data_image0
_chemical_formula_structural       NbClO3NbCl
_chemical_formula_sum              "Nb2 Cl2 O3"
_cell_length_a       5.62620756992205
_cell_length_b       3.9444255068548255
_cell_length_c       19.518751373357933
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    110.48153947799277

_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  0.8870572643445438  0.332921723590901  0.49695676136083633  1.0000
  Cl  Cl1       1.0  0.756348513930932  0.26700629782996765  0.3842473504049336  1.0000
  O   O1        1.0  0.595841752927145  0.18683748809923867  0.5638889740715951  1.0000
  O   O2        1.0  0.8935893519528235  0.8360477933091419  0.5075293518913084  1.0000
  O   O3        1.0  0.27613796696650356  0.5274446035794804  0.4672323939971454  1.0000
  Nb  Nb2       1.0  0.5081168631704187  0.6429531990023001  0.5323148189295788  1.0000
  Cl  Cl2       1.0  0.15658290974846134  0.4677936413689547  0.6157693876554708  1.0000