data_[K6Nb2F12]
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 [C2/m]
_cell_length_a [11.1488]
_cell_length_b [6.2417]
_cell_length_c [6.5982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3NbF6]
_chemical_formula_sum '[K6 Nb2 F12]'
_cell_volume [373.4105]
_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  0.2429  0.5000  0.2229  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Nb  Nb2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0698  0.2230  0.8466  1.0
  F  F4  4  0.2145  0.0000  0.3296  1.0
]