data_[Cs4Tl8I6F4]
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
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3686]
_cell_length_b [5.3686]
_cell_length_c [31.6151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2Tl4I3F2]
_chemical_formula_sum '[Cs4 Tl8 I6 F4]'
_cell_volume [911.2004]
_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
[
  Cs  Cs0  4  0.0000  0.0000  0.3077  1
  Tl  Tl1  8  0.0000  0.5000  0.0797  1
  I  I2  4  0.0000  0.0000  0.1787  1
  I  I3  2  0.0000  0.0000  0.0000  1
  F  F4  4  0.0000  0.0000  0.3986  1
]