data_RhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   151.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RhBr2
_chemical_formula_sum   'Rh2 Br4'
_cell_volume   173.22
_cell_formula_units_Z   2
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  Rh4  1  0.81  0.58  0.11  1.0
  Rh  Rh5  1  0.81  0.42  0.7  1.0
  Br  Br0  1  0.81  0.88  0.11  1.0
  Br  Br1  1  0.81  0.2  0.11  1.0
  Br  Br2  1  0.81  0.12  0.7  1.0
  Br  Br3  1  0.81  0.8  0.7  1.0

data_RhBr2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.61
_cell_length_b   6.82
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   104.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RhBr2
_chemical_formula_sum   'Rh2 Br4'
_cell_volume   173.22
_cell_formula_units_Z   2
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  0.42  0.2  0.42  1.0
  Br  Br1  2  0.12  0.2  0.12  1.0
  Br  Br2  2  0.2  0.8  0.2  1.0

Rh Rh Br Br Br Br
Rh Rh Br Br Br Br 0 2 o o o 0 3 o o o 1 4 o o o 1 5 o o o 2 3 o + o 2 5 o o - 3 4 o o - 4 5 o - o 