data_[Cs4Li8Tl4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1387]
_cell_length_b [10.7660]
_cell_length_c [6.7636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLi2TlF6]
_chemical_formula_sum '[Cs4 Li8 Tl4 F24]'
_cell_volume [631.9431]
_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  4  0.0000  0.1598  0.7500  1.0
  Li  Li1  8  0.2326  0.0953  0.3172  1.0
  Tl  Tl2  4  0.0000  0.4104  0.2500  1.0
  F  F3  8  0.0540  0.3973  0.5930  1.0
  F  F4  8  0.1465  0.2468  0.2251  1.0
  F  F5  8  0.2379  0.0191  0.5903  1.0
]