data_Rh2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh2BrCl
_chemical_formula_sum   'Rh2 Br1 Cl1'
_cell_volume   66.18
_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  Rh2  1  0.6  0.62  0.6  1.0
  Rh  Rh3  1  0.6  0.38  0.6  1.0
  Br  Br0  1  0.19  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Rh2BrCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.21
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Rh2BrCl
_chemical_formula_sum   'Rh2 Br1 Cl1'
_cell_volume   66.19
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Rh0  2  0.6  0.38  0.6  1.0
  Br  Br1  1  0.0  0.0  0.19  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Rh Rh Br Cl
Rh Rh Br Cl 0 1 o o o 2 3 o o o 