data_[Pt4Pb16Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8214]
_cell_length_b [12.6966]
_cell_length_c [5.6485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pt2Pb8Au]
_chemical_formula_sum '[Pt4 Pb16 Au2]'
_cell_volume [609.4290]
_cell_formula_units_Z [2]
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
[
  Pt  Pt0  4  0.0000  0.3185  0.0000  1.0
  Pb  Pb1  8  0.2026  0.1275  0.1054  1.0
  Pb  Pb2  4  0.0000  0.2343  0.5000  1.0
  Pb  Pb3  4  0.1335  0.5000  0.3128  1.0
  Au  Au4  2  0.0000  0.0000  0.5000  1.0
]