data_image0
_chemical_formula_structural       Cl4TiCl2TiH2
_chemical_formula_sum              "Cl6 Ti2 H2"
_cell_length_a       19.495880759679295
_cell_length_b       19.892853390846533
_cell_length_c       5.726473683479422
_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  0.39978416156630386  0.4589962103116035  0.5000000000000003  1.0000
  Cl  Cl2       1.0  0.39559435210993915  0.5292709750786407  1.935852850221442e-17  1.0000
  Cl  Cl3       1.0  0.4940988560823162  0.5983016474591926  0.5000000000000003  1.0000
  Cl  Cl4       1.0  0.6044055169357595  0.4707281919277387  0.5000000000000003  1.0000
  Ti  Ti1       1.0  0.49999998743734053  0.4999999763781103  0.7500010651083017  1.0000
  Cl  Cl5       1.0  0.6002163992819219  0.5410029071894525  2.2656761505034518e-18  1.0000
  Cl  Cl6       1.0  0.5059012728563115  0.40169803075120086  0.0  1.0000
  Ti  Ti2       1.0  0.49999998743734053  0.4999999763781103  0.2499989348916962  1.0000
  H   H1        1.0  0.5035247953818972  0.4410657832692727  0.5000000000000003  1.0000
  H   H2        1.0  0.4964750948133897  0.5589347565234359  0.0  1.0000