data_Rh2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh2WBr
_chemical_formula_sum   'Rh2 W1 Br1'
_cell_volume   64.14
_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
  Rh  Rh1  1  0.48  0.48  0.02  1.0
  Rh  Rh2  1  0.0  0.0  0.96  1.0
  W  W3  1  0.48  0.48  0.6  1.0
  Br  Br0  1  0.0  0.0  0.41  1.0

data_Rh2WBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Rh2WBr
_chemical_formula_sum   'Rh4 W2 Br2'
_cell_volume   128.27
_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
  Rh  Rh0  2  0.0  0.0  0.96  1.0
  Rh  Rh1  2  0.48  0.0  0.02  1.0
  W  W2  2  0.48  0.0  0.6  1.0
  Br  Br3  2  0.0  0.0  0.41  1.0

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