data_[Zn1Pb2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2112]
_cell_length_b [4.2282]
_cell_length_c [5.9204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnPb2Au]
_chemical_formula_sum '[Zn1 Pb2 Au1]'
_cell_volume [98.7510]
_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
[
  Zn  Zn0  1  0.6927  0.0000  0.5255  1.0
  Pb  Pb1  1  0.2708  0.5000  0.6740  1.0
  Pb  Pb2  1  0.9754  0.0000  0.0685  1.0
  Au  Au3  1  0.5612  0.5000  0.2320  1.0
]