data_Os3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   68.3
_cell_angle_beta   68.3
_cell_angle_gamma   68.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Br2
_chemical_formula_sum   'Os6 Br4'
_cell_volume   171.88
_cell_formula_units_Z   2
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
  Os  Os4  1  0.82  0.58  0.13  1.0
  Os  Os5  1  0.82  0.42  0.13  1.0
  Os  Os6  1  0.36  0.0  0.13  1.0
  Os  Os7  1  0.18  0.42  0.38  1.0
  Os  Os8  1  0.64  0.0  0.38  1.0
  Os  Os9  1  0.18  0.58  0.38  1.0
  Br  Br0  1  0.0  0.0  0.3  1.0
  Br  Br1  1  0.0  0.0  0.46  1.0
  Br  Br2  1  0.0  0.0  0.05  1.0
  Br  Br3  1  0.0  0.0  0.21  1.0

data_Os3Br2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   68.3
_cell_angle_beta   68.3
_cell_angle_gamma   68.3
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Os3Br2
_chemical_formula_sum   'Os6 Br4'
_cell_volume   171.88
_cell_formula_units_Z   2
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
  Os  Os0  2  0.0  0.36  0.38  1.0
  Os  Os1  2  0.42  0.82  0.38  1.0
  Os  Os2  2  0.42  0.18  0.62  1.0
  Br  Br3  2  0.0  0.0  0.3  1.0
  Br  Br4  2  0.0  0.0  0.46  1.0

Os Os Os Os Os Os Br Br Br Br
Os Os Os Os Os Os Br Br Br Br 0 1 o o o 2 9 o o o 2 8 o o o 2 7 o o o 2 6 o o o 3 5 o o o 4 9 + o o 4 8 + o o 4 7 + o o 4 6 + o o 6 9 o o o 6 7 o o o 8 9 o o o 