data_[K4Na2Ti2F12]
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
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0007]
_cell_length_b [6.0108]
_cell_length_c [10.4148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NaTiF6]
_chemical_formula_sum '[K4 Na2 Ti2 F12]'
_cell_volume [307.2007]
_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  0.2477  0.5205  0.7503  1
  Na  Na1  2  0.5000  0.0000  0.0000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.1789  0.7385  0.4772  1
  F  F4  4  0.2416  0.2035  0.4803  1
  F  F5  4  0.2738  0.5029  0.2324  1
]