data_image0
_chemical_formula_structural       Cl4TiCl2TiH
_chemical_formula_sum              "Cl6 Ti2 H1"
_cell_length_a       19.495880759679295
_cell_length_b       19.892853390846533
_cell_length_c       5.750016570153374
_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
  Cl  Cl1       1.0  0.4216719911391717  0.44772325464971746  0.5025123738421435  1.0000
  Cl  Cl2       1.0  0.4195853432898258  0.5421688460046036  0.002576299459514349  1.0000
  Cl  Cl3       1.0  0.4648141752878464  0.6012771384644878  0.5025188217648395  1.0000
  Cl  Cl4       1.0  0.5826877436730508  0.4262320504145864  0.5023614451440529  1.0000
  Ti  Ti1       1.0  0.5086862357342333  0.5040173771235744  0.7349420124208027  1.0000
  Cl  Cl5       1.0  0.5905284409442144  0.5567904562233237  0.002756026490806549  1.0000
  Cl  Cl6       1.0  0.5093969995261302  0.40875763998831216  0.002603850730774497  1.0000
  Ti  Ti2       1.0  0.5088069610018305  0.5040999106820827  0.2705724708408228  1.0000
  H   H1        1.0  0.5615002559111875  0.5380618203408067  0.5030636299919117  1.0000