data_[Hf16Ag4S32]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.5802]
_cell_length_b [10.5802]
_cell_length_c [10.5802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Hf4AgS8]
_chemical_formula_sum '[Hf16 Ag4 S32]'
_cell_volume [1184.3603]
_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  0.1283  0.1283  0.6283  1.0
  Ag  Ag1  4  0.2500  0.2500  0.2500  1.0
  S  S2  16  0.1151  0.1151  0.3849  1.0
  S  S3  16  0.1306  0.1306  0.8694  1.0
]