data_[Nb12F30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.0962]
_cell_length_b [8.0962]
_cell_length_c [8.0962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Nb2F5]
_chemical_formula_sum '[Nb12 F30]'
_cell_volume [530.6989]
_cell_formula_units_Z [6]
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  12  0.0000  0.0000  0.2430  1
  F  F1  24  0.0000  0.2568  0.7432  1
  F  F2  6  0.0000  0.0000  0.5000  1
]