data_[Cs2Tl2F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8224]
_cell_length_b [6.8277]
_cell_length_c [6.8419]
_cell_angle_alpha [90.1014]
_cell_angle_beta [119.8418]
_cell_angle_gamma [119.0352]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTlF3]
_chemical_formula_sum '[Cs2 Tl2 F6]'
_cell_volume [228.9281]
_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  2  0.4998  0.7446  0.2535  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.5000  0.5000  1.0
  F  F3  2  0.0192  0.3347  0.7819  1.0
  F  F4  2  0.0319  0.7885  0.6896  1.0
  F  F5  2  0.4507  0.7068  0.6967  1.0
]