data_FeIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.47
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   91.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr2Pb
_chemical_formula_sum   'Fe1 Ir2 Pb1'
_cell_volume   67.51
_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  0.27  0.0  0.92  1.0
  Ir  Ir1  1  0.38  0.23  0.21  1.0
  Ir  Ir2  1  0.83  0.0  0.87  1.0
  Pb  Pb3  1  0.74  0.23  0.77  1.0

data_FeIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.47
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   91.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIr2Pb
_chemical_formula_sum   'Fe1 Ir2 Pb1'
_cell_volume   67.51
_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  0.27  0.0  0.92  1.0
  Ir  Ir1  1  0.38  0.23  0.21  1.0
  Ir  Ir2  1  0.83  0.0  0.87  1.0
  Pb  Pb3  1  0.74  0.23  0.77  1.0

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