data_image0
_chemical_formula_structural       Br2Ti3Br3S2TiBr3
_chemical_formula_sum              "Br8 Ti4 S2"
_cell_length_a       23.088295840453608
_cell_length_b       20.05986934803845
_cell_length_c       5.957028613283923
_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
  Br  Br1       1.0  0.6514419162236882  0.5523189053302132  0.9979306201217852  1.0000
  Br  Br2       1.0  0.5767943915033676  0.605679551761157  0.4978775435425401  1.0000
  Ti  Ti1       1.0  0.5708299267839023  0.5011170065738723  0.24777829206485205  1.0000
  Ti  Ti2       1.0  0.42701593382058395  0.5006383114384  0.7476193135505217  1.0000
  Ti  Ti3       1.0  0.5708944573849748  0.5011040518163565  0.7478859732234754  1.0000
  Br  Br3       1.0  0.6518765935020812  0.4508678298547135  0.4976974129828386  1.0000
  Br  Br4       1.0  0.34620073441752286  0.5512830473026188  0.9977906113977748  1.0000
  Br  Br5       1.0  0.5774270258024461  0.39659798962248455  0.9978614679868735  1.0000
  S   S1        1.0  0.49907763267918115  0.4507050952982644  0.49780286290976955  1.0000
  S   S2        1.0  0.4988160902088366  0.5509988053824681  0.9977959610467443  1.0000
  Ti  Ti4       1.0  0.42705200648524444  0.5006098929251829  0.24788788958536143  1.0000
  Br  Br6       1.0  0.34621745152002276  0.44989474892929127  0.4977530819215724  1.0000
  Br  Br7       1.0  0.42087911812854994  0.39604935260443047  0.9976689361054727  1.0000
  Br  Br8       1.0  0.4206228184694598  0.6051491907928522  0.4977054985583151  1.0000