data_[Hf22Zn18Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [12.9496]
_cell_length_b [19.5429]
_cell_length_c [3.2807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf11Zn9Ni4]
_chemical_formula_sum '[Hf22 Zn18 Ni8]'
_cell_volume [830.2462]
_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  8  0.2406  0.1703  0.0000  1
  Hf  Hf1  4  0.0000  0.1628  0.0000  1
  Hf  Hf2  4  0.0000  0.3682  0.0000  1
  Hf  Hf3  4  0.1977  0.5000  0.0000  1
  Hf  Hf4  2  0.0000  0.0000  0.0000  1
  Zn  Zn5  8  0.1048  0.2625  0.5000  1
  Zn  Zn6  8  0.1421  0.0707  0.5000  1
  Zn  Zn7  2  0.0000  0.5000  0.5000  1
  Ni  Ni8  8  0.1514  0.3996  0.5000  1
]