data_[Hf4Zn2Au12]
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/m]
_cell_length_a [4.9921]
_cell_length_b [15.1756]
_cell_length_c [4.9912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2ZnAu6]
_chemical_formula_sum '[Hf4 Zn2 Au12]'
_cell_volume [330.0512]
_cell_formula_units_Z [2]
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  4  0.0000  0.1628  0.5000  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Au  Au2  8  0.1671  0.3334  0.8304  1
  Au  Au3  4  0.1726  0.5000  0.3277  1
]