data_[Nb4O8]
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 [P2/c]
_cell_length_a [4.8552]
_cell_length_b [5.8111]
_cell_length_c [5.1492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NbO2]
_chemical_formula_sum '[Nb4 O8]'
_cell_volume [144.9959]
_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  2  0.0000  0.1284  0.7500  1.0
  Nb  Nb1  2  0.5000  0.3437  0.2500  1.0
  O  O2  4  0.2427  0.1436  0.4246  1.0
  O  O3  4  0.2706  0.3755  0.9009  1.0
]