data_[Hf16Ag4Te32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [F-43m]
_cell_length_a [11.8033]
_cell_length_b [11.8033]
_cell_length_c [11.8033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Hf4AgTe8]
_chemical_formula_sum '[Hf16 Ag4 Te32]'
_cell_volume [1644.4190]
_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  16  0.1315  0.1315  0.3685  1.0
  Ag  Ag1  4  0.2500  0.2500  0.7500  1.0
  Te  Te2  16  0.1167  0.1167  0.6167  1.0
  Te  Te3  16  0.1234  0.1234  0.1234  1.0
]