data_[Hf8Zn176]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [14.0903]
_cell_length_b [14.0903]
_cell_length_c [14.0903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [HfZn22]
_chemical_formula_sum '[Hf8 Zn176]'
_cell_volume [2797.4385]
_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  0.0000  0.0000  0.5000  1
  Zn  Zn1  96  0.0552  0.1864  0.8136  1
  Zn  Zn2  48  0.0000  0.0000  0.1380  1
  Zn  Zn3  16  0.1250  0.1250  0.1250  1
  Zn  Zn4  16  0.1250  0.1250  0.6250  1
]