data_OsAuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   131.78
_cell_angle_beta   131.78
_cell_angle_gamma   70.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsAuBr2
_chemical_formula_sum   'Os1 Au1 Br2'
_cell_volume   83.4
_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  Os3  1  0.0  0.0  0.37  1.0
  Au  Au0  1  0.0  0.19  0.18  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.19  0.0  0.18  1.0

data_OsAuBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.35
_cell_angle_alpha   114.11
_cell_angle_beta   114.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsAuBr2
_chemical_formula_sum   'Os1 Au1 Br2'
_cell_volume   83.4
_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  0.37  0.37  0.37  1.0
  Au  Au1  1  1.0  0.18  1.0  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.18  1.0  1.0  1.0

Os Au Br Br