data_image0
_chemical_formula_structural       Nb2S6Nb2S6
_chemical_formula_sum              "Nb4 S12"
_cell_length_a       3.3956555518686566
_cell_length_b       11.447531757464528
_cell_length_c       36.86178757304633
_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  0.5000000011973157  0.6737540609984107  0.5123630087817571  1.0000
  Nb  Nb2       1.0  0.5000000011973157  0.27303718794769066  0.5475390264241603  1.0000
  S   S1        1.0  2.6454794735343095e-17  0.8217600727655505  0.5328546240758651  1.0000
  S   S2        1.0  2.162200448893198e-17  0.6295178465262563  0.46249698217202007  1.0000
  S   S3        1.0  1.7879443282322532e-17  0.19686001818955712  0.5898119383634448  1.0000
  S   S4        1.0  2.3556972219248697e-17  0.6012659240287177  0.5580758073447906  1.0000
  S   S5        1.0  2.0927865348677067e-17  0.4073027364138717  0.5770603066345564  1.0000
  S   S6        1.0  0.5000000011973157  0.44691473659061853  0.5022819624064663  1.0000
  Nb  Nb3       1.0  1.2206937566720905e-17  0.001797926438297874  0.48763699927411025  1.0000
  Nb  Nb4       1.0  1.7739535873135896e-17  0.4025147357198129  0.4524609233057239  1.0000
  S   S7        1.0  0.5000000011973157  0.8537920170980827  0.46714534817056136  1.0000
  S   S8        1.0  0.5000000011973157  0.046033980177113555  0.5375030486716732  1.0000
  S   S9        1.0  0.5000000011973157  0.478692496871807  0.4101881366994821  1.0000
  S   S10       1.0  0.5000000011973157  0.07428601973045323  0.4419241456404973  1.0000
  S   S11       1.0  0.5000000011973157  0.2682490265202931  0.42293969789462343  1.0000
  S   S12       1.0  1.6087906357421335e-17  0.22863711282507093  0.49771801743590227  1.0000