data_[Hf24Te8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6773]
_cell_length_b [12.6447]
_cell_length_c [5.7889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf3TeSe]
_chemical_formula_sum '[Hf24 Te8 Se8]'
_cell_volume [926.4238]
_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  0.1465  0.0665  0.1237  1
  Hf  Hf1  8  0.1501  0.1958  0.6088  1
  Hf  Hf2  8  0.1638  0.3298  0.0570  1
  Te  Te3  8  0.1607  0.4261  0.5553  1
  Se  Se4  4  0.0000  0.0698  0.7500  1
  Se  Se5  4  0.0000  0.2248  0.2500  1
]