data_[Hf20Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7488]
_cell_length_b [5.9118]
_cell_length_c [6.2352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf5Se2]
_chemical_formula_sum '[Hf20 Se8]'
_cell_volume [578.8956]
_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  0.0996  0.0736  0.9323  1
  Hf  Hf1  8  0.2270  0.3605  0.2741  1
  Hf  Hf2  4  0.0000  0.3730  0.2500  1
  Se  Se3  8  0.1156  0.3452  0.5943  1
]