data_[K4Hf4Ag4Te12]
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 [Pnma]
_cell_length_a [12.9755]
_cell_length_b [4.2948]
_cell_length_c [13.4545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KHfAgTe3]
_chemical_formula_sum '[K4 Hf4 Ag4 Te12]'
_cell_volume [749.7796]
_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
[
  K  K0  4  0.1680  0.7500  0.9760  1
  Hf  Hf1  4  0.0491  0.7500  0.6628  1
  Ag  Ag2  4  0.2497  0.2500  0.7912  1
  Te  Te3  4  0.0312  0.2500  0.8144  1
  Te  Te4  4  0.0818  0.7500  0.4295  1
  Te  Te5  4  0.2391  0.2500  0.1566  1
]