data_[Tl8Ag20Te16]
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 [Fmmm]
_cell_length_a [5.8077]
_cell_length_b [14.6816]
_cell_length_c [15.7384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tl2Ag5Te4]
_chemical_formula_sum '[Tl8 Ag20 Te16]'
_cell_volume [1341.9500]
_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  0.0000  0.0000  0.1738  1.0
  Ag  Ag1  8  0.2500  0.2500  0.0000  1.0
  Ag  Ag2  8  0.2500  0.2500  0.2500  1.0
  Ag  Ag3  4  0.0000  0.0000  0.5000  1.0
  Te  Te4  16  0.0000  0.1409  0.3738  1.0
]