data_image0
_chemical_formula_structural       NbO2
_chemical_formula_sum              "Nb1 O2"
_cell_length_a       3.114010590438346
_cell_length_b       3.1140105904383457
_cell_length_c       17.17617052436032
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  Nb1       1.0  0.0  6.618701900241053e-44  0.5000000022018785  1.0000
  O   O1        1.0  0.66666666888339  0.33333333469625276  0.5601592937351397  1.0000
  O   O2        1.0  0.3333333328422119  0.6666666656844238  0.4398407129974251  1.0000