data_[Pt4Pb16Au4]
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/c]
_cell_length_a [10.1195]
_cell_length_b [9.6565]
_cell_length_c [8.1154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PtPb4Au]
_chemical_formula_sum '[Pt4 Pb16 Au4]'
_cell_volume [671.8436]
_cell_formula_units_Z [4]
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  0.1267  0.7500  1.0
  Pb  Pb1  8  0.1301  0.1199  0.5030  1.0
  Pb  Pb2  8  0.1397  0.3709  0.0039  1.0
  Au  Au3  4  0.0000  0.3753  0.2500  1.0
]