data_[Zn18Cu36Au3]
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 [10.9959]
_cell_length_b [10.9959]
_cell_length_c [7.8292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zn6Cu12Au]
_chemical_formula_sum '[Zn18 Cu36 Au3]'
_cell_volume [819.8005]
_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  0.0696  0.5348  0.2323  1
  Cu  Cu1  18  0.0000  0.3871  0.5000  1
  Cu  Cu2  18  0.0805  0.1610  0.2677  1
  Au  Au3  3  0.0000  0.0000  0.0000  1
]