data_[K4Li4Tl4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.2843]
_cell_length_b [9.9847]
_cell_length_c [8.2326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLiTlF5]
_chemical_formula_sum '[K4 Li4 Tl4 F20]'
_cell_volume [548.7071]
_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
[
  K  K0  4  0.0000  0.3431  0.7500  1.0
  Li  Li1  4  0.0000  0.3102  0.2500  1.0
  Tl  Tl2  4  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0999  0.1977  0.1156  1.0
  F  F4  8  0.1901  0.4340  0.4097  1.0
  F  F5  4  0.0000  0.0839  0.7500  1.0
]