# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.98511655
_cell_length_b   10.77099110
_cell_length_c   47.64090941
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   46.94906364
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti198
_cell_volume   7493.92777068
_cell_formula_units_Z   198
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  0.003763  0.662378  0.290545  1
  Ti  Ti2  1  0.641451  0.546281  0.295106  1
  Ti  Ti3  1  0.003763  0.162378  0.290545  1
  Ti  Ti4  1  0.394876  0.190235  0.278907  1
  Ti  Ti5  1  0.641451  0.046281  0.295106  1
  Ti  Ti6  1  0.394876  0.690235  0.278907  1
  Ti  Ti7  1  0.065165  0.336882  0.305047  1
  Ti  Ti8  1  0.795702  0.009226  0.286376  1
  Ti  Ti9  1  0.065165  0.836882  0.305047  1
  Ti  Ti10  1  0.431932  0.902133  0.295173  1
  Ti  Ti11  1  0.795702  0.509226  0.286376  1
  Ti  Ti12  1  0.431932  0.402133  0.295173  1
  Ti  Ti13  1  0.211163  0.320255  0.291754  1
  Ti  Ti14  1  0.853104  0.189952  0.298745  1
  Ti  Ti15  1  0.211163  0.820255  0.291754  1
  Ti  Ti16  1  0.587351  0.860492  0.282735  1
  Ti  Ti17  1  0.853104  0.689952  0.298745  1
  Ti  Ti18  1  0.587351  0.360492  0.282735  1
  Ti  Ti19  1  0.912832  0.913579  0.331163  1
  Ti  Ti20  1  0.555283  0.800625  0.339104  1
  Ti  Ti21  1  0.912832  0.413579  0.331163  1
  Ti  Ti22  1  0.265151  0.504030  0.308860  1
  Ti  Ti23  1  0.555283  0.300625  0.339104  1
  Ti  Ti24  1  0.265151  1.004030  0.308860  1
  Ti  Ti25  1  0.967972  0.601626  0.345900  1
  Ti  Ti26  1  0.706413  0.263039  0.327103  1
  Ti  Ti27  1  0.967972  0.101626  0.345900  1
  Ti  Ti28  1  0.337455  0.189746  0.333931  1
  Ti  Ti29  1  0.706413  0.763039  0.327103  1
  Ti  Ti30  1  0.337455  0.689746  0.333931  1
  Ti  Ti31  1  0.122005  0.552507  0.335108  1
  Ti  Ti32  1  0.761213  0.450724  0.341540  1
  Ti  Ti33  1  0.122005  0.052507  0.335108  1
  Ti  Ti34  1  0.500798  0.108134  0.324130  1
  Ti  Ti35  1  0.761213  0.950724  0.341540  1
  Ti  Ti36  1  0.500798  0.608134  0.324130  1
  Ti  Ti37  1  0.820969  0.163128  0.372725  1
  Ti  Ti38  1  0.454382  0.078763  0.381419  1
  Ti  Ti39  1  0.820969  0.663128  0.372725  1
  Ti  Ti40  1  0.183112  0.741825  0.352420  1
  Ti  Ti41  1  0.454382  0.578763  0.381419  1
  Ti  Ti42  1  0.183112  0.241825  0.352420  1
  Ti  Ti43  1  0.877615  0.851645  0.390823  1
  Ti  Ti44  1  0.614561  0.512056  0.368739  1
  Ti  Ti45  1  0.877615  0.351645  0.390823  1
  Ti  Ti46  1  0.244103  0.436668  0.378434  1
  Ti  Ti47  1  0.614561  0.012056  0.368739  1
  Ti  Ti48  1  0.244103  0.936668  0.378434  1
  Ti  Ti49  1  0.030982  0.808256  0.375535  1
  Ti  Ti50  1  0.669019  0.704318  0.387358  1
  Ti  Ti51  1  0.030982  0.308256  0.375535  1
  Ti  Ti52  1  0.387905  0.396240  0.356759  1
  Ti  Ti53  1  0.669019  0.204318  0.387358  1
  Ti  Ti54  1  0.387905  0.896240  0.356759  1
  Ti  Ti55  1  0.727551  0.410423  0.414570  1
  Ti  Ti56  1  0.358161  0.332998  0.425085  1
  Ti  Ti57  1  0.727551  0.910423  0.414570  1
  Ti  Ti58  1  0.084701  1.001270  0.395139  1
  Ti  Ti59  1  0.358161  0.832998  0.425085  1
  Ti  Ti60  1  0.084701  0.501270  0.395139  1
  Ti  Ti61  1  0.783747  0.104799  0.435260  1
  Ti  Ti62  1  0.506435  0.784387  0.405537  1
  Ti  Ti63  1  0.783747  0.604799  0.435260  1
  Ti  Ti64  1  0.147819  0.694244  0.420942  1
  Ti  Ti65  1  0.506435  0.284387  0.405537  1
  Ti  Ti66  1  0.147819  0.194244  0.420942  1
  Ti  Ti67  1  0.937053  0.053663  0.418438  1
  Ti  Ti68  1  0.570200  0.973153  0.429317  1
  Ti  Ti69  1  0.937053  0.553663  0.418438  1
  Ti  Ti70  1  0.298374  0.638353  0.400945  1
  Ti  Ti71  1  0.570200  0.473153  0.429317  1
  Ti  Ti72  1  0.298374  0.138353  0.400945  1
  Ti  Ti73  1  0.624838  0.675543  0.453392  1
  Ti  Ti74  1  0.263068  0.589744  0.467639  1
  Ti  Ti75  1  0.624838  0.175543  0.453392  1
  Ti  Ti76  1  0.993227  0.249395  0.439348  1
  Ti  Ti77  1  0.263068  0.089744  0.467639  1
  Ti  Ti78  1  0.993227  0.749395  0.439348  1
  Ti  Ti79  1  0.685996  0.367711  0.476934  1
  Ti  Ti80  1  0.414705  0.033781  0.448208  1
  Ti  Ti81  1  0.685996  0.867711  0.476934  1
  Ti  Ti82  1  0.054303  0.944454  0.464151  1
  Ti  Ti83  1  0.414705  0.533781  0.448208  1
  Ti  Ti84  1  0.054303  0.444454  0.464151  1
  Ti  Ti85  1  0.842505  0.305137  0.460206  1
  Ti  Ti86  1  0.472950  0.230449  0.471931  1
  Ti  Ti87  1  0.842505  0.805137  0.460206  1
  Ti  Ti88  1  0.202215  0.894470  0.443052  1
  Ti  Ti89  1  0.472950  0.730449  0.471931  1
  Ti  Ti90  1  0.202215  0.394470  0.443052  1
  Ti  Ti91  1  0.529801  0.930285  0.495136  1
  Ti  Ti92  1  0.169821  0.839934  0.511070  1
  Ti  Ti93  1  0.529801  0.430285  0.495136  1
  Ti  Ti94  1  0.899556  0.502643  0.482539  1
  Ti  Ti95  1  0.169821  0.339934  0.511070  1
  Ti  Ti96  1  0.899556  1.002643  0.482539  1
  Ti  Ti97  1  0.588640  0.626747  0.518844  1
  Ti  Ti98  1  0.318376  0.289456  0.490313  1
  Ti  Ti99  1  0.588640  0.126747  0.518844  1
  Ti  Ti100  1  0.958396  0.199105  0.506247  1
  Ti  Ti101  1  0.318376  0.789456  0.490313  1
  Ti  Ti102  1  0.958396  0.699105  0.506247  1
  Ti  Ti103  1  0.744098  0.564695  0.500692  1
  Ti  Ti104  1  0.378365  0.485500  0.514751  1
  Ti  Ti105  1  0.744098  0.064695  0.500692  1
  Ti  Ti106  1  0.109832  0.143890  0.486632  1
  Ti  Ti107  1  0.378365  0.985500  0.514751  1
  Ti  Ti108  1  0.109832  0.643890  0.486632  1
  Ti  Ti109  1  0.433894  0.184936  0.537232  1
  Ti  Ti110  1  0.073492  0.095609  0.553175  1
  Ti  Ti111  1  0.433894  0.684936  0.537232  1
  Ti  Ti112  1  0.802201  0.761679  0.524449  1
  Ti  Ti113  1  0.073492  0.595609  0.553175  1
  Ti  Ti114  1  0.802201  0.261679  0.524449  1
  Ti  Ti115  1  0.494970  0.879995  0.562035  1
  Ti  Ti116  1  0.225129  0.539646  0.533744  1
  Ti  Ti117  1  0.494970  0.379995  0.562035  1
  Ti  Ti118  1  0.863359  0.453846  0.547991  1
  Ti  Ti119  1  0.225129  0.039646  0.533744  1
  Ti  Ti120  1  0.863359  0.953846  0.547991  1
  Ti  Ti121  1  0.645692  0.824252  0.541177  1
  Ti  Ti122  1  0.285982  0.734920  0.558331  1
  Ti  Ti123  1  0.645692  0.324252  0.541177  1
  Ti  Ti124  1  0.015247  0.398941  0.529452  1
  Ti  Ti125  1  0.285982  0.234920  0.558331  1
  Ti  Ti126  1  0.015247  0.898941  0.529452  1
  Ti  Ti127  1  0.340378  0.435146  0.580441  1
  Ti  Ti128  1  0.981762  0.345003  0.595846  1
  Ti  Ti129  1  0.340378  0.935146  0.580441  1
  Ti  Ti130  1  0.704450  0.024590  0.566123  1
  Ti  Ti131  1  0.981762  0.845003  0.595846  1
  Ti  Ti132  1  0.704450  0.524590  0.566123  1
  Ti  Ti133  1  0.403496  0.128120  0.606244  1
  Ti  Ti134  1  0.130036  0.796391  0.576298  1
  Ti  Ti135  1  0.403496  0.628120  0.606244  1
  Ti  Ti136  1  0.760646  0.718966  0.586813  1
  Ti  Ti137  1  0.130036  0.296391  0.576298  1
  Ti  Ti138  1  0.760646  0.218966  0.586813  1
  Ti  Ti139  1  0.551144  0.075726  0.582945  1
  Ti  Ti140  1  0.189823  0.991036  0.600438  1
  Ti  Ti141  1  0.551144  0.575726  0.582945  1
  Ti  Ti142  1  0.917997  0.656237  0.572066  1
  Ti  Ti143  1  0.189823  0.491036  0.600438  1
  Ti  Ti144  1  0.917997  0.156237  0.572066  1
  Ti  Ti145  1  0.244094  0.692721  0.622949  1
  Ti  Ti146  1  0.873636  0.617334  0.632644  1
  Ti  Ti147  1  0.244094  0.192721  0.622949  1
  Ti  Ti148  1  0.610582  0.277744  0.610560  1
  Ti  Ti149  1  0.873636  0.117334  0.632644  1
  Ti  Ti150  1  0.610582  0.777744  0.610560  1
  Ti  Ti151  1  0.305085  0.387564  0.648963  1
  Ti  Ti152  1  0.033815  0.050627  0.619964  1
  Ti  Ti153  1  0.305085  0.887564  0.648963  1
  Ti  Ti154  1  0.667228  0.966262  0.628658  1
  Ti  Ti155  1  0.033815  0.550627  0.619964  1
  Ti  Ti156  1  0.667228  0.466262  0.628658  1
  Ti  Ti157  1  0.457215  0.321133  0.625848  1
  Ti  Ti158  1  0.100292  0.233150  0.644624  1
  Ti  Ti159  1  0.457215  0.821133  0.625848  1
  Ti  Ti160  1  0.819178  0.925071  0.614025  1
  Ti  Ti161  1  0.100292  0.733150  0.644624  1
  Ti  Ti162  1  0.819178  0.425071  0.614025  1
  Ti  Ti163  1  0.150742  0.939644  0.667452  1
  Ti  Ti164  1  0.781784  0.866350  0.674280  1
  Ti  Ti165  1  0.150742  0.439644  0.667452  1
  Ti  Ti166  1  0.520225  0.527764  0.655483  1
  Ti  Ti167  1  0.781784  0.366350  0.674280  1
  Ti  Ti168  1  0.520225  0.027764  0.655483  1
  Ti  Ti169  1  0.223046  0.625360  0.692523  1
  Ti  Ti170  1  0.932914  0.328765  0.662279  1
  Ti  Ti171  1  0.223046  0.125360  0.692523  1
  Ti  Ti172  1  0.575365  0.215810  0.670220  1
  Ti  Ti173  1  0.932914  0.828765  0.662279  1
  Ti  Ti174  1  0.575365  0.715810  0.670220  1
  Ti  Ti175  1  0.366192  0.576883  0.666275  1
  Ti  Ti176  1  0.987399  0.521256  0.677253  1
  Ti  Ti177  1  0.366192  0.076883  0.666275  1
  Ti  Ti178  1  0.726984  0.178665  0.659843  1
  Ti  Ti179  1  0.987399  0.021256  0.677253  1
  Ti  Ti180  1  0.726984  0.678665  0.659843  1
  Ti  Ti181  1  0.056265  0.227257  0.706210  1
  Ti  Ti182  1  0.692495  0.120164  0.715007  1
  Ti  Ti183  1  0.056265  0.727257  0.706210  1
  Ti  Ti184  1  0.423032  0.792507  0.696336  1
  Ti  Ti185  1  0.692495  0.620164  0.715007  1
  Ti  Ti186  1  0.423032  0.292507  0.696336  1
  Ti  Ti187  1  0.093321  0.939155  0.722476  1
  Ti  Ti188  1  0.846746  0.583109  0.706277  1
  Ti  Ti189  1  0.093321  0.439155  0.722476  1
  Ti  Ti190  1  0.484434  0.467011  0.710838  1
  Ti  Ti191  1  0.846746  0.083109  0.706277  1
  Ti  Ti192  1  0.484434  0.967011  0.710838  1
  Ti  Ti193  1  0.277034  0.809135  0.709629  1
  Ti  Ti194  1  0.900846  0.768898  0.718648  1
  Ti  Ti195  1  0.277034  0.309135  0.709629  1
  Ti  Ti196  1  0.635093  0.439437  0.702638  1
  Ti  Ti197  1  0.900846  0.268898  0.718648  1
  Ti  Ti198  1  0.635093  0.939437  0.702638  1
