data_[Cs1Tl1I2F8]
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 [P-3]
_cell_length_a [5.5559]
_cell_length_b [5.5559]
_cell_length_c [10.1168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsTl(IF4)2]
_chemical_formula_sum '[Cs1 Tl1 I2 F8]'
_cell_volume [270.4516]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Tl  Tl1  1  0.0000  0.0000  0.5000  1
  I  I2  2  0.3333  0.6667  0.7937  1
  F  F3  6  0.0750  0.3479  0.6337  1
  F  F4  2  0.3333  0.6667  0.0015  1
]