data_image0
_chemical_formula_structural       Nb2S6
_chemical_formula_sum              "Nb2 S6"
_cell_length_a       4.9439998290432365
_cell_length_b       3.350274022251591
_cell_length_c       20.89604693146761
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_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  0.6315932277457795  0.24999999833956937  0.5678426096053293  1.0000
  Nb  Nb2       1.0  0.13162804460006158  0.7499999980035386  0.43215763630397636  1.0000
  S   S1        1.0  0.13161654176794862  0.24999999833956937  0.5226206768110947  1.0000
  S   S2        1.0  0.6316039902866047  0.7499999980035386  0.4773797921068985  1.0000
  S   S3        1.0  0.35079693567376796  0.24999999833956937  0.3575621089723136  1.0000
  S   S4        1.0  0.4124237238079743  0.7499999980035386  0.6424380661101986  1.0000
  S   S5        1.0  0.912392130870316  0.24999999833956937  0.35755949843070356  1.0000
  S   S6        1.0  0.8508278105693303  0.7499999980035386  0.6424407752350482  1.0000