data_[Hf24In8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6429]
_cell_length_b [5.6440]
_cell_length_c [15.8498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf3InSn]
_chemical_formula_sum '[Hf24 In8 Sn8]'
_cell_volume [911.3595]
_cell_formula_units_Z [8]
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  0.0110  0.1773  0.0661  1
  Hf  Hf1  8  0.2368  0.8505  0.2923  1
  Hf  Hf2  8  0.2408  0.1862  0.5963  1
  In  In3  8  0.0027  0.3371  0.6448  1
  Sn  Sn4  4  0.0000  0.1916  0.2500  1
  Sn  Sn5  4  0.2500  0.2500  0.0000  1
]