data_[Zn36Cu18Au3]
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 [10.3295]
_cell_length_b [10.3295]
_cell_length_c [8.8451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zn12Cu6Au]
_chemical_formula_sum '[Zn36 Cu18 Au3]'
_cell_volume [817.3289]
_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  18  0.0000  0.2629  0.0000  1.0
  Zn  Zn1  18  0.0737  0.5369  0.1179  1.0
  Cu  Cu2  18  0.0861  0.1722  0.7443  1.0
  Au  Au3  3  0.0000  0.0000  0.0000  1.0
]