data_[Zn20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2562]
_cell_length_b [14.4157]
_cell_length_c [7.3203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn5Au3]
_chemical_formula_sum '[Zn20 Au12]'
_cell_volume [528.7049]
_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  0.1155  0.1728  0.6914  1.0
  Zn  Zn1  8  0.1468  0.4041  0.8498  1.0
  Zn  Zn2  4  0.2481  0.5000  0.4961  1.0
  Au  Au3  4  0.0000  0.2392  0.0000  1.0
  Au  Au4  4  0.0000  0.3332  0.5000  1.0
  Au  Au5  4  0.1285  0.0000  0.8336  1.0
]