data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         3.7729000000
_cell_length_b         3.7742000000
_cell_length_c        21.7260000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           309.371270
_space_group_crystal_system orthorhombic
_space_group_IT_number 71
_space_group_name_H-M_alt 'Immm'
_space_group_name_Hall '-I 2 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
  '-x,-y,z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,z'
  '-x,y,-z'
  'x,-y,z'
  '-1/2+x,-1/2+y,-1/2+z'
  '-1/2-x,-1/2-y,-1/2-z'
  '-1/2-x,-1/2-y,-1/2+z'
  '-1/2+x,-1/2+y,-1/2-z'
  '-1/2+x,-1/2-y,-1/2-z'
  '-1/2-x,-1/2+y,-1/2+z'
  '-1/2-x,-1/2+y,-1/2-z'
  '-1/2+x,-1/2-y,-1/2+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi     Bi     0.00000000000000     0.00000000000000     0.69085000000000
Ca     Ca     0.00000000000000     0.00000000000000     0.50000000000000
C      C      0.50000000000000     0.50000000000000     0.41070000000000
O      O      0.50000000000000     0.00000000000000     0.25580000000000
O      O      0.50000000000000     0.20700000000000     0.43790000000000
O      O      0.50000000000000     0.50000000000000     0.34980000000000
