data_[Pt4Pb12Au4]
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 [P2_1/c]
_cell_length_a [9.7287]
_cell_length_b [6.4505]
_cell_length_c [9.6687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PtPb3Au]
_chemical_formula_sum '[Pt4 Pb12 Au4]'
_cell_volume [529.7655]
_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  0.0655  0.6861  0.0894  1.0
  Pb  Pb1  4  0.1493  0.5571  0.8581  1.0
  Pb  Pb2  4  0.2052  0.0578  0.0310  1.0
  Pb  Pb3  4  0.3919  0.5949  0.2906  1.0
  Au  Au4  4  0.4369  0.1652  0.3928  1.0
]