data_[Zn2Pb1Au1]
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 [3.6754]
_cell_length_b [4.5712]
_cell_length_c [5.2091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Zn2PbAu]
_chemical_formula_sum '[Zn2 Pb1 Au1]'
_cell_volume [87.4021]
_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  0.7333  0.5000  0.2473  1
  Zn  Zn1  1  0.7705  0.0000  0.0046  1
  Pb  Pb2  1  0.2524  0.5000  0.7457  1
  Au  Au3  1  0.7438  0.0000  0.5024  1
]