data_IrPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   38.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPtPb2
_chemical_formula_sum   'Ir1 Pt1 Pb2'
_cell_volume   85.17
_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
  Ir  Ir0  1  0.0  0.0  0.96  1.0
  Pt  Pt3  1  0.06  0.0  0.2  1.0
  Pb  Pb1  1  0.06  0.0  0.25  1.0
  Pb  Pb2  1  0.0  0.0  0.87  1.0

data_IrPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.12
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   109.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPtPb2
_chemical_formula_sum   'Ir1 Pt1 Pb2'
_cell_volume   85.17
_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
  Ir  Ir0  1  0.04  0.0  0.04  1.0
  Pt  Pt1  1  0.8  0.06  0.8  1.0
  Pb  Pb2  1  0.13  0.0  0.13  1.0
  Pb  Pb3  1  0.75  0.06  0.75  1.0

Ir Pt Pb Pb