data_OsAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.76
_cell_angle_alpha   103.56
_cell_angle_beta   103.56
_cell_angle_gamma   33.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsAu2Br
_chemical_formula_sum   'Os1 Au2 Br1'
_cell_volume   91.5
_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  0.46  0.0  0.02  1.0
  Au  Au0  1  0.37  0.0  0.45  1.0
  Au  Au1  1  0.35  0.0  0.3  1.0
  Br  Br2  1  0.87  0.0  0.06  1.0

data_OsAu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.05
_cell_length_c   6.76
_cell_angle_alpha   103.56
_cell_angle_beta   90.0
_cell_angle_gamma   106.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsAu2Br
_chemical_formula_sum   'Os1 Au2 Br1'
_cell_volume   91.5
_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  0.54  0.98  1.0
  Au  Au1  1  0.0  0.63  0.55  1.0
  Au  Au2  1  0.0  0.65  0.7  1.0
  Br  Br3  1  0.0  0.13  0.94  1.0

Os Au Au Br