data_[Zn9Cd2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4605]
_cell_length_b [4.4605]
_cell_length_c [15.3893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Zn9(CdAu2)2]
_chemical_formula_sum '[Zn9 Cd2 Au4]'
_cell_volume [265.1616]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1460  1
  Zn  Zn1  2  0.0000  0.0000  0.3232  1
  Zn  Zn2  2  0.3333  0.6667  0.5669  1
  Zn  Zn3  2  0.3333  0.6667  0.9419  1
  Zn  Zn4  1  0.0000  0.0000  0.5000  1
  Cd  Cd5  2  0.3333  0.6667  0.7565  1
  Au  Au6  2  0.3333  0.6667  0.3876  1
  Au  Au7  2  0.3333  0.6667  0.1106  1
]