data_image0
_chemical_formula_structural       TiSiSe3SiIBrAlBrSe3Br2SeSiTi
_chemical_formula_sum              "Ti2 Si3 Se7 I1 Br4 Al1"
_cell_length_a       23.88316096388616
_cell_length_b       20.362614072407762
_cell_length_c       7.672021285092314
_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
  Ti  Ti1       1.0  0.39757716316008584  0.5154467861259608  0.9732108700996865  1.0000
  Si  Si1       1.0  0.6347125384037379  0.4920785890654702  0.07156732803885268  1.0000
  Se  Se1       1.0  0.5727212557838749  0.42165529033888766  0.489216021017481  1.0000
  Se  Se2       1.0  0.6941256069602862  0.5199288855079313  0.30022623501231405  1.0000
  Se  Se3       1.0  0.5594329936504584  0.5579926805481682  0.07123820282762797  1.0000
  Si  Si2       1.0  0.5001559312799081  0.4996300839497524  0.5376297484807941  1.0000
  I   I1        1.0  0.6985083503294047  0.5157715231317962  0.7912532163042215  1.0000
  Br  Br1       1.0  0.4053632961509893  0.6172289644855748  0.168225954422189  1.0000
  Al  Al1       1.0  0.5216841397206493  0.44947851776427156  0.02797964475309711  1.0000
  Br  Br2       1.0  0.30377128387354213  0.4839465765513737  0.9470158230735793  1.0000
  Se  Se4       1.0  0.4357568119969994  0.431623927562884  0.19166623215396877  1.0000
  Se  Se5       1.0  0.6069099860430205  0.38711990995742046  0.025707754248846637  1.0000
  Se  Se6       1.0  0.5609532994932717  0.590738941949474  0.5814544851654128  1.0000
  Br  Br3       1.0  0.31841682740311805  0.4742824906770882  0.455450546187891  1.0000
  Br  Br4       1.0  0.4049093514478436  0.5955107884841372  0.6863904037992202  1.0000
  Se  Se7       1.0  0.46044470913757884  0.44142069929101596  0.7787417975250689  1.0000
  Si  Si3       1.0  0.6250048020792339  0.5131530522164439  0.5110970925163913  1.0000
  Ti  Ti2       1.0  0.4048946018439967  0.524088437757043  0.38156713584818985  1.0000