data_[Nb4O6F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2315]
_cell_length_b [5.7786]
_cell_length_c [6.9065]
_cell_angle_alpha [104.8009]
_cell_angle_beta [108.9658]
_cell_angle_gamma [91.5380]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nb2O3F2]
_chemical_formula_sum '[Nb4 O6 F4]'
_cell_volume [189.5216]
_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
[
  Nb  Nb0  2  0.0653  0.6749  0.1913  1.0
  Nb  Nb1  2  0.4293  0.8050  0.8218  1.0
  O  O2  2  0.1558  0.5097  0.7286  1.0
  O  O3  2  0.2499  0.3544  0.1025  1.0
  O  O4  2  0.3513  0.8500  0.0958  1.0
  F  F5  2  0.0765  0.9903  0.7194  1.0
  F  F6  2  0.3793  0.7554  0.4955  1.0
]