
#######################################################################
#
#                 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_findsym-output
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'P m -3 m'
_symmetry_Int_Tables_number      221
_space_group_name_Hall           '-P 4 2 3'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
13 -y,-x,-z
14 -y,x,z
15 y,-x,z
16 y,x,-z
17 -x,-z,-y
18 -x,z,y
19 x,-z,y
20 x,z,-y
21 -z,-y,-x
22 -z,y,x
23 z,-y,x
24 z,y,-x
25 -x,-y,-z
26 -x,y,z
27 x,-y,z
28 x,y,-z
29 -y,-z,-x
30 -y,z,x
31 y,-z,x
32 y,z,-x
33 -z,-x,-y
34 -z,x,y
35 z,-x,y
36 z,x,-y
37 y,x,z
38 y,-x,-z
39 -y,x,-z
40 -y,-x,z
41 x,z,y
42 x,-z,-y
43 -x,z,-y
44 -x,-z,y
45 z,y,x
46 z,-y,-x
47 -z,y,-x
48 -z,-y,x
_cell_length_a                   3.34000
_cell_length_b                   3.34000
_cell_length_c                   3.34000
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_volume                     37.2597
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Po1 Po 0.00000 0.00000 0.00000
Po1 Po 0.00000 -1.00000 0.00000
Po1 Po -1.00000 0.00000 0.00000
Po1 Po -1.00000 -1.00000 0.00000
Po1 Po -2.00000 -1.00000 0.00000
Po1 Po -2.00000 0.00000 0.00000
Po1 Po -1.00000 -2.00000 0.00000
Po1 Po -1.00000 -1.00000 -1.00000
Po1 Po -1.00000 -1.00000 1.00000
Po1 Po -1.00000 0.00000 -1.00000
Po1 Po -1.00000 0.00000 1.00000
Po1 Po -1.00000 1.00000 0.00000
Po1 Po 0.00000 -2.00000 0.00000
Po1 Po 0.00000 -1.00000 -1.00000
Po1 Po 0.00000 -1.00000 1.00000
Po1 Po 0.00000 0.00000 -1.00000
Po1 Po 0.00000 0.00000 1.00000
Po1 Po 0.00000 1.00000 0.00000
Po1 Po 1.00000 -1.00000 0.00000
Po1 Po 1.00000 0.00000 0.00000

#END
