data_RePdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.3
_cell_angle_alpha   104.31
_cell_angle_beta   104.31
_cell_angle_gamma   31.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePdPb2
_chemical_formula_sum   'Re1 Pd1 Pb2'
_cell_volume   83.48
_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  Re3  1  0.31  0.0  0.02  1.0
  Pd  Pd2  1  0.13  0.0  0.38  1.0
  Pb  Pb0  1  0.32  0.0  0.79  1.0
  Pb  Pb1  1  0.96  0.0  0.61  1.0

data_RePdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.3
_cell_length_c   5.63
_cell_angle_alpha   104.31
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePdPb2
_chemical_formula_sum   'Re1 Pd1 Pb2'
_cell_volume   83.48
_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  0.02  0.31  1.0
  Pd  Pd1  1  0.0  0.38  0.13  1.0
  Pb  Pb2  1  0.0  0.61  0.96  1.0
  Pb  Pb3  1  0.0  0.79  0.32  1.0

Re Pd Pb Pb