data_ReBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBiPb2
_chemical_formula_sum   'Re1 Bi1 Pb2'
_cell_volume   105.86
_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  0.0  0.0  0.31  1.0
  Bi  Bi0  1  0.79  0.0  0.2  1.0
  Pb  Pb1  1  0.0  0.0  0.64  1.0
  Pb  Pb2  1  0.79  0.0  0.55  1.0

data_ReBiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBiPb2
_chemical_formula_sum   'Re1 Bi1 Pb2'
_cell_volume   105.86
_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  0.31  1.0
  Bi  Bi1  1  0.79  0.0  0.2  1.0
  Pb  Pb2  1  0.0  0.0  0.64  1.0
  Pb  Pb3  1  0.79  0.0  0.55  1.0

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