data_[Pt1Pb2Au1]
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 [Pm]
_cell_length_a [3.9674]
_cell_length_b [4.4655]
_cell_length_c [5.6188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [PtPb2Au]
_chemical_formula_sum '[Pt1 Pb2 Au1]'
_cell_volume [94.5799]
_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
[
  Pt  Pt0  1  0.8730  0.0000  0.5449  1.0
  Pb  Pb1  1  0.0984  0.0000  0.0851  1.0
  Pb  Pb2  1  0.3905  0.5000  0.6596  1.0
  Au  Au3  1  0.6382  0.5000  0.2103  1.0
]