# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.71718053
_cell_length_b   9.77293727
_cell_length_c   46.98759877
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.83504509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti189
_cell_volume   7251.18392336
_cell_formula_units_Z   189
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  0.555150  0.143697  0.331106  1
  Ti  Ti2  1  0.034143  0.949340  0.279054  1
  Ti  Ti3  1  0.987478  0.244319  0.293464  1
  Ti  Ti4  1  0.383707  0.628712  0.273721  1
  Ti  Ti5  1  0.343815  0.931711  0.286644  1
  Ti  Ti6  1  0.246781  0.168315  0.320672  1
  Ti  Ti7  1  0.637710  0.555711  0.298869  1
  Ti  Ti8  1  0.598447  0.851665  0.313874  1
  Ti  Ti9  1  0.949960  0.536154  0.308367  1
  Ti  Ti10  1  0.686828  0.275668  0.322753  1
  Ti  Ti11  1  0.981936  0.906875  0.335293  1
  Ti  Ti12  1  0.121010  0.364432  0.287175  1
  Ti  Ti13  1  0.332487  0.591880  0.329668  1
  Ti  Ti14  1  0.475188  0.056981  0.280837  1
  Ti  Ti15  1  0.377074  0.297564  0.313488  1
  Ti  Ti16  1  0.771187  0.687473  0.292526  1
  Ti  Ti17  1  0.729115  0.980464  0.307654  1
  Ti  Ti18  1  0.082090  0.664171  0.300760  1
  Ti  Ti19  1  0.817422  0.406949  0.315368  1
  Ti  Ti20  1  0.114471  0.040071  0.327114  1
  Ti  Ti21  1  0.251482  0.499715  0.280292  1
  Ti  Ti22  1  0.466071  0.723517  0.320871  1
  Ti  Ti23  1  0.604417  0.187615  0.275183  1
  Ti  Ti24  1  0.506599  0.426179  0.307664  1
  Ti  Ti25  1  0.903498  0.817419  0.285812  1
  Ti  Ti26  1  0.857892  0.113122  0.299706  1
  Ti  Ti27  1  0.213032  0.801794  0.292794  1
  Ti  Ti28  1  0.372501  0.972470  0.395095  1
  Ti  Ti29  1  0.850540  0.775110  0.342805  1
  Ti  Ti30  1  0.809079  0.069313  0.357837  1
  Ti  Ti31  1  0.201715  0.460508  0.336984  1
  Ti  Ti32  1  0.161012  0.756970  0.350692  1
  Ti  Ti33  1  0.061585  0.993498  0.385897  1
  Ti  Ti34  1  0.455366  0.384761  0.364850  1
  Ti  Ti35  1  0.414451  0.678840  0.379512  1
  Ti  Ti36  1  0.766687  0.363711  0.373098  1
  Ti  Ti37  1  0.503819  0.102482  0.388443  1
  Ti  Ti38  1  0.798063  0.731059  0.401034  1
  Ti  Ti39  1  0.939837  0.199664  0.350401  1
  Ti  Ti40  1  0.150669  0.417011  0.394811  1
  Ti  Ti41  1  0.293523  0.885490  0.343737  1
  Ti  Ti42  1  0.193321  0.123939  0.378603  1
  Ti  Ti43  1  0.587123  0.515159  0.356970  1
  Ti  Ti44  1  0.546200  0.809062  0.371989  1
  Ti  Ti45  1  0.897832  0.493694  0.365913  1
  Ti  Ti46  1  0.635537  0.233290  0.380713  1
  Ti  Ti47  1  0.929738  0.862080  0.393787  1
  Ti  Ti48  1  0.070556  0.330584  0.344059  1
  Ti  Ti49  1  0.281911  0.548186  0.387536  1
  Ti  Ti50  1  0.424304  0.015774  0.337457  1
  Ti  Ti51  1  0.324648  0.254810  0.371716  1
  Ti  Ti52  1  0.718370  0.645196  0.349594  1
  Ti  Ti53  1  0.677822  0.938547  0.365275  1
  Ti  Ti54  1  0.029478  0.625046  0.358624  1
  Ti  Ti55  1  0.188919  0.795945  0.460553  1
  Ti  Ti56  1  0.666392  0.600770  0.408159  1
  Ti  Ti57  1  0.625132  0.894352  0.423568  1
  Ti  Ti58  1  0.019314  0.286382  0.401798  1
  Ti  Ti59  1  0.977749  0.579938  0.417078  1
  Ti  Ti60  1  0.877193  0.816059  0.452220  1
  Ti  Ti61  1  0.271890  0.208797  0.430190  1
  Ti  Ti62  1  0.230057  0.502116  0.445810  1
  Ti  Ti63  1  0.583414  0.187997  0.439122  1
  Ti  Ti64  1  0.320328  0.926675  0.453394  1
  Ti  Ti65  1  0.614063  0.554730  0.466727  1
  Ti  Ti66  1  0.756686  0.025088  0.416325  1
  Ti  Ti67  1  0.967201  0.240480  0.460163  1
  Ti  Ti68  1  0.109411  0.711301  0.409508  1
  Ti  Ti69  1  0.008902  0.947187  0.444656  1
  Ti  Ti70  1  0.403140  0.339562  0.423222  1
  Ti  Ti71  1  0.361890  0.633358  0.438120  1
  Ti  Ti72  1  0.714955  0.318843  0.431597  1
  Ti  Ti73  1  0.451690  0.057203  0.446464  1
  Ti  Ti74  1  0.745607  0.685344  0.459474  1
  Ti  Ti75  1  0.888144  0.156003  0.408833  1
  Ti  Ti76  1  0.098594  0.371083  0.453081  1
  Ti  Ti77  1  0.241105  0.842130  0.402000  1
  Ti  Ti78  1  0.140493  0.078057  0.437219  1
  Ti  Ti79  1  0.534860  0.470051  0.415684  1
  Ti  Ti80  1  0.493602  0.764056  0.430614  1
  Ti  Ti81  1  0.846246  0.449332  0.424332  1
  Ti  Ti82  1  0.005028  0.618160  0.526623  1
  Ti  Ti83  1  0.482425  0.423842  0.474217  1
  Ti  Ti84  1  0.441186  0.717581  0.489169  1
  Ti  Ti85  1  0.835794  0.109778  0.467388  1
  Ti  Ti86  1  0.794176  0.403286  0.482772  1
  Ti  Ti87  1  0.693332  0.638914  0.517947  1
  Ti  Ti88  1  0.088074  0.031446  0.495778  1
  Ti  Ti89  1  0.046289  0.324549  0.511544  1
  Ti  Ti90  1  0.399451  0.010693  0.504825  1
  Ti  Ti91  1  0.136631  0.749182  0.519043  1
  Ti  Ti92  1  0.430096  0.377127  0.532730  1
  Ti  Ti93  1  0.572656  0.848222  0.482022  1
  Ti  Ti94  1  0.783322  0.063218  0.525885  1
  Ti  Ti95  1  0.925671  0.533903  0.475535  1
  Ti  Ti96  1  0.824807  0.769522  0.510683  1
  Ti  Ti97  1  0.219494  0.162134  0.488685  1
  Ti  Ti98  1  0.177785  0.455358  0.504231  1
  Ti  Ti99  1  0.531012  0.141625  0.497518  1
  Ti  Ti100  1  0.268069  0.880058  0.511846  1
  Ti  Ti101  1  0.561814  0.508189  0.525213  1
  Ti  Ti102  1  0.704203  0.978870  0.474815  1
  Ti  Ti103  1  0.914837  0.194000  0.518632  1
  Ti  Ti104  1  0.057265  0.664897  0.468068  1
  Ti  Ti105  1  0.956435  0.900439  0.503203  1
  Ti  Ti106  1  0.350833  0.292905  0.481631  1
  Ti  Ti107  1  0.309511  0.586559  0.496639  1
  Ti  Ti108  1  0.662694  0.272566  0.490047  1
  Ti  Ti109  1  0.821037  0.441707  0.592567  1
  Ti  Ti110  1  0.298574  0.246206  0.540090  1
  Ti  Ti111  1  0.257086  0.539770  0.555134  1
  Ti  Ti112  1  0.651711  0.932363  0.533312  1
  Ti  Ti113  1  0.610303  0.226021  0.548488  1
  Ti  Ti114  1  0.509706  0.462200  0.583626  1
  Ti  Ti115  1  0.904102  0.854017  0.561634  1
  Ti  Ti116  1  0.862390  0.147882  0.577066  1
  Ti  Ti117  1  0.215681  0.833551  0.570264  1
  Ti  Ti118  1  0.952706  0.572049  0.585270  1
  Ti  Ti119  1  0.246535  0.200197  0.598504  1
  Ti  Ti120  1  0.388874  0.670994  0.547560  1
  Ti  Ti121  1  0.599424  0.886135  0.591868  1
  Ti  Ti122  1  0.741886  0.356833  0.541225  1
  Ti  Ti123  1  0.641320  0.592841  0.576378  1
  Ti  Ti124  1  0.035795  0.985025  0.554122  1
  Ti  Ti125  1  0.993803  0.278314  0.570086  1
  Ti  Ti126  1  0.347059  0.964064  0.563348  1
  Ti  Ti127  1  0.084353  0.702532  0.577537  1
  Ti  Ti128  1  0.377765  0.330903  0.591306  1
  Ti  Ti129  1  0.520339  0.801678  0.540503  1
  Ti  Ti130  1  0.730883  0.017080  0.584379  1
  Ti  Ti131  1  0.873423  0.487474  0.534047  1
  Ti  Ti132  1  0.772591  0.723426  0.569157  1
  Ti  Ti133  1  0.167234  0.115640  0.547107  1
  Ti  Ti134  1  0.125457  0.408631  0.562844  1
  Ti  Ti135  1  0.478536  0.094940  0.556062  1
  Ti  Ti136  1  0.636625  0.267855  0.657710  1
  Ti  Ti137  1  0.115043  0.070332  0.605262  1
  Ti  Ti138  1  0.072918  0.363386  0.621531  1
  Ti  Ti139  1  0.468191  0.755927  0.598809  1
  Ti  Ti140  1  0.425776  0.048915  0.614788  1
  Ti  Ti141  1  0.326106  0.285963  0.650123  1
  Ti  Ti142  1  0.721092  0.678688  0.627680  1
  Ti  Ti143  1  0.678536  0.973020  0.642825  1
  Ti  Ti144  1  0.032347  0.656889  0.636238  1
  Ti  Ti145  1  0.769175  0.396875  0.651071  1
  Ti  Ti146  1  0.063538  0.028526  0.662799  1
  Ti  Ti147  1  0.204844  0.493594  0.613849  1
  Ti  Ti148  1  0.416913  0.711802  0.656507  1
  Ti  Ti149  1  0.557683  0.180116  0.606871  1
  Ti  Ti150  1  0.457803  0.417438  0.642026  1
  Ti  Ti151  1  0.852147  0.809010  0.620090  1
  Ti  Ti152  1  0.810028  0.103501  0.635386  1
  Ti  Ti153  1  0.163060  0.788282  0.628586  1
  Ti  Ti154  1  0.900511  0.527991  0.643996  1
  Ti  Ti155  1  0.194912  0.156744  0.656211  1
  Ti  Ti156  1  0.336764  0.625146  0.605711  1
  Ti  Ti157  1  0.547666  0.842959  0.650217  1
  Ti  Ti158  1  0.689511  0.311035  0.599653  1
  Ti  Ti159  1  0.589670  0.548994  0.634696  1
  Ti  Ti160  1  0.983852  0.939740  0.612189  1
  Ti  Ti161  1  0.940952  0.233770  0.628612  1
  Ti  Ti162  1  0.294368  0.917970  0.621890  1
  Ti  Ti163  1  0.453914  0.093215  0.721621  1
  Ti  Ti164  1  0.933234  0.897642  0.669580  1
  Ti  Ti165  1  0.889478  0.189805  0.686960  1
  Ti  Ti166  1  0.285565  0.582386  0.663457  1
  Ti  Ti167  1  0.240910  0.875537  0.679921  1
  Ti  Ti168  1  0.143861  0.116764  0.712826  1
  Ti  Ti169  1  0.537532  0.506814  0.692214  1
  Ti  Ti170  1  0.500030  0.798398  0.707173  1
  Ti  Ti171  1  0.848255  0.487518  0.701493  1
  Ti  Ti172  1  0.584002  0.225592  0.714780  1
  Ti  Ti173  1  0.882107  0.862301  0.725397  1
  Ti  Ti174  1  0.020142  0.320206  0.679610  1
  Ti  Ti175  1  0.236443  0.543246  0.719735  1
  Ti  Ti176  1  0.373401  1.002166  0.673445  1
  Ti  Ti177  1  0.276677  0.239837  0.707566  1
  Ti  Ti178  1  0.669957  0.636131  0.685210  1
  Ti  Ti179  1  0.629755  0.929655  0.700930  1
  Ti  Ti180  1  0.982344  0.615250  0.694415  1
  Ti  Ti181  1  0.716064  0.355313  0.708116  1
  Ti  Ti182  1  0.015271  0.983689  0.719383  1
  Ti  Ti183  1  0.153608  0.448227  0.672671  1
  Ti  Ti184  1  0.366260  0.678530  0.713356  1
  Ti  Ti185  1  0.505504  0.135787  0.665350  1
  Ti  Ti186  1  0.405567  0.378921  0.699874  1
  Ti  Ti187  1  0.801456  0.767416  0.678165  1
  Ti  Ti188  1  0.757758  0.063475  0.692635  1
  Ti  Ti189  1  0.111457  0.746294  0.686217  1
