data_image0
_chemical_formula_structural       O6Ti6O12Ti6O12Ti6O12Ti6O12Ti6O12Ti6O7H2OHOHOHOHOH6
_chemical_formula_sum              "O78 Ti36 H12"
_cell_length_a       10.299
_cell_length_b       35
_cell_length_c       11.355
_cell_angle_alpha    90
_cell_angle_beta     90
_cell_angle_gamma    90

_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
  O   O1        1.0  0.91931  0.33945  0.08874  1.0000
  O   O2        1.0  0.91931  0.33945  0.75539  1.0000
  O   O3        1.0  0.91931  0.33945  0.42205  1.0000
  O   O4        1.0  0.41936  0.33945  0.92202  1.0000
  O   O5        1.0  0.41936  0.33945  0.58869  1.0000
  O   O6        1.0  0.41936  0.33945  0.25535  1.0000
  Ti  Ti1       1.0  0.73890  0.36044  0.08874  1.0000
  Ti  Ti2       1.0  0.73890  0.36044  0.75539  1.0000
  Ti  Ti3       1.0  0.73890  0.36044  0.42205  1.0000
  Ti  Ti4       1.0  0.23896  0.36046  0.92202  1.0000
  Ti  Ti5       1.0  0.23896  0.36046  0.58869  1.0000
  Ti  Ti6       1.0  0.23896  0.36046  0.25535  1.0000
  O   O7        1.0  0.70327  0.36457  0.92202  1.0000
  O   O8        1.0  0.70327  0.36457  0.58869  1.0000
  O   O9        1.0  0.70327  0.36457  0.25535  1.0000
  O   O10       1.0  0.20312  0.36463  0.08874  1.0000
  O   O11       1.0  0.20312  0.36463  0.75539  1.0000
  O   O12       1.0  0.20312  0.36463  0.42205  1.0000
  O   O13       1.0  0.55850  0.38143  0.08874  1.0000
  O   O14       1.0  0.55850  0.38143  0.75539  1.0000
  O   O15       1.0  0.55850  0.38143  0.42205  1.0000
  O   O16       1.0  0.05846  0.38143  0.92202  1.0000
  O   O17       1.0  0.05846  0.38143  0.58869  1.0000
  O   O18       1.0  0.05846  0.38143  0.25535  1.0000
  Ti  Ti7       1.0  0.52277  0.38558  0.92202  1.0000
  Ti  Ti8       1.0  0.52277  0.38558  0.58869  1.0000
  Ti  Ti9       1.0  0.52277  0.38558  0.25535  1.0000
  Ti  Ti10      1.0  0.02263  0.38560  0.08874  1.0000
  Ti  Ti11      1.0  0.02263  0.38560  0.75539  1.0000
  Ti  Ti12      1.0  0.02263  0.38560  0.42205  1.0000
  O   O19       1.0  0.34227  0.40654  0.92202  1.0000
  O   O20       1.0  0.34227  0.40654  0.58869  1.0000
  O   O21       1.0  0.34227  0.40654  0.25535  1.0000
  O   O22       1.0  0.84213  0.40660  0.08874  1.0000
  O   O23       1.0  0.84213  0.40660  0.75539  1.0000
  O   O24       1.0  0.84213  0.40660  0.42205  1.0000
  O   O25       1.0  0.05046  0.44158  0.08894  1.0000
  O   O26       1.0  0.05024  0.44181  0.75467  1.0000
  O   O27       1.0  0.05044  0.44179  0.42092  1.0000
  O   O28       1.0  0.55060  0.44150  0.92380  1.0000
  O   O29       1.0  0.55021  0.44159  0.58982  1.0000
  O   O30       1.0  0.55035  0.44161  0.25549  1.0000
  Ti  Ti13      1.0  0.87253  0.46152  0.08991  1.0000
  Ti  Ti14      1.0  0.87232  0.46170  0.75656  1.0000
  Ti  Ti15      1.0  0.87248  0.46172  0.42314  1.0000
  Ti  Ti16      1.0  0.37089  0.46166  0.92146  1.0000
  Ti  Ti17      1.0  0.37242  0.46157  0.58820  1.0000
  Ti  Ti18      1.0  0.37230  0.46151  0.25518  1.0000
  O   O31       1.0  0.83290  0.46513  0.92331  1.0000
  O   O32       1.0  0.83426  0.46560  0.58996  1.0000
  O   O33       1.0  0.83364  0.46546  0.25617  1.0000
  O   O34       1.0  0.33303  0.46510  0.08845  1.0000
  O   O35       1.0  0.33279  0.46520  0.75468  1.0000
  O   O36       1.0  0.33292  0.46527  0.42163  1.0000
  O   O37       1.0  0.69241  0.48468  0.08998  1.0000
  O   O38       1.0  0.69167  0.48378  0.75660  1.0000
  O   O39       1.0  0.69169  0.48349  0.42355  1.0000
  O   O40       1.0  0.19245  0.48435  0.92093  1.0000
  O   O41       1.0  0.19164  0.48428  0.58790  1.0000
  O   O42       1.0  0.19231  0.48459  0.25498  1.0000
  Ti  Ti19      1.0  0.65504  0.48760  0.92318  1.0000
  Ti  Ti20      1.0  0.65608  0.48837  0.58972  1.0000
  Ti  Ti21      1.0  0.65610  0.48843  0.25649  1.0000
  Ti  Ti22      1.0  0.15665  0.48846  0.08854  1.0000
  Ti  Ti23      1.0  0.15555  0.48853  0.75448  1.0000
  Ti  Ti24      1.0  0.15556  0.48856  0.42162  1.0000
  O   O43       1.0  0.47132  0.50757  0.92111  1.0000
  O   O44       1.0  0.47184  0.50789  0.58831  1.0000
  O   O45       1.0  0.47152  0.50785  0.25486  1.0000
  O   O46       1.0  0.97266  0.50782  0.08881  1.0000
  O   O47       1.0  0.97128  0.50840  0.75974  1.0000
  O   O48       1.0  0.97128  0.50835  0.42372  1.0000
  O   O49       1.0  0.18153  0.54301  0.08517  1.0000
  O   O50       1.0  0.18006  0.54353  0.74986  1.0000
  O   O51       1.0  0.18054  0.54372  0.41977  1.0000
  O   O52       1.0  0.67886  0.54312  0.92323  1.0000
  O   O53       1.0  0.68117  0.54329  0.59133  1.0000
  O   O54       1.0  0.68014  0.54318  0.26304  1.0000
  Ti  Ti25      1.0  0.00233  0.56094  0.09040  1.0000
  Ti  Ti26      1.0  0.00269  0.56173  0.75422  1.0000
  Ti  Ti27      1.0  0.00453  0.56169  0.42167  1.0000
  Ti  Ti28      1.0  0.50089  0.56107  0.92326  1.0000
  Ti  Ti29      1.0  0.50502  0.56107  0.58958  1.0000
  Ti  Ti30      1.0  0.50363  0.56094  0.25754  1.0000
  O   O55       1.0  0.96695  0.56815  0.92155  1.0000
  O   O56       1.0  0.96571  0.56641  0.58842  1.0000
  O   O57       1.0  0.96736  0.56641  0.25593  1.0000
  O   O58       1.0  0.46663  0.56537  0.09022  1.0000
  O   O59       1.0  0.46361  0.56496  0.75601  1.0000
  O   O60       1.0  0.46476  0.56535  0.42437  1.0000
  O   O61       1.0  0.81791  0.57955  0.08871  1.0000
  O   O62       1.0  0.82260  0.58666  0.75490  1.0000
  O   O63       1.0  0.82701  0.58981  0.42021  1.0000
  O   O64       1.0  0.32276  0.58638  0.92399  1.0000
  O   O65       1.0  0.32482  0.58811  0.59063  1.0000
  O   O66       1.0  0.32458  0.58671  0.25746  1.0000
  Ti  Ti31      1.0  0.79126  0.58987  0.92469  1.0000
  Ti  Ti32      1.0  0.79520  0.59396  0.58853  1.0000
  Ti  Ti33      1.0  0.79361  0.59325  0.25442  1.0000
  Ti  Ti34      1.0  0.29366  0.59227  0.09520  1.0000
  Ti  Ti35      1.0  0.29369  0.59233  0.76036  1.0000
  Ti  Ti36      1.0  0.29427  0.59331  0.42819  1.0000
  O   O67       1.0  0.60189  0.61043  0.91173  1.0000
  O   O68       1.0  0.60685  0.61077  0.58524  1.0000
  O   O69       1.0  0.60602  0.61036  0.25400  1.0000
  O   O70       1.0  0.10629  0.61015  0.09422  1.0000
  O   O71       1.0  0.10623  0.61137  0.76049  1.0000
  O   O72       1.0  0.10795  0.61081  0.42536  1.0000
  O   O73       1.0  0.35730  0.64252  0.76553  1.0000
  H   H1        1.0  0.08202  0.63017  0.82019  1.0000
  H   H2        1.0  0.35683  0.65611  0.69028  1.0000
  O   O74       1.0  0.35546  0.64333  0.42511  1.0000
  H   H3        1.0  0.35609  0.65598  0.34831  1.0000
  O   O75       1.0  0.35490  0.64244  0.09450  1.0000
  H   H4        1.0  0.35927  0.65473  0.01719  1.0000
  O   O76       1.0  0.83857  0.64201  0.94525  1.0000
  H   H5        1.0  0.77040  0.66071  0.93034  1.0000
  O   O77       1.0  0.84938  0.64166  0.21567  1.0000
  H   H6        1.0  0.84658  0.64758  0.13044  1.0000
  O   O78       1.0  0.85603  0.64365  0.59179  1.0000
  H   H7        1.0  0.87559  0.65398  0.66972  1.0000
  H   H8        1.0  0.07197  0.63388  0.46111  1.0000
  H   H9        1.0  0.07562  0.63144  0.14257  1.0000
  H   H10       1.0  0.57354  0.63185  0.20763  1.0000
  H   H11       1.0  0.57556  0.63177  0.53597  1.0000
  H   H12       1.0  0.56624  0.62700  0.84999  1.0000
