data_Re2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   3.92
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2IrPb
_chemical_formula_sum   'Re2 Ir1 Pb1'
_cell_volume   69.54
_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  0.0  0.0  0.31  1.0
  Re  Re3  1  0.45  0.96  0.41  1.0
  Ir  Ir0  1  0.0  0.0  0.93  1.0
  Pb  Pb1  1  0.45  0.96  0.54  1.0

data_Re2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.92
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2IrPb
_chemical_formula_sum   'Re2 Ir1 Pb1'
_cell_volume   69.54
_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
  Re  Re1  1  0.45  0.96  0.41  1.0
  Ir  Ir2  1  0.0  0.0  0.93  1.0
  Pb  Pb3  1  0.45  0.96  0.54  1.0

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