data_[Nb8O12]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4270]
_cell_length_b [5.3027]
_cell_length_c [5.2646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2O3]
_chemical_formula_sum '[Nb8 O12]'
_cell_volume [234.9399]
_cell_formula_units_Z [4]
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  8  0.0832  0.2098  0.0325  1.0
  O  O1  8  0.1795  0.1348  0.7401  1.0
  O  O2  4  0.0000  0.4502  0.2500  1.0
]