data_[Hf20In4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2866]
_cell_length_b [8.3578]
_cell_length_c [7.5728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf5InSb]
_chemical_formula_sum '[Hf20 In4 Sb4]'
_cell_volume [687.5973]
_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  0.0630  0.2757  0.6347  1
  Hf  Hf1  8  0.2069  0.4049  0.0897  1
  Hf  Hf2  4  0.0000  0.4162  0.2500  1
  In  In3  4  0.0000  0.0438  0.2500  1
  Sb  Sb4  4  0.2500  0.2500  0.5000  1
]