data_[K16Hf8Ag8Te32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.4525]
_cell_length_b [14.2331]
_cell_length_c [26.8490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [K2HfAgTe4]
_chemical_formula_sum '[K16 Hf8 Ag8 Te32]'
_cell_volume [2465.7912]
_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
[
  K  K0  16  0.0000  0.0000  0.1808  1.0
  Hf  Hf1  8  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  8  0.0000  0.0000  0.5000  1.0
  Te  Te3  32  0.0151  0.1358  0.3094  1.0
]