data_image0
_chemical_formula_structural       Ti12O20Ti8O21H2
_chemical_formula_sum              "Ti20 O41 H2"
_cell_length_a       7.568
_cell_length_b       7.568
_cell_length_c       27.0
_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
  Ti  Ti1       1.0  0.0  0.0  0.49258259999999987  1.0000
  Ti  Ti2       1.0  0.0  0.4999999999999999  0.49258259999999987  1.0000
  Ti  Ti3       1.0  0.4999999999999999  0.0  0.49258259999999987  1.0000
  Ti  Ti4       1.0  0.4999999999999999  0.4999999999999999  0.49258259999999987  1.0000
  Ti  Ti5       1.0  0.24999999999999994  0.24999999999999994  0.31639742  1.0000
  Ti  Ti6       1.0  0.24999999999999994  0.75  0.31639742  1.0000
  Ti  Ti7       1.0  0.75  0.24999999999999994  0.31639742  1.0000
  Ti  Ti8       1.0  0.75  0.75  0.31639742  1.0000
  Ti  Ti9       1.0  0.24999999999999994  0.0  0.40449001  1.0000
  Ti  Ti10      1.0  0.24999999999999994  0.4999999999999999  0.40449001  1.0000
  Ti  Ti11      1.0  0.75  0.0  0.40449001  1.0000
  Ti  Ti12      1.0  0.75  0.4999999999999999  0.40449001  1.0000
  O   O1        1.0  0.0  0.24999999999999994  0.3015626299999999  1.0000
  O   O2        1.0  0.0  0.75  0.3015626299999999  1.0000
  O   O3        1.0  0.4999999999999999  0.24999999999999994  0.3015626299999999  1.0000
  O   O4        1.0  0.4999999999999999  0.75  0.3015626299999999  1.0000
  O   O5        1.0  0.24999999999999994  0.24999999999999994  0.38965522  1.0000
  O   O6        1.0  0.24999999999999994  0.75  0.38965522  1.0000
  O   O7        1.0  0.75  0.24999999999999994  0.38965522  1.0000
  O   O8        1.0  0.75  0.75  0.38965522  1.0000
  O   O9        1.0  0.24999999999999994  0.0  0.47774781  1.0000
  O   O10       1.0  0.24999999999999994  0.4999999999999999  0.47774781  1.0000
  O   O11       1.0  0.75  0.0  0.47774781  1.0000
  O   O12       1.0  0.75  0.4999999999999999  0.47774781  1.0000
  O   O13       1.0  0.24999999999999994  0.0  0.33123221  1.0000
  O   O14       1.0  0.24999999999999994  0.4999999999999999  0.33123221  1.0000
  O   O15       1.0  0.75  0.0  0.33123221  1.0000
  O   O16       1.0  0.75  0.4999999999999999  0.33123221  1.0000
  O   O17       1.0  0.0  0.0  0.4193247999999999  1.0000
  O   O18       1.0  0.0  0.4999999999999999  0.4193247999999999  1.0000
  O   O19       1.0  0.4999999999999999  0.0  0.4193247999999999  1.0000
  O   O20       1.0  0.4999999999999999  0.4999999999999999  0.4193247999999999  1.0000
  Ti  Ti13      1.0  0.0  0.24999999999999994  0.5806752  1.0000
  Ti  Ti14      1.0  0.0  0.75  0.5806752  1.0000
  Ti  Ti15      1.0  0.4999999999999999  0.24999999999999994  0.5806752  1.0000
  Ti  Ti16      1.0  0.4999999999999999  0.75  0.5806752  1.0000
  Ti  Ti17      1.0  0.24999999999999994  0.24999999999999994  0.66876779  1.0000
  Ti  Ti18      1.0  0.24999999999999994  0.75  0.66876779  1.0000
  Ti  Ti19      1.0  0.75  0.24999999999999994  0.66876779  1.0000
  Ti  Ti20      1.0  0.75  0.75  0.66876779  1.0000
  O   O21       1.0  0.0  0.0  0.5658404  1.0000
  O   O22       1.0  0.0  0.4999999999999999  0.5658404  1.0000
  O   O23       1.0  0.4999999999999999  0.0  0.5658404  1.0000
  O   O24       1.0  0.4999999999999999  0.4999999999999999  0.5658404  1.0000
  O   O25       1.0  0.0  0.24999999999999994  0.653933  1.0000
  O   O26       1.0  0.0  0.75  0.653933  1.0000
  O   O27       1.0  0.4999999999999999  0.24999999999999994  0.653933  1.0000
  O   O28       1.0  0.4999999999999999  0.75  0.653933  1.0000
  O   O29       1.0  0.0  0.24999999999999994  0.5074174  1.0000
  O   O30       1.0  0.0  0.75  0.5074174  1.0000
  O   O31       1.0  0.4999999999999999  0.24999999999999994  0.5074174  1.0000
  O   O32       1.0  0.4999999999999999  0.75  0.5074174  1.0000
  O   O33       1.0  0.24999999999999994  0.24999999999999994  0.59550999  1.0000
  O   O34       1.0  0.24999999999999994  0.75  0.59550999  1.0000
  O   O35       1.0  0.75  0.24999999999999994  0.59550999  1.0000
  O   O36       1.0  0.75  0.75  0.59550999  1.0000
  O   O37       1.0  0.24999999999999994  0.0  0.6836025799999997  1.0000
  O   O38       1.0  0.24999999999999994  0.4999999999999999  0.6836025799999997  1.0000
  O   O39       1.0  0.75  0.0  0.6836025799999997  1.0000
  O   O40       1.0  0.75  0.4999999999999999  0.6836025799999997  1.0000
  O   O41       1.0  0.2642706131078224  0.2642706131078223  0.748239283950617  1.0000
  H   H1        1.0  0.2642706131078224  0.16341979386892197  0.7703248024691355  1.0000
  H   H2        1.0  0.2642706131078224  0.36512143234672273  0.7703248024691355  1.0000
