data_Bi2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.32
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2POs
_chemical_formula_sum   'Bi2 P1 Os1'
_cell_volume   87.42
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Bi  Bi0  1  0.63  0.66  0.16  1.0
  Bi  Bi1  1  0.61  0.66  0.73  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.95  0.0  0.95  1.0

data_Bi2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.33
_cell_length_c   7.89
_cell_angle_alpha   90.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2POs
_chemical_formula_sum   'Bi2 P1 Os1'
_cell_volume   87.42
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Bi  Bi0  1  0.34  0.37  0.84  1.0
  Bi  Bi1  1  0.34  0.39  0.27  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.05  0.05  1.0

Bi Bi P Os