data_Rh5Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh5Br
_chemical_formula_sum   'Rh5 Br1'
_cell_volume   102.17
_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  0.57  0.48  0.0  1.0
  Rh  Rh2  1  0.0  0.97  0.0  1.0
  Rh  Rh3  1  0.71  0.23  0.23  1.0
  Rh  Rh4  1  0.29  0.23  0.23  1.0
  Rh  Rh5  1  0.57  0.0  0.23  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Rh5Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh5Br
_chemical_formula_sum   'Rh5 Br1'
_cell_volume   102.17
_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  0.97  1.0
  Rh  Rh1  1  0.0  0.57  0.48  1.0
  Rh  Rh2  1  0.23  0.29  0.23  1.0
  Rh  Rh3  1  0.23  0.57  0.0  1.0
  Rh  Rh4  1  0.23  0.71  0.23  1.0
  Br  Br5  1  0.0  0.0  0.0  1.0

Rh Rh Rh Rh Rh Br