data_image0
_chemical_formula_structural       TaS2TaS2TaS2TaS2TaS2TaS2Ta3
_chemical_formula_sum              "Ta9 S12"
_cell_length_a       5.685010402316026
_cell_length_b       5.68461349004038
_cell_length_c       24.852453786591262
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99883010794052

_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
  Ta  Ta1       1.0  0.6664406229558137  0.3328756988717982  0.3647138845054549  1.0000
  S   S1        1.0  0.3334051597446852  0.3333194696627248  0.43333509730980674  1.0000
  S   S2        1.0  0.666642652158974  0.6666093858296269  0.3013649020058101  1.0000
  Ta  Ta2       1.0  0.6668536302070636  0.33429966965730723  0.6353716419953482  1.0000
  S   S3        1.0  0.3331122616808049  0.33298507744764644  0.6987575777877296  1.0000
  S   S4        1.0  0.6666523696036399  0.6666686968866321  0.5666978404200355  1.0000
  Ta  Ta3       1.0  0.00024246239343128601  0.00037888141077029275  0.3647131501715273  1.0000
  S   S5        1.0  0.6667487841013242  0.9999656866423821  0.4333340704494324  1.0000
  S   S6        1.0  0.9999044810690257  0.33332162593470716  0.3012948063116401  1.0000
  Ta  Ta4       1.0  0.9990416488358507  0.9990481965125891  0.6353618445724422  1.0000
  S   S7        1.0  0.6667085935617634  0.00021176743419155992  0.6987741077450339  1.0000
  S   S8        1.0  2.278279659385301e-05  0.33336776901837184  0.5667363907381741  1.0000
  Ta  Ta5       1.0  0.3332626953712976  0.6665786910647533  0.3647127067545474  1.0000
  S   S9        1.0  5.5224417242053454e-05  0.6666423168904259  0.43332110030158427  1.0000
  S   S10       1.0  0.3331933480785789  0.9998785316777457  0.30129718756543933  1.0000
  Ta  Ta6       1.0  0.33417453200151015  0.6666104353673977  0.6353735625300532  1.0000
  S   S11       1.0  0.00032828529560570944  0.6666689178473099  0.6987853199175781  1.0000
  S   S12       1.0  0.3333719075828817  3.326157024687916e-05  0.5667482225678406  1.0000
  Ta  Ta7       1.0  0.6666735689370682  0.333545339007693  0.5000194269229314  1.0000
  Ta  Ta8       1.0  0.9998480252394019  0.9998213464579748  0.5000243153738282  1.0000
  Ta  Ta9       1.0  0.3336575923528029  0.6666748115323856  0.500019471988904  1.0000