data_Os2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   128.21
_cell_angle_beta   128.21
_cell_angle_gamma   76.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2RhBr
_chemical_formula_sum   'Os2 Rh1 Br1'
_cell_volume   61.47
_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  0.04  0.0  0.84  1.0
  Os  Os2  1  0.0  0.04  0.84  1.0
  Rh  Rh3  1  0.0  0.0  0.68  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Os2RhBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   128.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Os2RhBr
_chemical_formula_sum   'Os4 Rh2 Br2'
_cell_volume   122.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.18  0.02  0.2  1.0
  Rh  Rh1  2  0.32  0.0  0.32  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

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