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data_PIZFAF
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F -4 3 m'
_symmetry_Int_Tables_number      216
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 y,z,x
7 1/2+z,x,1/2+y
8 1/2+y,1/2+z,x
9 1/2+z,1/2+x,y
10 y,1/2+z,1/2+x
11 z,1/2+x,1/2+y
12 1/2+y,z,1/2+x
13 -y,x,-z
14 1/2-y,x,1/2-z
15 -y,1/2+x,1/2-z
16 1/2-y,1/2+x,-z
17 -x,z,-y
18 -z,y,-x
19 -x,1/2+z,1/2-y
20 1/2-z,1/2+y,-x
21 1/2-x,1/2+z,-y
22 1/2-z,y,1/2-x
23 1/2-x,z,1/2-y
24 -z,1/2+y,1/2-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 z,-x,-y
30 y,-z,-x
31 1/2+z,-x,1/2-y
32 1/2+y,1/2-z,-x
33 1/2+z,1/2-x,-y
34 y,1/2-z,1/2-x
35 z,1/2-x,1/2-y
36 1/2+y,-z,1/2-x
37 -y,-x,z
38 1/2-y,-x,1/2+z
39 -y,1/2-x,1/2+z
40 1/2-y,1/2-x,z
41 -x,-z,y
42 -z,-y,x
43 -x,1/2-z,1/2+y
44 1/2-z,1/2-y,x
45 1/2-x,1/2-z,y
46 1/2-z,-y,1/2+x
47 1/2-x,-z,1/2+y
48 -z,1/2-y,1/2+x
49 -x,y,-z
50 -x,1/2+y,1/2-z
51 1/2-x,y,1/2-z
52 1/2-x,1/2+y,-z
53 -z,x,-y
54 -y,z,-x
55 1/2-z,x,1/2-y
56 1/2-y,1/2+z,-x
57 1/2-z,1/2+x,-y
58 -y,1/2+z,1/2-x
59 -z,1/2+x,1/2-y
60 1/2-y,z,1/2-x
61 y,x,z
62 1/2+y,x,1/2+z
63 y,1/2+x,1/2+z
64 1/2+y,1/2+x,z
65 x,z,y
66 z,y,x
67 x,1/2+z,1/2+y
68 1/2+z,1/2+y,x
69 1/2+x,1/2+z,y
70 1/2+z,y,1/2+x
71 1/2+x,z,1/2+y
72 z,1/2+y,1/2+x
73 -x,-y,z
74 -x,1/2-y,1/2+z
75 1/2-x,-y,1/2+z
76 1/2-x,1/2-y,z
77 -z,-x,y
78 -y,-z,x
79 1/2-z,-x,1/2+y
80 1/2-y,1/2-z,x
81 1/2-z,1/2-x,y
82 -y,1/2-z,1/2+x
83 -z,1/2-x,1/2+y
84 1/2-y,-z,1/2+x
85 y,-x,-z
86 1/2+y,-x,1/2-z
87 y,1/2-x,1/2-z
88 1/2+y,1/2-x,-z
89 x,-z,-y
90 z,-y,-x
91 x,1/2-z,1/2-y
92 1/2+z,1/2-y,-x
93 1/2+x,1/2-z,-y
94 1/2+z,-y,1/2-x
95 1/2+x,-z,1/2-y
96 z,1/2-y,1/2-x
_cell_length_a                   13.571(1)
_cell_length_b                   13.571(1)
_cell_length_c                   13.571(1)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2499.4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Br1 Br -0.1480(2) -0.1480 -0.1480
C1 C -0.0635(16) -0.0635 -0.0635
C2 C 0.0000 0.0000 -0.1304(9)
H1 H -0.0425 0.0425 -0.1722
C2D C -0.1304(9) 0.0000 0.0000
C2E C 0.0000 -0.1304(9) 0.0000
C1JA C 0.0635 0.0635(16) -0.0635
H1HB H 0.0425 -0.0425 -0.1722
C1X C -0.0635(16) 0.0635 0.0635
H1D H -0.1722 -0.0425 0.0425
H1BA H -0.1722 0.0425 -0.0425
C1L C 0.0635 -0.0635(16) 0.0635
H1E H 0.0425 -0.1722 -0.0425
H1AB H -0.0425 -0.1722 0.0425
Br1JA Br 0.1480 0.1480(2) -0.1480
C2Q C 0.1304(9) 0.0000 0.0000
C2CA C 0.0000 0.1304(9) 0.0000
Br1X Br -0.1480(2) 0.1480 0.1480
C2L C 0.0000 0.0000 0.1304(9)
Br1L Br 0.1480 -0.1480(2) 0.1480
H1Q H 0.1722 0.0425 0.0425
H1OA H 0.1722 -0.0425 -0.0425
H1CA H 0.0425 0.1722 0.0425
H1YB H -0.0425 0.1722 -0.0425
H1L H -0.0425 -0.0425 0.1722
H1VA H 0.0425 0.0425 0.1722
Br2 Br 0.5812(3) 0.5812 0.5812
C3 C 0.5000 0.5000 0.5000
Br2L Br 0.4188 0.5812(3) 0.4188
Br2X Br 0.5812(3) 0.4188 0.4188
Br2JA Br 0.4188 0.4188(3) 0.5812
N1 N 0.1867(20) 0.1867 0.1867
C4 C 0.2500 0.2500 0.1245(10)
H2 H 0.2925 0.2075 0.0819
C4D C 0.1245(10) 0.2500 0.2500
C4E C 0.2500 0.1245(10) 0.2500
N1MA N 0.3133 0.3133(20) 0.1867
H2HB H 0.2075 0.2925 0.0819
N1Y N 0.1867(20) 0.3133 0.3133
H2D H 0.0819 0.2925 0.2075
H2HA H 0.0819 0.2075 0.2925
N1M N 0.3133 0.1867(20) 0.3133
H2E H 0.2075 0.0819 0.2925
H2GB H 0.2925 0.0819 0.2075
C4U C 0.3755(10) 0.2500 0.2500
C4GA C 0.2500 0.3755(10) 0.2500
C4M C 0.2500 0.2500 0.3755(10)
H2U H 0.4181 0.2075 0.2075
H2QA H 0.4181 0.2925 0.2925
H2GA H 0.2075 0.4181 0.2075
H2AC H 0.2925 0.4181 0.2925
H2M H 0.2925 0.2925 0.4181
H2XA H 0.2075 0.2075 0.4181

#END
