data_[Zn8Cu12Au4]
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 [C2/c]
_cell_length_a [6.9028]
_cell_length_b [7.4252]
_cell_length_c [6.6360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn2Cu3Au]
_chemical_formula_sum '[Zn8 Cu12 Au4]'
_cell_volume [334.3338]
_cell_formula_units_Z [4]
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  0.1265  0.2599  0.6271  1.0
  Cu  Cu1  8  0.2281  0.4126  0.9980  1.0
  Cu  Cu2  4  0.0000  0.4191  0.2500  1.0
  Au  Au3  4  0.0000  0.0747  0.2500  1.0
]