data_[K2Na4Tl6F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  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 [16.7619]
_cell_length_b [3.6816]
_cell_length_c [7.6576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNa2Tl3F6]
_chemical_formula_sum '[K2 Na4 Tl6 F12]'
_cell_volume [454.8926]
_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  2  0.0000  0.5000  0.0000  1
  Na  Na1  4  0.1699  0.0000  0.3380  1
  Tl  Tl2  4  0.1726  0.0000  0.8122  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  F  F4  4  0.0265  0.0000  0.2588  1
  F  F5  4  0.1740  0.5000  0.1303  1
  F  F6  4  0.1827  0.5000  0.5663  1
]