data_[Hf20Ni8Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.0786]
_cell_length_b [7.0786]
_cell_length_c [12.4596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Hf5Ni2Sb]
_chemical_formula_sum '[Hf20 Ni8 Sb4]'
_cell_volume [624.3109]
_cell_formula_units_Z [4]
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  16  0.1568  0.3432  0.1358  1
  Hf  Hf1  4  0.0000  0.0000  0.0000  1
  Ni  Ni2  8  0.1274  0.6274  0.0000  1
  Sb  Sb3  4  0.0000  0.0000  0.2500  1
]