data_[K4Li4Tl4F12]
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/m]
_cell_length_a [14.9122]
_cell_length_b [3.9796]
_cell_length_c [7.5496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KLiTlF3]
_chemical_formula_sum '[K4 Li4 Tl4 F12]'
_cell_volume [427.9936]
_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  0.1535  0.5000  0.5617  1.0
  Li  Li1  4  0.0186  0.0000  0.2516  1.0
  Tl  Tl2  4  0.1476  0.5000  0.0437  1.0
  F  F3  4  0.0179  0.5000  0.2046  1.0
  F  F4  4  0.1067  0.0000  0.7477  1.0
  F  F5  4  0.1557  0.0000  0.3207  1.0
]