data_ReRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRh5
_chemical_formula_sum   'Re1 Rh5'
_cell_volume   87.57
_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
  Re  Re0  1  0.0  0.0  0.67  1.0
  Rh  Rh1  1  0.18  0.26  0.78  1.0
  Rh  Rh2  1  0.0  0.51  0.89  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0
  Rh  Rh4  1  0.18  0.26  0.44  1.0
  Rh  Rh5  1  0.0  0.51  0.55  1.0

data_ReRh5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRh5
_chemical_formula_sum   'Re1 Rh5'
_cell_volume   87.57
_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
  Re  Re0  1  0.0  0.0  0.67  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.51  0.55  1.0
  Rh  Rh3  1  0.0  0.51  0.89  1.0
  Rh  Rh4  1  0.18  0.26  0.44  1.0
  Rh  Rh5  1  0.18  0.26  0.78  1.0

Re Rh Rh Rh Rh Rh
Re Rh Rh Rh Rh Rh 0 1 o o o 0 3 o o + 0 4 o o o 1 2 o o o 1 3 o o + 1 4 o o o 1 5 o o o 2 5 o o o 4 5 o o o 