data_[Hf24Zn8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6917]
_cell_length_b [9.2244]
_cell_length_c [8.6279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf3ZnAu]
_chemical_formula_sum '[Hf24 Zn8 Au8]'
_cell_volume [802.1591]
_cell_formula_units_Z [8]
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
[
  Hf  Hf0  8  0.1177  0.1582  0.6127  1
  Hf  Hf1  8  0.1631  0.4915  0.5837  1
  Hf  Hf2  8  0.1850  0.1579  0.0641  1
  Zn  Zn3  8  0.1218  0.2995  0.2976  1
  Au  Au4  4  0.0000  0.0339  0.2500  1
  Au  Au5  4  0.0000  0.3718  0.7500  1
]