# generated using pymatgen
data_NbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04045043
_cell_length_b   7.54400471
_cell_length_c   7.54320008
_cell_angle_alpha   80.77263263
_cell_angle_beta   66.40185113
_cell_angle_gamma   66.39344222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbO2
_chemical_formula_sum   'Nb8 O16'
_cell_volume   288.63310882
_cell_formula_units_Z   8
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  1  0.23362983  0.75353803  0.73003181  1.0
  Nb  Nb1  1  0.79078887  0.72979576  0.24656778  1.0
  Nb  Nb2  1  0.21379995  0.76997161  0.25341802  1.0
  Nb  Nb3  1  0.71723692  0.24652678  0.27007927  1.0
  Nb  Nb4  1  0.23728751  0.23008338  0.74652402  1.0
  Nb  Nb5  1  0.28763077  0.25325748  0.22994491  1.0
  Nb  Nb6  1  0.76731549  0.27012607  0.75348373  1.0
  Nb  Nb7  1  0.77070229  0.74661806  0.77003242  1.0
  O  O8  1  0.12904323  0.52578070  0.74447272  1.0
  O  O9  1  0.60548977  0.02565926  0.24442983  1.0
  O  O10  1  0.41143538  0.95013561  0.74593647  1.0
  O  O11  1  0.39939909  0.47420741  0.25547530  1.0
  O  O12  1  0.90494051  0.24447515  0.97429163  1.0
  O  O13  1  0.59707972  0.74599321  0.04998860  1.0
  O  O14  1  0.39304816  0.25411956  0.95001356  1.0
  O  O15  1  0.87542281  0.97435893  0.75549466  1.0
  O  O16  1  0.12370803  0.75537812  0.02574839  1.0
  O  O17  1  0.09976256  0.25552022  0.52572490  1.0
  O  O18  1  0.61158288  0.24599938  0.55000355  1.0
  O  O19  1  0.89716444  0.44998608  0.24594871  1.0
  O  O20  1  0.88093580  0.74452252  0.47427927  1.0
  O  O21  1  0.59305072  0.55003941  0.75403584  1.0
  O  O22  1  0.10764847  0.04987313  0.25399331  1.0
  O  O23  1  0.40749482  0.75403314  0.45007831  1.0