data_BiOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOsBr2
_chemical_formula_sum   'Bi1 Os1 Br2'
_cell_volume   102.04
_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  0.25  0.0  0.1  1.0
  Os  Os3  1  0.0  0.0  0.92  1.0
  Br  Br1  1  0.0  0.0  0.21  1.0
  Br  Br2  1  0.25  0.0  0.6  1.0

data_BiOsBr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BiOsBr2
_chemical_formula_sum   'Bi1 Os1 Br2'
_cell_volume   102.06
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.25  0.0  0.1  1.0
  Os  Os1  1  0.0  0.0  0.92  1.0
  Br  Br2  1  0.0  0.0  0.21  1.0
  Br  Br3  1  0.25  0.0  0.6  1.0

Bi Os Br Br