data_ZnIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.54
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIr2Pb
_chemical_formula_sum   'Zn1 Ir2 Pb1'
_cell_volume   66.93
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.54  0.77  0.38  1.0
  Ir  Ir1  1  0.54  0.77  0.73  1.0
  Pb  Pb2  1  0.0  0.0  0.06  1.0

data_ZnIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.54
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIr2Pb
_chemical_formula_sum   'Zn1 Ir2 Pb1'
_cell_volume   66.93
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.54  0.77  0.38  1.0
  Ir  Ir2  1  0.54  0.77  0.73  1.0
  Pb  Pb3  1  0.0  0.0  0.06  1.0

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