data_OsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsBr2
_chemical_formula_sum   'Os2 Br4'
_cell_volume   134.46
_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  0.0  0.0  0.0  1.0
  Os  Os5  1  0.92  0.92  0.96  1.0
  Br  Br0  1  0.78  0.78  0.0  1.0
  Br  Br1  1  0.07  0.07  0.0  1.0
  Br  Br2  1  0.7  0.15  0.96  1.0
  Br  Br3  1  0.15  0.7  0.96  1.0

data_OsBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   OsBr2
_chemical_formula_sum   'Os4 Br8'
_cell_volume   268.91
_cell_formula_units_Z   4
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
  Os  Os0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.42  0.5  0.96  1.0
  Br  Br2  4  0.42  0.28  0.96  1.0
  Br  Br3  2  0.07  0.0  0.0  1.0
  Br  Br4  2  0.28  0.5  0.0  1.0

Os Os Br Br Br Br
Os Os Br Br Br Br 0 1 - - - 0 3 o o o 0 4 - o - 0 5 o - - 1 2 o o + 1 4 o + o 1 5 + o o 2 4 o + - 2 5 + o - 3 4 - o - 3 5 o - - 