data_image0
_chemical_formula_structural       Br3Ti2Br3H
_chemical_formula_sum              "Br6 Ti2 H1"
_cell_length_a       20.46960845140505
_cell_length_b       20.399092709338877
_cell_length_c       6.029469987835609
_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  0.6020530653436563  0.44712202824078534  0.4998437205363358  1.0000
  Br  Br2       1.0  0.5300371889309169  0.40942364023075073  0.9997401152915405  1.0000
  Br  Br3       1.0  0.4320555828068737  0.42740899418050077  0.4997842394219419  1.0000
  Ti  Ti1       1.0  0.5059403703029078  0.5059224671619151  0.7234961890812941  1.0000
  Ti  Ti2       1.0  0.5059167225568769  0.5058979023637055  0.27592537626689995  1.0000
  Br  Br4       1.0  0.40856138337146863  0.5245392700613271  0.9997217462017933  1.0000
  Br  Br5       1.0  0.44186261235771157  0.5988285270538488  0.4998189154531973  1.0000
  Br  Br6       1.0  0.5739709830087256  0.5783105498815663  0.9997627608468839  1.0000
  H   H1        1.0  0.5458431529949647  0.548400987666136  0.4994559642795  1.0000