data_BiP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.03
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   101.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiP2Os
_chemical_formula_sum   'Bi1 P2 Os1'
_cell_volume   77.03
_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  0.62  0.0  0.29  1.0
  P  P2  1  0.22  0.02  0.03  1.0
  P  P3  1  0.02  0.02  0.55  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0

data_BiP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.17
_cell_length_c   4.67
_cell_angle_alpha   101.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiP2Os
_chemical_formula_sum   'Bi1 P2 Os1'
_cell_volume   77.03
_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  0.0  0.38  0.71  1.0
  P  P1  1  0.98  0.78  0.97  1.0
  P  P2  1  0.98  0.98  0.45  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Bi P P Os
Bi P P Os 0 1 o o o 0 2 + o o 1 3 o o o 1 2 o o - 2 3 o o + 