data_image0
_chemical_formula_structural       NbCl2NbCl2
_chemical_formula_sum              "Nb2 Cl4"
_cell_length_a       3.2948715393615164
_cell_length_b       5.917750303044831
_cell_length_c       18.503262906509057
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.00000000000001

_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  1.5242818124870836e-17  0.054647427401335984  0.5038972400452502  1.0000
  Cl  Cl1       1.0  0.4999999999999999  0.17807174773991594  0.5970257064658975  1.0000
  Cl  Cl2       1.0  3.8786899654843645e-16  0.3219281619921331  0.40297425226609085  1.0000
  Nb  Nb2       1.0  0.5  0.4453525179989716  0.49610272222702045  1.0000
  Cl  Cl3       1.0  0.9999999999999998  0.6752097561628627  0.5781940724108191  1.0000
  Cl  Cl4       1.0  0.5000000000000003  0.8247901492669047  0.42180588894444243  1.0000