# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08289316
_cell_length_b   15.37174694
_cell_length_c   46.05232794
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.21237099
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti168
_cell_volume   6740.19445945
_cell_formula_units_Z   168
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  0.122170  0.561511  0.296984  1
  Ti  Ti2  1  0.622170  0.561511  0.296984  1
  Ti  Ti3  1  0.536961  0.902664  0.288594  1
  Ti  Ti4  1  0.704377  0.220083  0.305810  1
  Ti  Ti5  1  0.036961  0.902664  0.288594  1
  Ti  Ti6  1  0.204377  0.220083  0.305810  1
  Ti  Ti7  1  0.025953  0.720034  0.305796  1
  Ti  Ti8  1  0.525953  0.720034  0.305796  1
  Ti  Ti9  1  0.449647  0.061426  0.296989  1
  Ti  Ti10  1  0.875894  0.402796  0.288569  1
  Ti  Ti11  1  0.949647  0.061426  0.296989  1
  Ti  Ti12  1  0.375894  0.402796  0.288569  1
  Ti  Ti13  1  0.860703  0.541455  0.327286  1
  Ti  Ti14  1  0.360703  0.541455  0.327286  1
  Ti  Ti15  1  0.277678  0.879198  0.316183  1
  Ti  Ti16  1  0.442859  0.201878  0.336989  1
  Ti  Ti17  1  0.777678  0.879198  0.316183  1
  Ti  Ti18  1  0.942859  0.201878  0.336989  1
  Ti  Ti19  1  0.769328  0.701914  0.336983  1
  Ti  Ti20  1  0.269328  0.701914  0.336983  1
  Ti  Ti21  1  0.191012  0.041468  0.327279  1
  Ti  Ti22  1  0.611618  0.379187  0.316143  1
  Ti  Ti23  1  0.691012  0.041468  0.327279  1
  Ti  Ti24  1  0.111618  0.379187  0.316143  1
  Ti  Ti25  1  0.600100  0.520013  0.358274  1
  Ti  Ti26  1  0.100100  0.520013  0.358274  1
  Ti  Ti27  1  0.019790  0.860371  0.348619  1
  Ti  Ti28  1  0.180509  0.180505  0.368654  1
  Ti  Ti29  1  0.519790  0.860371  0.348619  1
  Ti  Ti30  1  0.680509  0.180505  0.368654  1
  Ti  Ti31  1  0.510260  0.680507  0.368644  1
  Ti  Ti32  1  0.010260  0.680507  0.368644  1
  Ti  Ti33  1  0.930154  0.020000  0.358279  1
  Ti  Ti34  1  0.350791  0.360373  0.348595  1
  Ti  Ti35  1  0.430154  0.020000  0.358279  1
  Ti  Ti36  1  0.850791  0.360373  0.348595  1
  Ti  Ti37  1  0.340287  0.500537  0.389989  1
  Ti  Ti38  1  0.840287  0.500537  0.389989  1
  Ti  Ti39  1  0.759665  0.840468  0.379420  1
  Ti  Ti40  1  0.920423  0.160335  0.400146  1
  Ti  Ti41  1  0.259665  0.840468  0.379420  1
  Ti  Ti42  1  0.420423  0.160335  0.400146  1
  Ti  Ti43  1  0.250181  0.660323  0.400135  1
  Ti  Ti44  1  0.750181  0.660323  0.400135  1
  Ti  Ti45  1  0.670519  1.000534  0.389989  1
  Ti  Ti46  1  0.091022  0.340469  0.379394  1
  Ti  Ti47  1  0.170519  1.000534  0.389989  1
  Ti  Ti48  1  0.591022  0.340469  0.379394  1
  Ti  Ti49  1  0.080099  0.480161  0.421419  1
  Ti  Ti50  1  0.580099  0.480161  0.421419  1
  Ti  Ti51  1  0.499722  0.820017  0.411106  1
  Ti  Ti52  1  0.660123  0.140118  0.431907  1
  Ti  Ti53  1  0.999722  0.820017  0.411106  1
  Ti  Ti54  1  0.160123  0.140118  0.431907  1
  Ti  Ti55  1  0.990272  0.640122  0.431895  1
  Ti  Ti56  1  0.490272  0.640122  0.431895  1
  Ti  Ti57  1  0.410331  0.980165  0.421418  1
  Ti  Ti58  1  0.830538  0.320022  0.411085  1
  Ti  Ti59  1  0.910331  0.980165  0.421418  1
  Ti  Ti60  1  0.330538  0.320022  0.411085  1
  Ti  Ti61  1  0.819970  0.459913  0.453043  1
  Ti  Ti62  1  0.319970  0.459913  0.453043  1
  Ti  Ti63  1  0.239834  0.799906  0.442513  1
  Ti  Ti64  1  0.399962  0.119902  0.463449  1
  Ti  Ti65  1  0.739834  0.799906  0.442513  1
  Ti  Ti66  1  0.899962  0.119902  0.463449  1
  Ti  Ti67  1  0.730203  0.619894  0.463435  1
  Ti  Ti68  1  0.230203  0.619894  0.463435  1
  Ti  Ti69  1  0.150200  0.959911  0.453039  1
  Ti  Ti70  1  0.570326  0.299913  0.442494  1
  Ti  Ti71  1  0.650200  0.959911  0.453039  1
  Ti  Ti72  1  0.070326  0.299913  0.442494  1
  Ti  Ti73  1  0.559894  0.439716  0.484568  1
  Ti  Ti74  1  0.059894  0.439716  0.484568  1
  Ti  Ti75  1  0.979802  0.779730  0.474146  1
  Ti  Ti76  1  0.139825  0.099675  0.495088  1
  Ti  Ti77  1  0.479802  0.779730  0.474146  1
  Ti  Ti78  1  0.639825  0.099675  0.495088  1
  Ti  Ti79  1  0.470123  0.599664  0.495074  1
  Ti  Ti80  1  0.970123  0.599664  0.495074  1
  Ti  Ti81  1  0.890089  0.939703  0.484566  1
  Ti  Ti82  1  0.310174  0.279722  0.474131  1
  Ti  Ti83  1  0.390089  0.939703  0.484566  1
  Ti  Ti84  1  0.810174  0.279722  0.474131  1
  Ti  Ti85  1  0.299782  0.419502  0.516175  1
  Ti  Ti86  1  0.799782  0.419502  0.516175  1
  Ti  Ti87  1  0.719748  0.759542  0.505668  1
  Ti  Ti88  1  0.879697  0.079484  0.526610  1
  Ti  Ti89  1  0.219748  0.759542  0.505668  1
  Ti  Ti90  1  0.379697  0.079484  0.526610  1
  Ti  Ti91  1  0.210069  0.579475  0.526595  1
  Ti  Ti92  1  0.710069  0.579475  0.526595  1
  Ti  Ti93  1  0.629977  0.919490  0.516174  1
  Ti  Ti94  1  0.050046  0.259530  0.505654  1
  Ti  Ti95  1  0.129977  0.919490  0.516174  1
  Ti  Ti96  1  0.550046  0.259530  0.505654  1
  Ti  Ti97  1  0.039671  0.399294  0.547702  1
  Ti  Ti98  1  0.539671  0.399294  0.547702  1
  Ti  Ti99  1  0.459668  0.739312  0.537306  1
  Ti  Ti100  1  0.619544  0.059293  0.558247  1
  Ti  Ti101  1  0.959668  0.739312  0.537306  1
  Ti  Ti102  1  0.119544  0.059293  0.558247  1
  Ti  Ti103  1  0.950037  0.559300  0.558228  1
  Ti  Ti104  1  0.450037  0.559300  0.558228  1
  Ti  Ti105  1  0.369901  0.899293  0.547699  1
  Ti  Ti106  1  0.789908  0.239304  0.537292  1
  Ti  Ti107  1  0.869901  0.899293  0.547699  1
  Ti  Ti108  1  0.289908  0.239304  0.537292  1
  Ti  Ti109  1  0.779540  0.379041  0.579323  1
  Ti  Ti110  1  0.279540  0.379041  0.579323  1
  Ti  Ti111  1  0.199599  0.719084  0.568847  1
  Ti  Ti112  1  0.359333  0.039184  0.589656  1
  Ti  Ti113  1  0.699599  0.719084  0.568847  1
  Ti  Ti114  1  0.859333  0.039184  0.589656  1
  Ti  Ti115  1  0.690149  0.539188  0.589635  1
  Ti  Ti116  1  0.190149  0.539188  0.589635  1
  Ti  Ti117  1  0.109772  0.879045  0.579322  1
  Ti  Ti118  1  0.529748  0.219088  0.568834  1
  Ti  Ti119  1  0.609772  0.879045  0.579322  1
  Ti  Ti120  1  0.029748  0.219088  0.568834  1
  Ti  Ti121  1  0.519352  0.358672  0.610752  1
  Ti  Ti122  1  0.019352  0.358672  0.610752  1
  Ti  Ti123  1  0.939690  0.698883  0.600607  1
  Ti  Ti124  1  0.098849  0.018737  0.621347  1
  Ti  Ti125  1  0.439690  0.698883  0.600607  1
  Ti  Ti126  1  0.598849  0.018737  0.621347  1
  Ti  Ti127  1  0.430205  0.518737  0.621322  1
  Ti  Ti128  1  0.930205  0.518737  0.621322  1
  Ti  Ti129  1  0.849584  0.858668  0.610752  1
  Ti  Ti130  1  0.269448  0.198871  0.600595  1
  Ti  Ti131  1  0.349584  0.858668  0.610752  1
  Ti  Ti132  1  0.769448  0.198871  0.600595  1
  Ti  Ti133  1  0.259716  0.339205  0.642463  1
  Ti  Ti134  1  0.759716  0.339205  0.642463  1
  Ti  Ti135  1  0.679611  0.678699  0.632097  1
  Ti  Ti136  1  0.839080  0.998832  0.652146  1
  Ti  Ti137  1  0.179611  0.678699  0.632097  1
  Ti  Ti138  1  0.339080  0.998832  0.652146  1
  Ti  Ti139  1  0.170080  0.498835  0.652122  1
  Ti  Ti140  1  0.670080  0.498835  0.652122  1
  Ti  Ti141  1  0.589770  0.839193  0.642467  1
  Ti  Ti142  1  0.009362  0.178700  0.632088  1
  Ti  Ti143  1  0.089770  0.839193  0.642467  1
  Ti  Ti144  1  0.509362  0.178700  0.632088  1
  Ti  Ti145  1  0.998858  0.317738  0.673462  1
  Ti  Ti146  1  0.498858  0.317738  0.673462  1
  Ti  Ti147  1  0.420543  0.657292  0.663759  1
  Ti  Ti148  1  0.578253  0.980019  0.684598  1
  Ti  Ti149  1  0.920543  0.657292  0.663759  1
  Ti  Ti150  1  0.078253  0.980019  0.684598  1
  Ti  Ti151  1  0.912193  0.480008  0.684558  1
  Ti  Ti152  1  0.412193  0.480008  0.684558  1
  Ti  Ti153  1  0.329168  0.817751  0.673456  1
  Ti  Ti154  1  0.747012  0.157328  0.663753  1
  Ti  Ti155  1  0.829168  0.817751  0.673456  1
  Ti  Ti156  1  0.247012  0.157328  0.663753  1
  Ti  Ti157  1  0.740224  0.297779  0.703752  1
  Ti  Ti158  1  0.240224  0.297779  0.703752  1
  Ti  Ti159  1  0.163918  0.639172  0.694945  1
  Ti  Ti160  1  0.313977  0.956409  0.712172  1
  Ti  Ti161  1  0.663918  0.639172  0.694945  1
  Ti  Ti162  1  0.813977  0.956409  0.712172  1
  Ti  Ti163  1  0.652910  0.456541  0.712148  1
  Ti  Ti164  1  0.152910  0.456541  0.712148  1
  Ti  Ti165  1  0.067701  0.797694  0.703757  1
  Ti  Ti166  1  0.485494  0.139122  0.694931  1
  Ti  Ti167  1  0.567701  0.797694  0.703757  1
  Ti  Ti168  1  0.985494  0.139122  0.694931  1
