data_[Tl6Ag8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Immm]
_cell_length_a [5.1378]
_cell_length_b [7.5009]
_cell_length_c [16.1608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tl3(AgTe)4]
_chemical_formula_sum '[Tl6 Ag8 Te8]'
_cell_volume [622.8009]
_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
[
  Tl  Tl0  4  0.0000  0.0000  0.1195  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag2  8  0.0000  0.1949  0.6744  1.0
  Te  Te3  4  0.0000  0.2878  0.5000  1.0
  Te  Te4  4  0.0000  0.5000  0.2158  1.0
]