data_[Hf12Si4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4464]
_cell_length_b [3.7081]
_cell_length_c [7.6810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3SiSb]
_chemical_formula_sum '[Hf12 Si4 Sb4]'
_cell_volume [410.8895]
_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  4  0.0417  0.0000  0.2272  1
  Hf  Hf1  4  0.0979  0.5000  0.5619  1
  Hf  Hf2  4  0.2426  0.0000  0.7978  1
  Si  Si3  4  0.2046  0.0000  0.4270  1
  Sb  Sb4  4  0.1059  0.5000  0.9440  1
]