1/2-y
11 y,-z,x
12 1/2+y,1/2-z,1/2+x
13 -x,y,-z
14 1/2-x,1/2+y,1/2-z
15 x,-z,-y
16 1/2+x,1/2-z,1/2-y
17 -z,y,x
18 1/2-z,1/2+y,1/2+x
19 y,-x,-z
20 1/2+y,1/2-x,1/2-z
21 -x,z,y
22 1/2-x,1/2+z,1/2+y
23 z,-y,-x
24 1/2+z,1/2-y,1/2-x
25 -y,x,z
26 1/2-y,1/2+x,1/2+z
27 x,z,y
28 1/2+x,1/2+z,1/2+y
29 -z,-y,-x
30 1/2-z,1/2-y,1/2-x
31 y,x,z
32 1/2+y,1/2+x,1/2+z
33 -x,-z,-y
34 1/2-x,1/2-z,1/2-y
35 z,y,x
36 1/2+z,1/2+y,1/2+x
37 -y,-x,-z
38 1/2-y,1/2-x,1/2-z
39 z,x,-y
40 1/2+z,1/2+x,1/2-y
41 -y,-z,x
42 1/2-y,1/2-z,1/2+x
43 x,y,-z
44 1/2+x,1/2+y,1/2-z
45 -z,-x,y
46 1/2-z,1/2-x,1/2+y
47 y,z,-x
48 1/2+y,1/2+z,1/2-x
49 -x,-y,z
50 1/2-x,1/2-y,1/2+z
51 -z,x,y
52 1/2-z,1/2+x,1/2+y
53 y,-z,-x
54 1/2+y,1/2-z,1/2-x
55 -x,y,z
56 1/2-x,1/2+y,1/2+z
57 z,-x,-y
58 1/2+z,1/2-x,1/2-y
59 -y,z,x
60 1/2-y,1/2+z,1/2+x
61 x,-y,-z
62 1/2+x,1/2-y,1/2-z
63 -x,z,-y
64 1/2-x,1/2+z,1/2-y
65 z,-y,x
66 1/2+z,1/2-y,1/2+x
67 -y,x,-z
68 1/2-y,1/2+x,1/2-z
69 x,-z,y
70 1/2+x,1/2-z,1/2+y
71 -z,y,-x
72 1/2-z,1/2+y,1/2-x
73 y,-x,z
74 1/2+y,1/2-x,1/2+z
75 -x,-z,y
76 1/2-x,1/2-z,1/2+y
77 z,y,-x
78 1/2+z,1/2+y,1/2-x
79 -y,-x,z
80 1/2-y,1/2-x,1/2+z
81 x,z,-y
82 1/2+x,1/2+z,1/2-y
83 -z,-y,x
84 1/2-z,1/2-y,1/2+x
85 y,x,-z
86 1/2+y,1/2+x,1/2-z
87 -z,-x,-y
88 1/2-z,1/2-x,1/2-y
89 y,z,x
90 1/2+y,1/2+z,1/2+x
91 -x,-y,-z
92 1/2-x,1/2-y,1/2-z
93 z,x,y
94 1/2+z,1/2+x,1/2+y
95 -y,-z,-x
96 1/2-y,1/2-z,1/2-x
_cell_length_a                   2.866
_cell_length_b                   2.866
_cell_length_c                   2.866
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     23.5412
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe Fe 0.00000 0.00000 0.00000
Fe Fe -1.00000 0.00000 0.00000
Fe Fe -1.00000 -1.00000 0.00000
Fe Fe 0.00000 1.00000 0.00000
Fe Fe -1.00000 -1.00000 -1.00000
Fe Fe -1.00000 0.00000 1.00000
Fe Fe -2.00000 -1.00000 -1.00000
Fe Fe -2.00000 -1.00000 0.00000
Fe Fe -2.00000 0.00000 0.00000
Fe Fe -2.00000 0.00000 1.00000
Fe Fe -1.00000 -2.00000 -1.00000
Fe Fe -1.00000 -2.00000 0.00000
Fe Fe -1.00000 -1.00000 -2.00000
Fe Fe -1.00000 -1.00000 1.00000
Fe Fe -1.00000 0.00000 -1.00000
Fe Fe -1.00000 0.00000 2.00000
Fe Fe -1.00000 1.00000 0.00000
Fe Fe -1.00000 1.00000 1.00000
Fe Fe 0.00000 -1.00000 -1.00000
Fe Fe 0.00000 -1.00000 0.00000
Fe Fe 0.00000 0.00000 -1.00000
Fe Fe 0.00000 0.00000 1.00000
Fe Fe 0.00000 1.00000 -1.00000
Fe Fe 0.00000 1.00000 1.00000
Fe Fe 0.00000 2.00000 0.00000
Fe Fe 1.00000 0.00000 0.00000
Fe Fe 1.00000 1.00000 0.00000
Fe Fe -1.50000 -1.50000 -1.50000
Fe Fe -1.50000 -1.50000 -0.50000
Fe Fe -1.50000 -1.50000 0.50000
Fe Fe -1.50000 -0.50000 -1.50000
Fe Fe -1.50000 -0.50000 -0.50000
Fe Fe -1.50000 -0.50000 0.50000
Fe Fe -1.50000 -0.50000 1.50000
Fe Fe -1.50000 0.50000 -0.50000
Fe Fe -1.50000 0.50000 0.50000
Fe Fe -1.50000 0.50000 1.50000
Fe Fe -0.50000 -1.50000 -1.50000
Fe Fe -0.50000 -1.50000 -0.50000
Fe Fe -0.50000 -1.50000 0.50000
Fe Fe -0.50000 -0.50000 -1.50000
Fe Fe -0.50000 -0.50000 -0.50000
Fe Fe -0.50000 -0.50000 0.50000
Fe Fe -0.50000 -0.50000 1.50000
Fe Fe -0.50000 0.50000 -0.50000
Fe Fe -0.50000 0.50000 0.50000
Fe Fe -0.50000 0.50000 1.50000
Fe Fe -0.50000 1.50000 -0.50000
Fe Fe -0.50000 1.50000 0.50000
Fe Fe 0.50000 -0.50000 -0.50000
Fe Fe 0.50000 -0.50000 0.50000
Fe Fe 0.50000 0.50000 -0.50000
Fe Fe 0.50000 0.50000 0.50000
Fe Fe 0.50000 1.50000 -0.50000
Fe Fe 0.50000 1.50000 0.50000

#END
