data_[K2Tl1H1F6]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0268]
_cell_length_b [6.4116]
_cell_length_c [6.4511]
_cell_angle_alpha [113.5577]
_cell_angle_beta [100.5375]
_cell_angle_gamma [106.1666]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2TlHF6]
_chemical_formula_sum '[K2 Tl1 H1 F6]'
_cell_volume [172.5318]
_cell_formula_units_Z [1]
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  2  0.4478  0.2911  0.6799  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  H  H2  1  0.0000  0.5000  0.5000  1.0
  F  F3  2  0.0954  0.3818  0.3694  1.0
  F  F4  2  0.1250  0.8796  0.2605  1.0
  F  F5  2  0.4336  0.2297  0.0663  1.0
]