data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         9.7740000000
_cell_length_b         9.7740000000
_cell_length_c         4.1970000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           400.943926
_space_group_crystal_system tetragonal
_space_group_IT_number 75
_space_group_name_H-M_alt 'P4'
_space_group_name_Hall 'P 4'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,z'
  '-x,-y,z'
  'y,-x,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi     Bi     0.87618000000000     0.35895000000000     0.52830000000000
Bi     Bi     0.66036000000000     0.17369000000000     0.02980000000000
Ni     Ni     0.08880000000000     0.18290000000000     0.52400000000000
Ni     Ni     0.93710000000000     0.19350000000000     0.04000000000000
I      I      0.50000000000000     0.50000000000000     0.56300000000000
S      S      0.00000000000000     0.00000000000000     0.79000000000000
