data_ReNiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.37
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiPb2
_chemical_formula_sum   'Re1 Ni1 Pb2'
_cell_volume   79.33
_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  0.71  0.0  0.66  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.18  0.66  1.0
  Pb  Pb2  1  0.71  0.18  0.0  1.0

data_ReNiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.37
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiPb2
_chemical_formula_sum   'Re1 Ni1 Pb2'
_cell_volume   79.33
_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  0.71  0.0  0.66  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.18  0.66  1.0
  Pb  Pb3  1  0.71  0.18  -0.0  1.0

Re Ni Pb Pb
Re Ni Pb Pb 0 2 + o o 1 3 - o o 