data_[Hf20Si4Sb8]
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 [Cmcm]
_cell_length_a [5.0621]
_cell_length_b [13.5036]
_cell_length_c [12.0001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf5SiSb2]
_chemical_formula_sum '[Hf20 Si4 Sb8]'
_cell_volume [820.2907]
_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  8  0.0000  0.0995  0.1250  1
  Hf  Hf1  8  0.0000  0.3104  0.0301  1
  Hf  Hf2  4  0.0000  0.3030  0.7500  1
  Si  Si3  4  0.0000  0.2651  0.2500  1
  Sb  Sb4  8  0.0000  0.1143  0.6173  1
]