data_[Zn7Cd2Au12]
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-6]
_cell_length_a [11.8850]
_cell_length_b [11.8850]
_cell_length_c [2.9572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Zn7(CdAu6)2]
_chemical_formula_sum '[Zn7 Cd2 Au12]'
_cell_volume [361.7471]
_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  3  0.0416  0.2521  0.0000  1
  Zn  Zn1  3  0.4545  0.3738  0.5000  1
  Zn  Zn2  1  0.3333  0.6667  0.0000  1
  Cd  Cd3  1  0.0000  0.0000  0.5000  1
  Cd  Cd4  1  0.6667  0.3333  0.0000  1
  Au  Au5  3  0.0790  0.4968  0.0000  1
  Au  Au6  3  0.1757  0.7465  0.5000  1
  Au  Au7  3  0.2348  0.1951  0.0000  1
  Au  Au8  3  0.4294  0.1425  0.5000  1
]