data_image0
_chemical_formula_structural       NbO2NbO2
_chemical_formula_sum              "Nb2 O4"
_cell_length_a       3.083369623282981
_cell_length_b       5.309613490232008
_cell_length_c       17.17617052436032
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  1.371530148992696e-18  0.020231677917351778  0.5028865385185554  1.0000
  O   O1        1.0  0.499999999467631  0.14364887790856362  0.5684242466126547  1.0000
  O   O2        1.0  1.3065636031526995e-18  0.35635141305122076  0.43157617115448793  1.0000
  Nb  Nb2       1.0  0.499999999467631  0.4797697901525954  0.49711354622907106  1.0000
  O   O3        1.0  0.999999998935262  0.6632123800495561  0.5548261072795161  1.0000
  O   O4        1.0  0.499999999467631  0.8367879221667901  0.44517349191168265  1.0000