# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.85365343
_cell_length_b   12.57733796
_cell_length_c   46.11925063
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.38283949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti180
_cell_volume   7107.82826775
_cell_formula_units_Z   180
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  0.331321  0.148742  0.303754  1
  Ti  Ti2  1  0.831321  0.148742  0.303754  1
  Ti  Ti3  1  0.789815  0.533649  0.292587  1
  Ti  Ti4  1  0.289815  0.533649  0.292587  1
  Ti  Ti5  1  0.025415  0.711658  0.308046  1
  Ti  Ti6  1  0.525415  0.711658  0.308046  1
  Ti  Ti7  1  0.473807  0.075937  0.294505  1
  Ti  Ti8  1  0.973807  0.075937  0.294505  1
  Ti  Ti9  1  0.163218  0.622221  0.299462  1
  Ti  Ti10  1  0.663218  0.622221  0.299462  1
  Ti  Ti11  1  0.599366  0.983323  0.287881  1
  Ti  Ti12  1  0.099366  0.983323  0.287881  1
  Ti  Ti13  1  0.462597  0.424681  0.325343  1
  Ti  Ti14  1  0.962597  0.424681  0.325343  1
  Ti  Ti15  1  0.897483  0.798443  0.315420  1
  Ti  Ti16  1  0.397483  0.798443  0.315420  1
  Ti  Ti17  1  0.155873  0.963375  0.340201  1
  Ti  Ti18  1  0.655873  0.963375  0.340201  1
  Ti  Ti19  1  0.585243  0.337039  0.319796  1
  Ti  Ti20  1  0.085243  0.337039  0.319796  1
  Ti  Ti21  1  0.270636  0.883195  0.321989  1
  Ti  Ti22  1  0.770636  0.883195  0.321989  1
  Ti  Ti23  1  0.713706  0.254522  0.309955  1
  Ti  Ti24  1  0.213706  0.254522  0.309955  1
  Ti  Ti25  1  0.600317  0.671219  0.359233  1
  Ti  Ti26  1  0.100317  0.671219  0.359233  1
  Ti  Ti27  1  0.038341  0.049855  0.345561  1
  Ti  Ti28  1  0.538341  0.049855  0.345561  1
  Ti  Ti29  1  0.291654  0.225921  0.363357  1
  Ti  Ti30  1  0.791654  0.225921  0.363357  1
  Ti  Ti31  1  0.725748  0.586136  0.350475  1
  Ti  Ti32  1  0.225748  0.586136  0.350475  1
  Ti  Ti33  1  0.410155  0.127319  0.355272  1
  Ti  Ti34  1  0.910155  0.127319  0.355272  1
  Ti  Ti35  1  0.845745  0.500362  0.343625  1
  Ti  Ti36  1  0.345745  0.500362  0.343625  1
  Ti  Ti37  1  0.726350  0.929445  0.390731  1
  Ti  Ti38  1  0.226350  0.929445  0.390731  1
  Ti  Ti39  1  0.157299  0.301521  0.373807  1
  Ti  Ti40  1  0.657299  0.301521  0.373807  1
  Ti  Ti41  1  0.415863  0.477993  0.396027  1
  Ti  Ti42  1  0.915863  0.477993  0.396027  1
  Ti  Ti43  1  0.846950  0.846970  0.376182  1
  Ti  Ti44  1  0.346950  0.846970  0.376182  1
  Ti  Ti45  1  0.533166  0.391473  0.381022  1
  Ti  Ti46  1  0.033166  0.391473  0.381022  1
  Ti  Ti47  1  0.970933  0.757113  0.368602  1
  Ti  Ti48  1  0.470933  0.757113  0.368602  1
  Ti  Ti49  1  0.853091  0.190308  0.418637  1
  Ti  Ti50  1  0.353091  0.190308  0.418637  1
  Ti  Ti51  1  0.288459  0.558722  0.405132  1
  Ti  Ti52  1  0.788459  0.558722  0.405132  1
  Ti  Ti53  1  0.540066  0.734872  0.423707  1
  Ti  Ti54  1  0.040066  0.734872  0.423707  1
  Ti  Ti55  1  0.975198  0.099069  0.409888  1
  Ti  Ti56  1  0.475198  0.099069  0.409888  1
  Ti  Ti57  1  0.665756  0.646860  0.414677  1
  Ti  Ti58  1  0.165756  0.646860  0.414677  1
  Ti  Ti59  1  0.104138  0.019185  0.399690  1
  Ti  Ti60  1  0.604138  0.019185  0.399690  1
  Ti  Ti61  1  0.980727  0.445561  0.449361  1
  Ti  Ti62  1  0.480727  0.445561  0.449361  1
  Ti  Ti63  1  0.414046  0.818899  0.432419  1
  Ti  Ti64  1  0.914046  0.818899  0.432419  1
  Ti  Ti65  1  0.670371  0.990102  0.454595  1
  Ti  Ti66  1  0.170371  0.990102  0.454595  1
  Ti  Ti67  1  0.100673  0.359884  0.437059  1
  Ti  Ti68  1  0.600673  0.359884  0.437059  1
  Ti  Ti69  1  0.792269  0.903242  0.444689  1
  Ti  Ti70  1  0.292269  0.903242  0.444689  1
  Ti  Ti71  1  0.227634  0.276179  0.428541  1
  Ti  Ti72  1  0.727634  0.276179  0.428541  1
  Ti  Ti73  1  0.106821  0.702887  0.477945  1
  Ti  Ti74  1  0.606821  0.702887  0.477945  1
  Ti  Ti75  1  0.544946  0.074066  0.464058  1
  Ti  Ti76  1  0.044946  0.074066  0.464058  1
  Ti  Ti77  1  0.795186  0.247215  0.483136  1
  Ti  Ti78  1  0.295186  0.247215  0.483136  1
  Ti  Ti79  1  0.232669  0.615985  0.469111  1
  Ti  Ti80  1  0.732669  0.615985  0.469111  1
  Ti  Ti81  1  0.920020  0.160903  0.473592  1
  Ti  Ti82  1  0.420020  0.160903  0.473592  1
  Ti  Ti83  1  0.358056  0.531936  0.459256  1
  Ti  Ti84  1  0.858056  0.531936  0.459256  1
  Ti  Ti85  1  0.237044  0.958925  0.509346  1
  Ti  Ti86  1  0.737044  0.958925  0.509346  1
  Ti  Ti87  1  0.670426  0.333211  0.492234  1
  Ti  Ti88  1  0.170426  0.333211  0.492234  1
  Ti  Ti89  1  0.924613  0.502622  0.514079  1
  Ti  Ti90  1  0.424613  0.502622  0.514079  1
  Ti  Ti91  1  0.360041  0.874363  0.498188  1
  Ti  Ti92  1  0.860041  0.874363  0.498188  1
  Ti  Ti93  1  0.047429  0.417773  0.503392  1
  Ti  Ti94  1  0.547429  0.417773  0.503392  1
  Ti  Ti95  1  0.482857  0.789514  0.487502  1
  Ti  Ti96  1  0.982857  0.789514  0.487502  1
  Ti  Ti97  1  0.362524  0.218071  0.537523  1
  Ti  Ti98  1  0.862524  0.218071  0.537523  1
  Ti  Ti99  1  0.800649  0.589249  0.523635  1
  Ti  Ti100  1  0.300649  0.589249  0.523635  1
  Ti  Ti101  1  0.049414  0.760200  0.542325  1
  Ti  Ti102  1  0.549414  0.760200  0.542325  1
  Ti  Ti103  1  0.487450  0.131233  0.527988  1
  Ti  Ti104  1  0.987450  0.131233  0.527988  1
  Ti  Ti105  1  0.174801  0.676151  0.532470  1
  Ti  Ti106  1  0.674801  0.676151  0.532470  1
  Ti  Ti107  1  0.612284  0.044921  0.518444  1
  Ti  Ti108  1  0.112284  0.044921  0.518444  1
  Ti  Ti109  1  0.493424  0.473237  0.569161  1
  Ti  Ti110  1  0.993424  0.473237  0.569161  1
  Ti  Ti111  1  0.926743  0.846575  0.552219  1
  Ti  Ti112  1  0.426743  0.846575  0.552219  1
  Ti  Ti113  1  0.179836  0.015958  0.573039  1
  Ti  Ti114  1  0.679836  0.015958  0.573039  1
  Ti  Ti115  1  0.615201  0.388894  0.556891  1
  Ti  Ti116  1  0.115201  0.388894  0.556891  1
  Ti  Ti117  1  0.306797  0.932252  0.564521  1
  Ti  Ti118  1  0.806797  0.932252  0.564521  1
  Ti  Ti119  1  0.737099  0.302034  0.546985  1
  Ti  Ti120  1  0.237099  0.302034  0.546985  1
  Ti  Ti121  1  0.619011  0.733414  0.596448  1
  Ti  Ti122  1  0.119011  0.733414  0.596448  1
  Ti  Ti123  1  0.054379  0.101828  0.582944  1
  Ti  Ti124  1  0.554379  0.101828  0.582944  1
  Ti  Ti125  1  0.303332  0.272951  0.601890  1
  Ti  Ti126  1  0.803332  0.272951  0.601890  1
  Ti  Ti127  1  0.741714  0.645276  0.586903  1
  Ti  Ti128  1  0.241714  0.645276  0.586903  1
  Ti  Ti129  1  0.432272  0.193067  0.591693  1
  Ti  Ti130  1  0.932272  0.193067  0.591693  1
  Ti  Ti131  1  0.867403  0.557265  0.577874  1
  Ti  Ti132  1  0.367403  0.557265  0.577874  1
  Ti  Ti133  1  0.750171  0.990616  0.627773  1
  Ti  Ti134  1  0.250171  0.990616  0.627773  1
  Ti  Ti135  1  0.181120  0.362691  0.610849  1
  Ti  Ti136  1  0.681120  0.362691  0.610849  1
  Ti  Ti137  1  0.436537  0.535023  0.632978  1
  Ti  Ti138  1  0.936537  0.535023  0.632978  1
  Ti  Ti139  1  0.874303  0.900663  0.620558  1
  Ti  Ti140  1  0.374303  0.900663  0.620558  1
  Ti  Ti141  1  0.560520  0.445166  0.625398  1
  Ti  Ti142  1  0.060520  0.445166  0.625398  1
  Ti  Ti143  1  0.991607  0.814143  0.605553  1
  Ti  Ti144  1  0.491607  0.814143  0.605553  1
  Ti  Ti145  1  0.869129  0.242281  0.656019  1
  Ti  Ti146  1  0.369129  0.242281  0.656019  1
  Ti  Ti147  1  0.307153  0.620918  0.642347  1
  Ti  Ti148  1  0.807153  0.620918  0.642347  1
  Ti  Ti149  1  0.561725  0.791775  0.657956  1
  Ti  Ti150  1  0.061725  0.791775  0.657956  1
  Ti  Ti151  1  0.997315  0.164817  0.646308  1
  Ti  Ti152  1  0.497315  0.164817  0.646308  1
  Ti  Ti153  1  0.681721  0.706000  0.651105  1
  Ti  Ti154  1  0.181721  0.706000  0.651105  1
  Ti  Ti155  1  0.115816  0.066215  0.638223  1
  Ti  Ti156  1  0.615816  0.066215  0.638223  1
  Ti  Ti157  1  0.009987  0.493693  0.686161  1
  Ti  Ti158  1  0.509987  0.493693  0.686161  1
  Ti  Ti159  1  0.444872  0.867455  0.676237  1
  Ti  Ti160  1  0.944872  0.867455  0.676237  1
  Ti  Ti161  1  0.693764  0.037614  0.691625  1
  Ti  Ti162  1  0.193764  0.037614  0.691625  1
  Ti  Ti163  1  0.136834  0.408941  0.679591  1
  Ti  Ti164  1  0.636834  0.408941  0.679591  1
  Ti  Ti165  1  0.822227  0.955097  0.681784  1
  Ti  Ti166  1  0.322227  0.955097  0.681784  1
  Ti  Ti167  1  0.251597  0.328762  0.661379  1
  Ti  Ti168  1  0.751597  0.328762  0.661379  1
  Ti  Ti169  1  0.117655  0.758488  0.708994  1
  Ti  Ti170  1  0.617655  0.758488  0.708994  1
  Ti  Ti171  1  0.576149  0.143395  0.697826  1
  Ti  Ti172  1  0.076149  0.143395  0.697826  1
  Ti  Ti173  1  0.808103  0.308814  0.713699  1
  Ti  Ti174  1  0.308103  0.308814  0.713699  1
  Ti  Ti175  1  0.244252  0.669916  0.702118  1
  Ti  Ti176  1  0.744252  0.669916  0.702118  1
  Ti  Ti177  1  0.933662  0.216199  0.707076  1
  Ti  Ti178  1  0.433662  0.216199  0.707076  1
  Ti  Ti179  1  0.382055  0.580478  0.693534  1
  Ti  Ti180  1  0.882055  0.580478  0.693534  1
