data_[Tl12Ag8Te16]
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 [C2/c]
_cell_length_a [15.0633]
_cell_length_b [11.3902]
_cell_length_c [6.7927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(AgTe2)2]
_chemical_formula_sum '[Tl12 Ag8 Te16]'
_cell_volume [1162.7076]
_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
[
  Tl  Tl0  8  0.1276  0.1305  0.4869  1.0
  Tl  Tl1  4  0.0000  0.3771  0.7500  1.0
  Ag  Ag2  8  0.2109  0.3591  0.0630  1.0
  Te  Te3  8  0.1054  0.1541  0.9927  1.0
  Te  Te4  8  0.1485  0.4193  0.4305  1.0
]