data_image0
_chemical_formula_structural       NbS2NbS2NbS2NbS2NbS2NbS2Nb3
_chemical_formula_sum              "Nb9 S12"
_cell_length_a       5.713135610527885
_cell_length_b       5.712954319155141
_cell_length_c       27.245434326578152
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00200579576727

_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  0.6666632327170329  0.33330721765007254  0.37841001602028274  1.0000
  S   S1        1.0  0.33344380921310546  0.3333181860775123  0.4385451876736749  1.0000
  S   S2        1.0  0.3332183793013129  0.33319451186418547  0.3204131193270797  1.0000
  Nb  Nb2       1.0  0.6666870984135204  0.333374358912506  0.6215841115617468  1.0000
  S   S3        1.0  0.6666102232917928  0.6666560328308299  0.5614714886404701  1.0000
  S   S4        1.0  0.6667407855082308  0.6666708264397297  0.6796192113530367  1.0000
  Nb  Nb3       1.0  0.9999622623340038  0.9999702830182798  0.37842589464401155  1.0000
  S   S5        1.0  0.6667411658766417  5.738232007132458e-05  0.43853778680064853  1.0000
  S   S6        1.0  0.6665882907039813  0.999926139435329  0.3204099859580544  1.0000
  Nb  Nb4       1.0  0.9999992072136253  0.9999181711151885  0.6215990080025646  1.0000
  S   S7        1.0  2.8938000266409927e-05  0.33328981099094124  0.5614813244168717  1.0000
  S   S8        1.0  0.9999343024083898  0.3332359199788448  0.679581557337773  1.0000
  Nb  Nb5       1.0  0.333366560477125  0.6666095087217102  0.3784206717505795  1.0000
  S   S9        1.0  7.754153683087848e-05  0.6666394188453643  0.43852661648872204  1.0000
  S   S10       1.0  2.5478807986121595e-05  0.6667011569788996  0.3204222232377397  1.0000
  Nb  Nb6       1.0  0.33338540502623204  0.6666562063662409  0.6216051198522787  1.0000
  S   S11       1.0  0.3332752604291323  0.9999507859082639  0.5614854663952542  1.0000
  S   S12       1.0  0.3335100439232286  6.585328365478515e-05  0.6795974961550734  1.0000
  Nb  Nb7       1.0  0.3333528788264996  0.6667233371958441  0.5000051666165141  1.0000
  Nb  Nb8       1.0  0.9999947889553366  0.9999168440895752  0.5000036896718077  1.0000
  Nb  Nb9       1.0  0.6667515774378515  0.33332617392468467  0.5000161765345944  1.0000