data_[Li4Hf16Te32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.7166]
_cell_length_b [11.7166]
_cell_length_c [11.7166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Li(HfTe2)4]
_chemical_formula_sum '[Li4 Hf16 Te32]'
_cell_volume [1608.4275]
_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
[
  Li  Li0  4  0.2500  0.2500  0.2500  1
  Hf  Hf1  16  0.1301  0.1301  0.6301  1
  Te  Te2  16  0.1197  0.1197  0.3803  1
  Te  Te3  16  0.1232  0.1232  0.8768  1
]