data_[Hf20Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3634]
_cell_length_b [5.2776]
_cell_length_c [8.2193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf5Sn2]
_chemical_formula_sum '[Hf20 Sn8]'
_cell_volume [617.2250]
_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  0.1409  0.1981  0.9664  1
  Hf  Hf1  8  0.2099  0.3115  0.3212  1
  Hf  Hf2  4  0.0000  0.2024  0.2500  1
  Sn  Sn3  8  0.0812  0.3017  0.6058  1
]