data_[Zn2Cu8Au18]
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 [P6_3/mmc]
_cell_length_a [7.8705]
_cell_length_b [7.8705]
_cell_length_c [8.5528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [ZnCu4Au9]
_chemical_formula_sum '[Zn2 Cu8 Au18]'
_cell_volume [458.8282]
_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  2  0.3333  0.6667  0.2500  1
  Cu  Cu1  6  0.1058  0.2116  0.7500  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Au  Au3  12  0.2021  0.4042  0.0327  1
  Au  Au4  6  0.0749  0.5375  0.7500  1
]