# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75079755
_cell_length_b   14.31443609
_cell_length_c   48.30253045
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.22494220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti144
_cell_volume   5355.04329718
_cell_formula_units_Z   144
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  0.560843  0.381872  0.291738  1
  Ti  Ti2  1  0.543343  0.065486  0.275611  1
  Ti  Ti3  1  0.585664  0.701375  0.311320  1
  Ti  Ti4  1  0.894177  0.048539  0.291738  1
  Ti  Ti5  1  0.876677  0.732153  0.275611  1
  Ti  Ti6  1  0.227510  0.715205  0.291738  1
  Ti  Ti7  1  0.918997  0.368041  0.311320  1
  Ti  Ti8  1  0.210010  0.398819  0.275611  1
  Ti  Ti9  1  0.252331  0.034708  0.311320  1
  Ti  Ti10  1  0.484847  0.202761  0.314163  1
  Ti  Ti11  1  0.464982  0.879697  0.294804  1
  Ti  Ti12  1  0.441007  0.560687  0.277407  1
  Ti  Ti13  1  0.818181  0.869427  0.314163  1
  Ti  Ti14  1  0.798316  0.546364  0.294804  1
  Ti  Ti15  1  0.151514  0.536094  0.314163  1
  Ti  Ti16  1  0.774340  0.227353  0.277407  1
  Ti  Ti17  1  0.131649  0.213030  0.294804  1
  Ti  Ti18  1  0.107674  0.894020  0.277407  1
  Ti  Ti19  1  0.633703  0.341973  0.349967  1
  Ti  Ti20  1  0.607935  0.023685  0.331004  1
  Ti  Ti21  1  0.655888  0.661378  0.369953  1
  Ti  Ti22  1  0.967036  0.008640  0.349967  1
  Ti  Ti23  1  0.941268  0.690351  0.331004  1
  Ti  Ti24  1  0.300370  0.675307  0.349967  1
  Ti  Ti25  1  0.989221  0.328044  0.369953  1
  Ti  Ti26  1  0.274601  0.357018  0.331004  1
  Ti  Ti27  1  0.322554  0.994711  0.369953  1
  Ti  Ti28  1  0.551983  0.160042  0.372981  1
  Ti  Ti29  1  0.529922  0.840051  0.352899  1
  Ti  Ti30  1  0.507476  0.519341  0.333135  1
  Ti  Ti31  1  0.885316  0.826709  0.372981  1
  Ti  Ti32  1  0.863255  0.506717  0.352899  1
  Ti  Ti33  1  0.218649  0.493376  0.372981  1
  Ti  Ti34  1  0.840809  0.186007  0.333135  1
  Ti  Ti35  1  0.196588  0.173384  0.352899  1
  Ti  Ti36  1  0.174143  0.852674  0.333135  1
  Ti  Ti37  1  0.702444  0.301064  0.409310  1
  Ti  Ti38  1  0.679469  0.981442  0.389618  1
  Ti  Ti39  1  0.725273  0.620735  0.428983  1
  Ti  Ti40  1  0.035778  0.967731  0.409310  1
  Ti  Ti41  1  0.012802  0.648109  0.389618  1
  Ti  Ti42  1  0.369111  0.634398  0.409310  1
  Ti  Ti43  1  0.058606  0.287402  0.428983  1
  Ti  Ti44  1  0.346136  0.314776  0.389618  1
  Ti  Ti45  1  0.391939  0.954069  0.428983  1
  Ti  Ti46  1  0.620406  0.118668  0.432032  1
  Ti  Ti47  1  0.597493  0.798997  0.412282  1
  Ti  Ti48  1  0.574982  0.479095  0.392519  1
  Ti  Ti49  1  0.953739  0.785335  0.432032  1
  Ti  Ti50  1  0.930827  0.465663  0.412282  1
  Ti  Ti51  1  0.287073  0.452001  0.432032  1
  Ti  Ti52  1  0.908315  0.145762  0.392519  1
  Ti  Ti53  1  0.264160  0.132330  0.412282  1
  Ti  Ti54  1  0.241648  0.812429  0.392519  1
  Ti  Ti55  1  0.771090  0.260185  0.468380  1
  Ti  Ti56  1  0.748207  0.940448  0.448672  1
  Ti  Ti57  1  0.793970  0.579867  0.488064  1
  Ti  Ti58  1  0.104423  0.926851  0.468380  1
  Ti  Ti59  1  0.081541  0.607115  0.448672  1
  Ti  Ti60  1  0.437757  0.593518  0.468380  1
  Ti  Ti61  1  0.127303  0.246534  0.488064  1
  Ti  Ti62  1  0.414874  0.273781  0.448672  1
  Ti  Ti63  1  0.460636  0.913200  0.488064  1
  Ti  Ti64  1  0.688893  0.077762  0.491125  1
  Ti  Ti65  1  0.666006  0.758055  0.471414  1
  Ti  Ti66  1  0.643167  0.438371  0.451713  1
  Ti  Ti67  1  0.022226  0.744429  0.491125  1
  Ti  Ti68  1  0.999339  0.424721  0.471414  1
  Ti  Ti69  1  0.355559  0.411096  0.491125  1
  Ti  Ti70  1  0.976501  0.105038  0.451713  1
  Ti  Ti71  1  0.332673  0.091388  0.471414  1
  Ti  Ti72  1  0.309834  0.771705  0.451713  1
  Ti  Ti73  1  0.839707  0.219285  0.527472  1
  Ti  Ti74  1  0.816820  0.899578  0.507761  1
  Ti  Ti75  1  0.862545  0.538968  0.547173  1
  Ti  Ti76  1  0.173040  0.885952  0.527472  1
  Ti  Ti77  1  0.150153  0.566244  0.507761  1
  Ti  Ti78  1  0.506373  0.552619  0.527472  1
  Ti  Ti79  1  0.195879  0.205635  0.547173  1
  Ti  Ti80  1  0.483487  0.232911  0.507761  1
  Ti  Ti81  1  0.529212  0.872302  0.547173  1
  Ti  Ti82  1  0.757505  0.036892  0.550214  1
  Ti  Ti83  1  0.734623  0.717155  0.530505  1
  Ti  Ti84  1  0.711743  0.397473  0.510821  1
  Ti  Ti85  1  0.090839  0.703558  0.550214  1
  Ti  Ti86  1  0.067956  0.383822  0.530505  1
  Ti  Ti87  1  0.424172  0.370225  0.550214  1
  Ti  Ti88  1  0.045077  0.064139  0.510821  1
  Ti  Ti89  1  0.401289  0.050489  0.530505  1
  Ti  Ti90  1  0.378410  0.730806  0.510821  1
  Ti  Ti91  1  0.908219  0.178343  0.586604  1
  Ti  Ti92  1  0.885307  0.858672  0.566853  1
  Ti  Ti93  1  0.930731  0.498245  0.606367  1
  Ti  Ti94  1  0.241553  0.845010  0.586604  1
  Ti  Ti95  1  0.218640  0.525339  0.566853  1
  Ti  Ti96  1  0.574886  0.511677  0.586604  1
  Ti  Ti97  1  0.264064  0.164911  0.606367  1
  Ti  Ti98  1  0.551973  0.192005  0.566853  1
  Ti  Ti99  1  0.597398  0.831578  0.606367  1
  Ti  Ti100  1  0.826244  0.995898  0.609267  1
  Ti  Ti101  1  0.803268  0.676275  0.589576  1
  Ti  Ti102  1  0.780440  0.356604  0.569903  1
  Ti  Ti103  1  0.159577  0.662564  0.609267  1
  Ti  Ti104  1  0.136602  0.342942  0.589576  1
  Ti  Ti105  1  0.492910  0.329231  0.609267  1
  Ti  Ti106  1  0.113773  0.023271  0.569903  1
  Ti  Ti107  1  0.469935  0.009609  0.589576  1
  Ti  Ti108  1  0.447107  0.689938  0.569903  1
  Ti  Ti109  1  0.975791  0.137289  0.645987  1
  Ti  Ti110  1  0.953730  0.817298  0.625904  1
  Ti  Ti111  1  0.998237  0.457999  0.665750  1
  Ti  Ti112  1  0.309124  0.803956  0.645987  1
  Ti  Ti113  1  0.287064  0.483964  0.625904  1
  Ti  Ti114  1  0.642458  0.470622  0.645987  1
  Ti  Ti115  1  0.331570  0.124666  0.665750  1
  Ti  Ti116  1  0.620397  0.150631  0.625904  1
  Ti  Ti117  1  0.664903  0.791333  0.665750  1
  Ti  Ti118  1  0.897778  0.953655  0.667881  1
  Ti  Ti119  1  0.872010  0.635367  0.648919  1
  Ti  Ti120  1  0.849825  0.315962  0.628933  1
  Ti  Ti121  1  0.231111  0.620322  0.667881  1
  Ti  Ti122  1  0.205343  0.302033  0.648919  1
  Ti  Ti123  1  0.564445  0.286988  0.667881  1
  Ti  Ti124  1  0.183158  0.982629  0.628933  1
  Ti  Ti125  1  0.538676  0.968700  0.648919  1
  Ti  Ti126  1  0.516492  0.649295  0.628933  1
  Ti  Ti127  1  0.040730  0.097643  0.704081  1
  Ti  Ti128  1  0.020865  0.774579  0.684723  1
  Ti  Ti129  1  0.064706  0.416653  0.721478  1
  Ti  Ti130  1  0.374064  0.764310  0.704081  1
  Ti  Ti131  1  0.354199  0.441246  0.684723  1
  Ti  Ti132  1  0.707397  0.430976  0.704081  1
  Ti  Ti133  1  0.398039  0.083320  0.721478  1
  Ti  Ti134  1  0.687532  0.107913  0.684723  1
  Ti  Ti135  1  0.731372  0.749987  0.721478  1
  Ti  Ti136  1  0.962369  0.911854  0.723275  1
  Ti  Ti137  1  0.944869  0.595468  0.707148  1
  Ti  Ti138  1  0.920049  0.275965  0.687566  1
  Ti  Ti139  1  0.295703  0.578520  0.723275  1
  Ti  Ti140  1  0.278203  0.262135  0.707148  1
  Ti  Ti141  1  0.629036  0.245187  0.723275  1
  Ti  Ti142  1  0.253382  0.942632  0.687566  1
  Ti  Ti143  1  0.611536  0.928801  0.707148  1
  Ti  Ti144  1  0.586715  0.609299  0.687566  1
