data_image0
_chemical_formula_structural       NbCl2NbCl2O2
_chemical_formula_sum              "Nb2 Cl4 O2"
_cell_length_a       3.941542141410553
_cell_length_b       6.739463240013326
_cell_length_c       34.04541584744468
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    89.99994275815617

_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  0.5449440925113842  0.5549175536040666  0.5000152480521897  1.0000
  Cl  Cl1       1.0  0.4842651744044215  0.2746012945457281  0.4508696480249372  1.0000
  Cl  Cl2       1.0  0.4937325691506057  0.7744473522886238  0.4429219709804722  1.0000
  Nb  Nb2       1.0  0.5449424470418706  0.9942040271063232  0.4999847534914931  1.0000
  Cl  Cl3       1.0  0.4842651947716765  0.2745206085948336  0.5491303555748227  1.0000
  Cl  Cl4       1.0  0.4937325765625936  0.7746749638869598  0.5570780305632105  1.0000
  O   O1        1.0  0.994737757507175  0.5479298022102208  0.5000351088758327  1.0000
  O   O2        1.0  0.9947356127696435  0.0011932597331260014  0.49996488943687173  1.0000