data_image0
_chemical_formula_structural       NbS2NbS2NbS2NbS2NbS2NbS2Nb
_chemical_formula_sum              "Nb7 S12"
_cell_length_a       5.822670191038952
_cell_length_b       5.822464830260157
_cell_length_c       27.245434326578152
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99369406476964

_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  0.6667404881645077  0.33957627294036763  0.3911331532565955  1.0000
  S   S1        1.0  0.3156745342046237  0.3156163850994066  0.4476320220780173  1.0000
  S   S2        1.0  0.33253888923529396  0.33248202804659194  0.33338545794952623  1.0000
  Nb  Nb2       1.0  0.6666622084807095  0.66666308665009  0.610261191313819  1.0000
  S   S3        1.0  0.6666579927954965  0.3324727616643601  0.6671612176234639  1.0000
  S   S4        1.0  0.6666605315386798  0.33330650827231056  0.5527759601654886  1.0000
  Nb  Nb3       1.0  0.9938450758695128  0.9937869263845741  0.3911325876572435  1.0000
  S   S5        1.0  0.6667403860064812  0.017742414961834145  0.44763277229545756  1.0000
  S   S6        1.0  0.6667401384579662  0.0008850455185935004  0.33338568624465736  1.0000
  Nb  Nb4       1.0  0.9999975178004011  0.33333204971310587  0.6104328861359285  1.0000
  S   S7        1.0  0.0008454039653200203  0.0008506597070834464  0.6671613035094135  1.0000
  S   S8        1.0  2.188355475197816e-05  2.3986948610809997e-05  0.552776790029301  1.0000
  Nb  Nb5       1.0  0.3396304747743135  0.6666832672932511  0.39113578672534993  1.0000
  S   S9        1.0  0.017775188668311317  0.666682578989077  0.4476351778361149  1.0000
  S   S10       1.0  0.0009504023579645422  0.6666833762443832  0.3333864320576899  1.0000
  Nb  Nb6       1.0  0.33332845069496947  0.9999932951741973  0.6104328615446524  1.0000
  S   S11       1.0  0.33246471994119875  0.6666625257227625  0.6671605602656188  1.0000
  S   S12       1.0  0.3333121707783552  0.6666633440495148  0.5527741224263871  1.0000
  Nb  Nb7       1.0  0.6666999332142982  0.6666739612430592  0.4927859401713652  1.0000