data_[Zn1Pd8Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.4903]
_cell_length_b [7.4903]
_cell_length_c [5.5061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Zn(Pd4Au3)2]
_chemical_formula_sum '[Zn1 Pd8 Au6]'
_cell_volume [267.5349]
_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  1  0.0000  0.0000  0.5000  1
  Pd  Pd1  6  0.0116  0.7034  0.8512  1
  Pd  Pd2  2  0.3333  0.6667  0.0231  1
  Au  Au3  6  0.0148  0.6532  0.3520  1
]