data_IrPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.96
_cell_angle_alpha   104.83
_cell_angle_beta   104.83
_cell_angle_gamma   56.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPb2Au
_chemical_formula_sum   'Ir1 Pb2 Au1'
_cell_volume   96.61
_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  Ir1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.96  0.0  0.5  1.0
  Pb  Pb3  1  0.34  0.0  0.17  1.0
  Au  Au0  1  0.65  0.0  0.33  1.0

data_IrPb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.16
_cell_length_c   6.96
_cell_angle_alpha   104.83
_cell_angle_beta   90.0
_cell_angle_gamma   118.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPb2Au
_chemical_formula_sum   'Ir1 Pb2 Au1'
_cell_volume   96.61
_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  0.0  1.0
  Pb  Pb1  1  0.0  0.04  0.5  1.0
  Pb  Pb2  1  0.0  0.66  0.83  1.0
  Au  Au3  1  0.0  0.35  0.67  1.0

Ir Pb Pb Au