data_[Ir1Pb2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9065]
_cell_length_b [4.1098]
_cell_length_c [5.8656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [IrPb2Au]
_chemical_formula_sum '[Ir1 Pb2 Au1]'
_cell_volume [89.7115]
_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  0.3565  0.5000  0.8057  1
  Pb  Pb1  1  0.5924  0.5000  0.3187  1
  Pb  Pb2  1  0.8973  0.0000  0.9134  1
  Au  Au3  1  0.1538  0.0000  0.4622  1
]