data_Rh2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh2BrCl
_chemical_formula_sum   'Rh2 Br1 Cl1'
_cell_volume   82.35
_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  0.47  0.0  0.05  1.0
  Rh  Rh3  1  0.0  0.0  0.87  1.0
  Br  Br0  1  0.47  0.0  0.74  1.0
  Cl  Cl1  1  0.0  0.0  0.77  1.0

data_Rh2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   3.12
_cell_length_c   10.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh2BrCl
_chemical_formula_sum   'Rh2 Br1 Cl1'
_cell_volume   82.35
_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  Rh0  1  0.0  0.0  0.87  1.0
  Rh  Rh1  1  0.0  0.47  0.05  1.0
  Br  Br2  1  0.0  0.47  0.74  1.0
  Cl  Cl3  1  0.0  0.0  0.77  1.0

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