data_BiOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14
_cell_length_b   10.14
_cell_length_c   10.14
_cell_angle_alpha   17.49
_cell_angle_beta   17.49
_cell_angle_gamma   17.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOs2Br
_chemical_formula_sum   'Bi1 Os2 Br1'
_cell_volume   82.25
_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  0.42  1.0
  Os  Os2  1  0.0  0.0  0.77  1.0
  Os  Os3  1  0.0  0.0  0.85  1.0
  Br  Br1  1  0.0  0.0  0.86  1.0

data_BiOs2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   3.08
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   100.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiOs2Br
_chemical_formula_sum   'Bi2 Os4 Br2'
_cell_volume   164.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.58  1.0
  Os  Os1  2  0.0  0.0  0.15  1.0
  Os  Os2  2  0.0  0.0  0.23  1.0
  Br  Br3  2  0.0  0.0  0.14  1.0

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