data_[K4Tl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0745]
_cell_length_b [7.1167]
_cell_length_c [9.6400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2TlF6]
_chemical_formula_sum '[K4 Tl2 F12]'
_cell_volume [362.8248]
_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
[
  K  K0  4  0.2011  0.0773  0.7624  1.0
  Tl  Tl1  2  0.5000  0.0000  0.5000  1.0
  F  F2  4  0.1672  0.1523  0.4621  1.0
  F  F3  4  0.2788  0.7464  0.4257  1.0
  F  F4  4  0.3957  0.0673  0.2594  1.0
]