data_[Na4Nb2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.1220]
_cell_length_b [5.1220]
_cell_length_c [10.4634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Na2NbF6]
_chemical_formula_sum '[Na4 Nb2 F12]'
_cell_volume [274.5123]
_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
[
  Na  Na0  4  0.0000  0.0000  0.3324  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1855  0.8145  0.1472  1.0
  F  F3  4  0.2274  0.7726  0.5000  1.0
]