data_ReRh2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.87
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   91.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRh2Pb
_chemical_formula_sum   'Re1 Rh2 Pb1'
_cell_volume   66.75
_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  Re1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.47  0.93  0.3  1.0
  Rh  Rh3  1  0.33  0.93  0.6  1.0
  Pb  Pb0  1  0.94  0.0  0.95  1.0

data_ReRh2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.87
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   91.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRh2Pb
_chemical_formula_sum   'Re1 Rh2 Pb1'
_cell_volume   66.75
_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  0.0  1.0
  Rh  Rh1  1  0.33  0.93  0.6  1.0
  Rh  Rh2  1  0.47  0.93  0.3  1.0
  Pb  Pb3  1  0.94  0.0  0.95  1.0

Re Rh Rh Pb
Re Rh Rh Pb 0 3 - o - 1 2 o o o 