data_[Hf12Ni12Sb16]
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 [I-43d]
_cell_length_a [9.0846]
_cell_length_b [9.0846]
_cell_length_c [9.0846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Hf3Ni3Sb4]
_chemical_formula_sum '[Hf12 Ni12 Sb16]'
_cell_volume [749.7482]
_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  12  0.0000  0.2500  0.8750  1.0
  Ni  Ni1  12  0.0000  0.2500  0.3750  1.0
  Sb  Sb2  16  0.0833  0.4167  0.5833  1.0
]