data_BiOs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.71
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   99.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOs2Se
_chemical_formula_sum   'Bi1 Os2 Se1'
_cell_volume   83.18
_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  0.37  0.86  0.22  1.0
  Os  Os1  1  0.2  0.0  0.4  1.0
  Os  Os2  1  0.66  0.86  0.56  1.0
  Se  Se3  1  0.66  0.0  0.35  1.0

data_BiOs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.71
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   99.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOs2Se
_chemical_formula_sum   'Bi1 Os2 Se1'
_cell_volume   83.18
_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  0.37  0.86  0.22  1.0
  Os  Os1  1  0.2  0.0  0.4  1.0
  Os  Os2  1  0.66  0.86  0.56  1.0
  Se  Se3  1  0.66  0.0  0.35  1.0

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