data_[K2Nb2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2/mcm]
_cell_length_a [5.3793]
_cell_length_b [5.3793]
_cell_length_c [10.0892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [132]
_chemical_formula_structural [KNbF6]
_chemical_formula_sum '[K2 Nb2 F12]'
_cell_volume [291.9507]
_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  0.5000  0.5000  0.2500  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1813  0.1813  0.1348  1.0
  F  F3  4  0.2552  0.2552  0.5000  1.0
]