data_[Cs8Tl20Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.0157]
_cell_length_b [16.5061]
_cell_length_c [17.2850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cs2Tl5Te4]
_chemical_formula_sum '[Cs8 Tl20 Te16]'
_cell_volume [2001.6449]
_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
[
  Cs  Cs0  8  0.0000  0.0000  0.1725  1.0
  Tl  Tl1  8  0.2500  0.2500  0.0000  1.0
  Tl  Tl2  8  0.2500  0.2500  0.2500  1.0
  Tl  Tl3  4  0.0000  0.0000  0.5000  1.0
  Te  Te4  16  0.0000  0.1341  0.3628  1.0
]