data_[Hf2Ag8Te8]
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 [I-42m]
_cell_length_a [6.5340]
_cell_length_b [6.5340]
_cell_length_c [13.0998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Hf(AgTe)4]
_chemical_formula_sum '[Hf2 Ag8 Te8]'
_cell_volume [559.2731]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  4  0.0000  0.0000  0.2430  1.0
  Ag  Ag2  4  0.0000  0.5000  0.0000  1.0
  Te  Te3  8  0.2480  0.2480  0.1227  1.0
]