data_[Zn6Cu45Au6]
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 [R-3m]
_cell_length_a [8.3610]
_cell_length_b [8.3610]
_cell_length_c [12.5992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zn2Cu15Au2]
_chemical_formula_sum '[Zn6 Cu45 Au6]'
_cell_volume [762.7582]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1045  1
  Cu  Cu1  18  0.0000  0.3148  0.0000  1
  Cu  Cu2  18  0.0046  0.5023  0.1580  1
  Cu  Cu3  9  0.0000  0.5000  0.5000  1
  Au  Au4  6  0.0000  0.0000  0.3578  1
]