# generated using pymatgen
data_NbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27443624
_cell_length_b   5.27443710
_cell_length_c   5.27443726
_cell_angle_alpha   134.81883896
_cell_angle_beta   134.81883257
_cell_angle_gamma   65.81182258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbO2
_chemical_formula_sum   'Nb2 O4'
_cell_volume   72.71585744
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.75000000  0.25000000  0.50000000  1.0
  O  O2  1  0.50524674  0.00524674  0.50000000  1.0
  O  O3  1  0.24475326  0.24475326  -0.00000000  1.0
  O  O4  1  0.99475326  0.49475326  0.50000000  1.0
  O  O5  1  0.75524674  0.75524674  0.00000000  1.0