data_ReRhPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.38
_cell_angle_alpha   109.22
_cell_angle_beta   109.22
_cell_angle_gamma   31.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRhPb2
_chemical_formula_sum   'Re1 Rh1 Pb2'
_cell_volume   81.78
_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  Re2  1  0.88  0.0  0.29  1.0
  Rh  Rh3  1  0.81  0.0  0.02  1.0
  Pb  Pb0  1  0.71  0.0  0.73  1.0
  Pb  Pb1  1  0.69  0.0  0.6  1.0

data_ReRhPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.38
_cell_length_c   5.55
_cell_angle_alpha   109.22
_cell_angle_beta   105.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRhPb2
_chemical_formula_sum   'Re1 Rh1 Pb2'
_cell_volume   81.78
_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  0.29  0.88  1.0
  Rh  Rh1  1  0.0  0.02  0.81  1.0
  Pb  Pb2  1  0.0  0.6  0.69  1.0
  Pb  Pb3  1  0.0  0.73  0.71  1.0

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