data_[Zn16Cu2Au6]
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 [I-42m]
_cell_length_a [6.9095]
_cell_length_b [6.9095]
_cell_length_c [9.2646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Zn8CuAu3]
_chemical_formula_sum '[Zn16 Cu2 Au6]'
_cell_volume [442.3006]
_cell_formula_units_Z [2]
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  8  0.1350  0.1350  0.2231  1
  Zn  Zn1  8  0.2391  0.2391  0.9571  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0000  0.5000  0.2500  1
  Au  Au4  2  0.0000  0.0000  0.5000  1
]