data_[Zn4Cu8Au12]
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/m]
_cell_length_a [18.5732]
_cell_length_b [2.7980]
_cell_length_c [7.8514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnCu2Au3]
_chemical_formula_sum '[Zn4 Cu8 Au12]'
_cell_volume [385.6730]
_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  4  0.1734  0.5000  0.0475  1.0
  Cu  Cu1  4  0.0777  0.0000  0.1609  1.0
  Cu  Cu2  4  0.1954  0.5000  0.3850  1.0
  Au  Au3  4  0.0638  0.0000  0.8051  1.0
  Au  Au4  4  0.0663  0.5000  0.4494  1.0
  Au  Au5  4  0.2057  0.5000  0.7389  1.0
]