data_image0
_chemical_formula_structural       Nb6Se18
_chemical_formula_sum              "Nb6 Se18"
_cell_length_a       10.28432529932664
_cell_length_b       3.504211
_cell_length_c       15.749001266673547
_cell_angle_alpha    90.0
_cell_angle_beta     109.3563919283523
_cell_angle_gamma    90.0

_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  0.6529936802  0.24999921519999999  0.11744010879999998  1.0000
  Nb  Nb2       1.0  0.32309905149999996  0.7500004993999999  0.20791667389999996  1.0000
  Nb  Nb3       1.0  0.2969149258  0.24999921519999999  0.46191324589999994  1.0000
  Nb  Nb4       1.0  0.7030851220999998  0.7500004993999999  0.5380872257999999  1.0000
  Nb  Nb5       1.0  0.6769009965  0.24999921519999999  0.7920837977999999  1.0000
  Nb  Nb6       1.0  0.3470060217999999  0.7500004993999999  0.8825596898999999  1.0000
  Se  Se1       1.0  0.4454481339  0.7500004993999999  0.0679832989  1.0000
  Se  Se2       1.0  0.8269918156  0.7500004993999999  0.08362620729999999  1.0000
  Se  Se3       1.0  0.17322572659999996  0.24999921519999999  0.08895596629999998  1.0000
  Se  Se4       1.0  0.8010798876  0.7500004993999999  0.23755494909999997  1.0000
  Se  Se5       1.0  0.5296465288  0.24999921519999999  0.2489581706  1.0000
  Se  Se6       1.0  0.18651230239999994  0.24999921519999999  0.2765078798999999  1.0000
  Se  Se7       1.0  0.4445570901999999  0.7500004993999999  0.40580120129999997  1.0000
  Se  Se8       1.0  0.7489626245999998  0.24999921519999999  0.42269911149999995  1.0000
  Se  Se9       1.0  0.08994144149999997  0.7500004993999999  0.42516012049999996  1.0000
  Se  Se10      1.0  0.9100586064999998  0.24999921519999999  0.5748403511999999  1.0000
  Se  Se11      1.0  0.2510374234  0.7500004993999999  0.5773013602  1.0000
  Se  Se12      1.0  0.5554426117999999  0.24999921519999999  0.5941985973999999  1.0000
  Se  Se13      1.0  0.8134877455  0.7500004993999999  0.7234925918  1.0000
  Se  Se14      1.0  0.47035448999999996  0.7500004993999999  0.7510422981  1.0000
  Se  Se15      1.0  0.19891981449999993  0.24999921519999999  0.7624448495999999  1.0000
  Se  Se16      1.0  0.8267739754999998  0.7500004993999999  0.9110438323999999  1.0000
  Se  Se17      1.0  0.17300920319999985  0.24999921519999999  0.9163742613999998  1.0000
  Se  Se18      1.0  0.5545519141  0.24999921519999999  0.9320171727999998  1.0000