data_image0
_chemical_formula_structural       Nb6S8
_chemical_formula_sum              "Nb6 S8"
_cell_length_a       9.629013000140409
_cell_length_b       9.629168363354804
_cell_length_c       3.390986
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00008830548057

_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  0.4855252999  0.1142680408  0.2500010321  1.0000
  Nb  Nb2       1.0  0.8857257886  0.37125679260000005  0.2500010321  1.0000
  Nb  Nb3       1.0  0.6287399265  0.5144704898  0.2500010321  1.0000
  Nb  Nb4       1.0  0.37125990970000006  0.4855293902999999  0.7500001474  1.0000
  Nb  Nb5       1.0  0.1142740476  0.6287430875  0.7500001474  1.0000
  Nb  Nb6       1.0  0.5144745363000001  0.8857318393000001  0.7500001474  1.0000
  S   S1        1.0  0.7131158467000001  0.057804289700000004  0.2500010321  1.0000
  S   S2        1.0  0.3446866210000001  0.28688483470000004  0.2500010321  1.0000
  S   S3        1.0  0.9421971768  0.6553109954000002  0.2500010321  1.0000
  S   S4        1.0  0.33338614310000003  0.6666932885  0.2500010321  1.0000
  S   S5        1.0  0.6666136931000001  0.3333065916  0.7500001474  1.0000
  S   S6        1.0  0.057802659400000005  0.3446888846  0.7500001474  1.0000
  S   S7        1.0  0.6553132152000001  0.7131150453000001  0.7500001474  1.0000
  S   S8        1.0  0.2868839894000001  0.9421955903000001  0.7500001474  1.0000