data_[Nb5O7]
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 [P6mm]
_cell_length_a [7.8801]
_cell_length_b [7.8801]
_cell_length_c [18.0707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Nb5O7]
_chemical_formula_sum '[Nb5 O7]'
_cell_volume [971.7699]
_cell_formula_units_Z [1]
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  3  0.0000  0.5000  0.5248  1
  Nb  Nb1  2  0.3333  0.6667  0.4456  1
  O  O2  6  0.2192  0.4384  0.5292  1
  O  O3  1  0.0000  0.0000  0.3593  1
]