data_[Hf2Tl2Ag2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  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 [8.7003]
_cell_length_b [4.1810]
_cell_length_c [10.8323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfTlAgTe3]
_chemical_formula_sum '[Hf2 Tl2 Ag2 Te6]'
_cell_volume [369.8238]
_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  0.3009  0.7500  0.8286  1.0
  Tl  Tl1  2  0.2643  0.2500  0.2913  1.0
  Ag  Ag2  2  0.0741  0.2500  0.6025  1.0
  Te  Te3  2  0.0847  0.2500  0.8621  1.0
  Te  Te4  2  0.2759  0.7500  0.5607  1.0
  Te  Te5  2  0.4448  0.7500  0.1229  1.0
]