data_[Zn12Cu16Au8]
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 [11.3760]
_cell_length_b [9.7977]
_cell_length_c [4.7760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn3(Cu2Au)2]
_chemical_formula_sum '[Zn12 Cu16 Au8]'
_cell_volume [529.9981]
_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  0.0994  0.1002  0.4130  1.0
  Zn  Zn1  4  0.0000  0.4964  0.2500  1.0
  Cu  Cu2  8  0.0529  0.2735  0.0072  1.0
  Cu  Cu3  8  0.1643  0.3441  0.5644  1.0
  Au  Au4  8  0.2360  0.1081  0.9093  1.0
]