data_image0
_chemical_formula_structural       NbONbO3IONbO2Nb
_chemical_formula_sum              "Nb4 O7 I1"
_cell_length_a       6.176155141919187
_cell_length_b       6.176170341729616
_cell_length_c       18.55297323466128
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.0031479661107

_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  0.5676881759781668  0.9225392764128608  0.47293177858994473  1.0000
  O   O1        1.0  0.7436311054818727  0.7467119156246999  0.4205193308544347  1.0000
  Nb  Nb2       1.0  0.07684758752434943  0.4132078046546543  0.4421671872341151  1.0000
  O   O2        1.0  0.9250200146634323  0.1096586350132752  0.5131837118275142  1.0000
  O   O3        1.0  0.7393386349817812  0.24427400193859083  0.4042645394425339  1.0000
  O   O4        1.0  0.38060683775566384  0.5650554405150714  0.5130958057016674  1.0000
  I   I1        1.0  0.41006297079449183  0.08016873263276375  0.5957502094246833  1.0000
  O   O5        1.0  0.9249739513276731  0.5650098638497634  0.5131268659523729  1.0000
  Nb  Nb3       1.0  0.09528095117360233  0.9224388983818808  0.472908447019607  1.0000
  O   O6        1.0  0.2454434262236138  0.24423892976004682  0.4042547345450816  1.0000
  O   O7        1.0  0.24557463216987815  0.7507575802029154  0.40430050672344137  1.0000
  Nb  Nb4       1.0  0.5675774229558478  0.39468996299086934  0.47286246517134956  1.0000