data_Fe2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.3
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2IrPb
_chemical_formula_sum   'Fe2 Ir1 Pb1'
_cell_volume   64.32
_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
  Fe  Fe0  1  0.0  0.0  0.01  1.0
  Fe  Fe1  1  0.0  0.15  0.51  1.0
  Ir  Ir2  1  0.53  0.0  0.81  1.0
  Pb  Pb3  1  0.53  0.15  0.01  1.0

data_Fe2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.3
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2IrPb
_chemical_formula_sum   'Fe2 Ir1 Pb1'
_cell_volume   64.32
_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
  Fe  Fe0  1  -0.0  0.15  0.51  1.0
  Fe  Fe1  1  0.0  0.0  0.01  1.0
  Ir  Ir2  1  0.53  0.0  0.81  1.0
  Pb  Pb3  1  0.53  0.15  0.01  1.0

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