data_[Zn8Cu20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.4448]
_cell_length_b [4.7719]
_cell_length_c [8.6413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Zn2Cu5Au2]
_chemical_formula_sum '[Zn8 Cu20 Au8]'
_cell_volume [496.9778]
_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
[
  Zn  Zn0  4  0.0524  0.9222  0.8861  1
  Zn  Zn1  4  0.1190  0.4229  0.7810  1
  Cu  Cu2  4  0.0612  0.7295  0.3827  1
  Cu  Cu3  4  0.1170  0.2200  0.2796  1
  Cu  Cu4  4  0.1660  0.7454  0.1636  1
  Cu  Cu5  4  0.2186  0.2162  0.0465  1
  Cu  Cu6  4  0.2250  0.4121  0.5568  1
  Au  Au7  4  0.1730  0.9094  0.6732  1
  Au  Au8  2  0.0000  0.2507  0.5000  1
  Au  Au9  2  0.0000  0.4218  0.0000  1
]