data_image0
_chemical_formula_structural       NbSe2NbSe2NbSe2NbSe2NbSe2NbSe2Nb3
_chemical_formula_sum              "Nb9 Se12"
_cell_length_a       5.939523236263232
_cell_length_b       5.939701258931492
_cell_length_c       25.33824346455767
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    60.001347048838426

_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  1.4859641575453957e-05  0.9999753834132923  0.36217139056368286  1.0000
  Se  Se1       1.0  1.5120395873379248e-05  0.33328790961674853  0.4303995703275313  1.0000
  Se  Se2       1.0  3.632982723358374e-05  0.3333154848753484  0.29524972993744963  1.0000
  Nb  Nb2       1.0  1.9193755563845787e-05  0.9999638719127758  0.637820967448113  1.0000
  Se  Se3       1.0  0.6666696281357983  0.3333064826704093  0.5696014690279538  1.0000
  Se  Se4       1.0  0.6667206295710956  0.33327291076084686  0.7047529397599359  1.0000
  Nb  Nb3       1.0  0.3333544196732983  0.33330581148483707  0.3621779881007313  1.0000
  Se  Se5       1.0  0.3333335639277321  0.6666496037085873  0.4303975429573203  1.0000
  Se  Se6       1.0  0.33336087973463197  0.6666312000230118  0.29524929304844366  1.0000
  Nb  Nb4       1.0  0.33337186236007776  0.33328163297529667  0.6378274967089211  1.0000
  Se  Se7       1.0  2.5586769573913945e-05  0.6666027248846254  0.5696021880991091  1.0000
  Se  Se8       1.0  4.086557805275356e-05  0.666636969390777  0.7047491806201149  1.0000
  Nb  Nb5       1.0  0.6666878154061077  0.6666288769558435  0.3621753454550367  1.0000
  Se  Se9       1.0  0.6666948091335213  0.9999554900147403  0.43039798418759007  1.0000
  Se  Se10      1.0  0.6666722332469524  0.9999752932192615  0.2952509561471529  1.0000
  Nb  Nb6       1.0  0.6666999326944661  0.666616616049091  0.6378283128665222  1.0000
  Se  Se11      1.0  0.3333658148133199  0.999947855448598  0.5696026443264721  1.0000
  Se  Se12      1.0  0.3333510445012018  0.9999594702546206  0.7047494947697526  1.0000
  Nb  Nb7       1.0  6.320365358749723e-06  0.999962804184485  0.5000035273842597  1.0000
  Nb  Nb8       1.0  0.3333622295904512  0.33328314909786766  0.49999828945211233  1.0000
  Nb  Nb9       1.0  0.6666731897860928  0.6666259493570545  0.4999986777978954  1.0000