data_Bi2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   131.95
_cell_angle_beta   131.95
_cell_angle_gamma   70.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2OsCl
_chemical_formula_sum   'Bi2 Os1 Cl1'
_cell_volume   94.88
_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  0.0  0.57  1.0
  Bi  Bi1  1  0.0  0.28  0.29  1.0
  Os  Os3  1  0.28  0.0  0.29  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Bi2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.59
_cell_angle_alpha   114.03
_cell_angle_beta   114.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2OsCl
_chemical_formula_sum   'Bi2 Os1 Cl1'
_cell_volume   94.88
_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  0.43  0.0  0.43  1.0
  Bi  Bi1  1  0.99  0.28  0.99  1.0
  Os  Os2  1  0.71  0.0  0.99  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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