data_OsRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.61
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   91.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsRh2Br
_chemical_formula_sum   'Os1 Rh2 Br1'
_cell_volume   69.28
_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  0.31  0.0  0.42  1.0
  Rh  Rh2  1  0.9  0.81  0.74  1.0
  Rh  Rh3  1  0.73  0.81  0.11  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   2.8
_cell_length_b   3.61
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   91.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsRh2Br
_chemical_formula_sum   'Os1 Rh2 Br1'
_cell_volume   69.28
_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  0.31  0.0  0.42  1.0
  Rh  Rh1  1  0.73  0.81  0.11  1.0
  Rh  Rh2  1  0.9  0.81  0.74  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Os Rh Rh Br
Os Rh Rh Br 0 2 - - o 0 2 o - o 0 1 - - o 0 1 o - o 0 3 o o o 0 0 + o o 1 3 + + + 2 3 + + o 