data_[Ir6Pb3Au3]
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 [R3m]
_cell_length_a [2.9767]
_cell_length_b [2.9767]
_cell_length_c [29.1344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ir2PbAu]
_chemical_formula_sum '[Ir6 Pb3 Au3]'
_cell_volume [223.5604]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2593  1
  Ir  Ir1  3  0.0000  0.0000  0.9949  1
  Pb  Pb2  3  0.0000  0.0000  0.5057  1
  Au  Au3  3  0.0000  0.0000  0.7401  1
]