data_[Hf2Ag4Te6]
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 [P2_1/m]
_cell_length_a [8.1908]
_cell_length_b [4.1150]
_cell_length_c [11.2869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfAg2Te3]
_chemical_formula_sum '[Hf2 Ag4 Te6]'
_cell_volume [371.5865]
_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  0.2364  0.7500  0.2106  1.0
  Ag  Ag1  2  0.0598  0.7500  0.9294  1.0
  Ag  Ag2  2  0.4046  0.2500  0.4202  1.0
  Te  Te3  2  0.0606  0.2500  0.3225  1.0
  Te  Te4  2  0.2942  0.2500  0.0319  1.0
  Te  Te5  2  0.4305  0.2500  0.6821  1.0
]