data_OsPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.33
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPtBr2
_chemical_formula_sum   'Os1 Pt1 Br2'
_cell_volume   94.38
_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
  Os  Os2  1  0.0  0.0  0.76  1.0
  Pt  Pt3  1  0.41  0.16  0.28  1.0
  Br  Br0  1  0.0  0.0  0.17  1.0
  Br  Br1  1  0.41  0.16  0.15  1.0

data_OsPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.33
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPtBr2
_chemical_formula_sum   'Os1 Pt1 Br2'
_cell_volume   94.38
_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
  Os  Os0  1  0.0  0.0  0.76  1.0
  Pt  Pt1  1  0.41  0.16  0.28  1.0
  Br  Br2  1  0.0  0.0  0.17  1.0
  Br  Br3  1  0.41  0.16  0.15  1.0

Os Pt Br Br
Os Pt Br Br 0 0 + o o 0 3 o o + 0 2 o o + 1 3 o o o 1 2 o o o 2 3 o o o 