data_ReRuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRuPb
_chemical_formula_sum   'Re1 Ru1 Pb1'
_cell_volume   54.33
_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  Re1  1  0.0  0.72  0.59  1.0
  Ru  Ru2  1  0.0  0.0  0.54  1.0
  Pb  Pb0  1  0.49  0.86  0.06  1.0

data_ReRuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRuPb
_chemical_formula_sum   'Re1 Ru1 Pb1'
_cell_volume   54.33
_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  0.0  0.72  0.59  1.0
  Ru  Ru1  1  0.0  0.0  0.54  1.0
  Pb  Pb2  1  0.49  0.86  0.06  1.0

Re Ru Pb
Re Ru Pb 0 1 o + o 2 2 + + o 2 2 o + o 2 2 + o o 