data_image0
_chemical_formula_structural       BrTi2Br5O2
_chemical_formula_sum              "Br6 Ti2 O2"
_cell_length_a       20.80888667818107
_cell_length_b       20.330866437426337
_cell_length_c       5.491729844809813
_cell_angle_alpha    89.99999999998784
_cell_angle_beta     90.00000000000013
_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  0.49261170008651767  0.652902952144158  0.5668026099031575  1.0000
  Ti  Ti1       1.0  0.47103701265229997  0.44160791257137005  0.28345110574126664  1.0000
  Ti  Ti2       1.0  0.52342427752387  0.5421304337428356  0.7899169317134672  1.0000
  Br  Br2       1.0  0.5642524502532826  0.3632553563081636  0.3551340736059849  1.0000
  Br  Br3       1.0  0.3624037195052658  0.45342998890361186  0.42067618200314966  1.0000
  Br  Br4       1.0  0.4451087335199773  0.33589682916300767  0.04665082268337017  1.0000
  Br  Br5       1.0  0.4939405196819478  0.6546185169748423  0.0649936520473539  1.0000
  Br  Br6       1.0  0.6354307720512784  0.5370417901070563  0.8532761198678798  1.0000
  O   O1        1.0  0.5081703083566308  0.49399001677386034  0.531418400586274  1.0000
  O   O2        1.0  0.48393631695314  0.4948005003644142  0.028322390845063605  1.0000