data_OsRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   150.2
_cell_angle_beta   128.91
_cell_angle_gamma   60.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsRh2Br
_chemical_formula_sum   'Os1 Rh2 Br1'
_cell_volume   63.36
_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  Os1  1  0.0  0.0  0.75  1.0
  Rh  Rh2  1  0.41  0.0  0.49  1.0
  Rh  Rh3  1  0.0  0.37  0.26  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_OsRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.73
_cell_length_c   5.49
_cell_angle_alpha   115.55
_cell_angle_beta   104.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsRh2Br
_chemical_formula_sum   'Os1 Rh2 Br1'
_cell_volume   63.36
_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  0.75  0.75  1.0
  Rh  Rh1  1  0.0  0.49  0.08  1.0
  Rh  Rh2  1  0.63  0.89  0.89  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Os Rh Rh Br