# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.53603843
_cell_length_b   9.73588785
_cell_length_c   49.78777564
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.81459198
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti189
_cell_volume   7570.30491246
_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  0.411128  0.968393  0.346724  1
  Ti  Ti2  1  0.908135  0.774567  0.288343  1
  Ti  Ti3  1  0.851494  0.070854  0.302255  1
  Ti  Ti4  1  0.247172  0.445889  0.287129  1
  Ti  Ti5  1  0.175317  0.736310  0.301431  1
  Ti  Ti6  1  0.139852  0.008731  0.324237  1
  Ti  Ti7  1  0.505642  0.408728  0.304580  1
  Ti  Ti8  1  0.472967  0.684748  0.324644  1
  Ti  Ti9  1  0.805454  0.349197  0.323182  1
  Ti  Ti10  1  0.544808  0.085687  0.335702  1
  Ti  Ti11  1  0.876848  0.745821  0.340161  1
  Ti  Ti12  1  0.990255  0.174276  0.299658  1
  Ti  Ti13  1  0.208389  0.406157  0.338345  1
  Ti  Ti14  1  0.319277  0.819652  0.298302  1
  Ti  Ti15  1  0.272002  0.118500  0.314042  1
  Ti  Ti16  1  0.648374  0.508399  0.299467  1
  Ti  Ti17  1  0.606040  0.797894  0.315395  1
  Ti  Ti18  1  0.934555  0.471123  0.313942  1
  Ti  Ti19  1  0.667987  0.228309  0.327026  1
  Ti  Ti20  1  1.001490  0.886272  0.327730  1
  Ti  Ti21  1  0.121766  0.303829  0.292521  1
  Ti  Ti22  1  0.333390  0.553150  0.328174  1
  Ti  Ti23  1  0.445310  0.955603  0.294204  1
  Ti  Ti24  1  0.393566  0.252610  0.310554  1
  Ti  Ti25  1  0.778911  0.638979  0.292485  1
  Ti  Ti26  1  0.736663  0.923967  0.311431  1
  Ti  Ti27  1  0.064997  0.587875  0.309881  1
  Ti  Ti28  1  0.246141  0.824115  0.406970  1
  Ti  Ti29  1  0.743403  0.629075  0.345571  1
  Ti  Ti30  1  0.689977  0.915606  0.365593  1
  Ti  Ti31  1  0.072658  0.294517  0.344717  1
  Ti  Ti32  1  0.029053  0.581487  0.364664  1
  Ti  Ti33  1  0.964852  0.872120  0.384391  1
  Ti  Ti34  1  0.358501  0.252449  0.365081  1
  Ti  Ti35  1  0.300151  0.538392  0.385344  1
  Ti  Ti36  1  0.634993  0.206242  0.383636  1
  Ti  Ti37  1  0.374470  0.950567  0.400980  1
  Ti  Ti38  1  0.707123  0.615805  0.400410  1
  Ti  Ti39  1  0.815414  0.043512  0.355638  1
  Ti  Ti40  1  0.042522  0.281023  0.400179  1
  Ti  Ti41  1  0.155934  0.706878  0.355651  1
  Ti  Ti42  1  0.098428  0.991969  0.378489  1
  Ti  Ti43  1  0.484401  0.376920  0.357848  1
  Ti  Ti44  1  0.432131  0.660273  0.379179  1
  Ti  Ti45  1  0.767669  0.327412  0.378339  1
  Ti  Ti46  1  0.506696  0.077059  0.392432  1
  Ti  Ti47  1  0.836759  0.742486  0.394668  1
  Ti  Ti48  1  0.946664  0.165297  0.352611  1
  Ti  Ti49  1  0.171863  0.409976  0.394231  1
  Ti  Ti50  1  0.286192  0.834963  0.352148  1
  Ti  Ti51  1  0.227178  0.126393  0.370416  1
  Ti  Ti52  1  0.616188  0.498991  0.352800  1
  Ti  Ti53  1  0.561015  0.789565  0.370600  1
  Ti  Ti54  1  0.897002  0.458261  0.370323  1
  Ti  Ti55  1  0.080658  0.688595  0.468948  1
  Ti  Ti56  1  0.579108  0.488174  0.407668  1
  Ti  Ti57  1  0.524973  0.778548  0.426924  1
  Ti  Ti58  1  0.913136  0.156065  0.407709  1
  Ti  Ti59  1  0.858632  0.446394  0.426646  1
  Ti  Ti60  1  0.802019  0.731362  0.449755  1
  Ti  Ti61  1  0.192059  0.111537  0.427176  1
  Ti  Ti62  1  0.134814  0.398841  0.449238  1
  Ti  Ti63  1  0.469852  0.066427  0.448508  1
  Ti  Ti64  1  0.210268  0.814197  0.462446  1
  Ti  Ti65  1  0.542345  0.479775  0.462949  1
  Ti  Ti66  1  0.654807  0.903849  0.421220  1
  Ti  Ti67  1  0.875950  0.146562  0.462992  1
  Ti  Ti68  1  0.988773  0.570743  0.420113  1
  Ti  Ti69  1  0.930988  0.859848  0.440975  1
  Ti  Ti70  1  0.321420  0.237615  0.420535  1
  Ti  Ti71  1  0.263937  0.526700  0.441311  1
  Ti  Ti72  1  0.599102  0.194161  0.440160  1
  Ti  Ti73  1  0.339191  0.941309  0.456517  1
  Ti  Ti74  1  0.671640  0.606824  0.456041  1
  Ti  Ti75  1  0.782366  0.034055  0.412560  1
  Ti  Ti76  1  0.005063  0.273381  0.455824  1
  Ti  Ti77  1  0.115640  0.701711  0.412537  1
  Ti  Ti78  1  0.061888  0.985953  0.434512  1
  Ti  Ti79  1  0.448315  0.366511  0.414022  1
  Ti  Ti80  1  0.394308  0.654005  0.434836  1
  Ti  Ti81  1  0.729389  0.319820  0.434286  1
  Ti  Ti82  1  0.915329  0.551705  0.531481  1
  Ti  Ti83  1  0.412371  0.355019  0.469988  1
  Ti  Ti84  1  0.358152  0.643097  0.490368  1
  Ti  Ti85  1  0.746441  0.021412  0.468857  1
  Ti  Ti86  1  0.692678  0.309654  0.489768  1
  Ti  Ti87  1  0.635588  0.596117  0.511728  1
  Ti  Ti88  1  0.025095  0.975366  0.489865  1
  Ti  Ti89  1  0.969440  0.262459  0.511625  1
  Ti  Ti90  1  0.302669  0.930620  0.512053  1
  Ti  Ti91  1  0.044608  0.677170  0.525347  1
  Ti  Ti92  1  0.375564  0.345460  0.526233  1
  Ti  Ti93  1  0.488334  0.768531  0.483070  1
  Ti  Ti94  1  0.710467  0.010371  0.525084  1
  Ti  Ti95  1  0.822472  0.436004  0.482700  1
  Ti  Ti96  1  0.765245  0.722167  0.505048  1
  Ti  Ti97  1  0.154679  0.101908  0.483216  1
  Ti  Ti98  1  0.099137  0.389117  0.504754  1
  Ti  Ti99  1  0.432883  0.057477  0.504398  1
  Ti  Ti100  1  0.173130  0.804660  0.518045  1
  Ti  Ti101  1  0.505834  0.469747  0.518559  1
  Ti  Ti102  1  0.617555  0.894350  0.476884  1
  Ti  Ti103  1  0.839163  0.137326  0.518569  1
  Ti  Ti104  1  0.952472  0.561412  0.475995  1
  Ti  Ti105  1  0.895068  0.849197  0.497257  1
  Ti  Ti106  1  0.284007  0.228786  0.476313  1
  Ti  Ti107  1  0.228297  0.516490  0.497418  1
  Ti  Ti108  1  0.563153  0.183457  0.496278  1
  Ti  Ti109  1  0.750261  0.415906  0.593922  1
  Ti  Ti110  1  0.247828  0.217830  0.532085  1
  Ti  Ti111  1  0.193232  0.504883  0.553617  1
  Ti  Ti112  1  0.581014  0.884202  0.532610  1
  Ti  Ti113  1  0.526576  0.173973  0.551986  1
  Ti  Ti114  1  0.468219  0.460818  0.574292  1
  Ti  Ti115  1  0.859427  0.838283  0.553469  1
  Ti  Ti116  1  0.802149  0.126813  0.574323  1
  Ti  Ti117  1  0.136100  0.795849  0.573765  1
  Ti  Ti118  1  0.880006  0.540914  0.586921  1
  Ti  Ti119  1  0.210654  0.209159  0.587549  1
  Ti  Ti120  1  0.321298  0.634707  0.545771  1
  Ti  Ti121  1  0.544168  0.873094  0.588205  1
  Ti  Ti122  1  0.656442  0.299568  0.545155  1
  Ti  Ti123  1  0.598935  0.585576  0.567540  1
  Ti  Ti124  1  0.988670  0.965901  0.545058  1
  Ti  Ti125  1  0.932904  0.251311  0.567616  1
  Ti  Ti126  1  0.266533  0.920864  0.568079  1
  Ti  Ti127  1  0.008641  0.666274  0.581626  1
  Ti  Ti128  1  0.340816  0.331572  0.582850  1
  Ti  Ti129  1  0.451748  0.758299  0.538902  1
  Ti  Ti130  1  0.672755  1.000967  0.581184  1
  Ti  Ti131  1  0.786208  0.425813  0.538486  1
  Ti  Ti132  1  0.729180  0.712279  0.560717  1
  Ti  Ti133  1  0.118653  0.091346  0.539181  1
  Ti  Ti134  1  0.061955  0.379749  0.560273  1
  Ti  Ti135  1  0.396763  0.046647  0.560277  1
  Ti  Ti136  1  0.584842  0.278512  0.654821  1
  Ti  Ti137  1  0.082767  0.082374  0.595015  1
  Ti  Ti138  1  0.026831  0.371040  0.616401  1
  Ti  Ti139  1  0.415523  0.748590  0.594749  1
  Ti  Ti140  1  0.358470  0.039572  0.616564  1
  Ti  Ti141  1  0.300894  0.326007  0.639499  1
  Ti  Ti142  1  0.691328  0.701972  0.616226  1
  Ti  Ti143  1  0.641817  0.982585  0.637998  1
  Ti  Ti144  1  0.970354  0.657112  0.637882  1
  Ti  Ti145  1  0.715721  0.403961  0.649226  1
  Ti  Ti146  1  0.046290  0.067840  0.650124  1
  Ti  Ti147  1  0.157387  0.494144  0.609595  1
  Ti  Ti148  1  0.381221  0.739993  0.650195  1
  Ti  Ti149  1  0.493921  0.159777  0.607897  1
  Ti  Ti150  1  0.430340  0.450460  0.630423  1
  Ti  Ti151  1  0.821985  0.828380  0.609875  1
  Ti  Ti152  1  0.763566  0.118692  0.629929  1
  Ti  Ti153  1  0.098964  0.781745  0.629483  1
  Ti  Ti154  1  0.840499  0.534939  0.641464  1
  Ti  Ti155  1  0.175312  0.194422  0.643150  1
  Ti  Ti156  1  0.285085  0.623420  0.600891  1
  Ti  Ti157  1  0.508237  0.865774  0.643843  1
  Ti  Ti158  1  0.619559  0.292425  0.600220  1
  Ti  Ti159  1  0.562479  0.575523  0.623983  1
  Ti  Ti160  1  0.952861  0.956274  0.600129  1
  Ti  Ti161  1  0.896038  0.242338  0.624055  1
  Ti  Ti162  1  0.229861  0.906767  0.624284  1
  Ti  Ti163  1  0.426170  0.126453  0.714517  1
  Ti  Ti164  1  0.912897  0.949844  0.654327  1
  Ti  Ti165  1  0.852998  0.224542  0.680078  1
  Ti  Ti166  1  0.249197  0.621152  0.656676  1
  Ti  Ti167  1  0.190863  0.909104  0.680379  1
  Ti  Ti168  1  0.132996  0.208940  0.696161  1
  Ti  Ti169  1  0.522697  0.552373  0.679141  1
  Ti  Ti170  1  0.472837  0.837479  0.697459  1
  Ti  Ti171  1  0.813314  0.522507  0.694825  1
  Ti  Ti172  1  0.549074  0.269113  0.707950  1
  Ti  Ti173  1  0.883055  0.930819  0.706385  1
  Ti  Ti174  1  0.980728  0.354535  0.670675  1
  Ti  Ti175  1  0.203013  0.601198  0.707738  1
  Ti  Ti176  1  0.325315  0.026504  0.673354  1
  Ti  Ti177  1  0.270011  0.308210  0.694183  1
  Ti  Ti178  1  0.652919  0.684658  0.671928  1
  Ti  Ti179  1  0.596022  0.975168  0.692174  1
  Ti  Ti180  1  0.952083  0.631439  0.692520  1
  Ti  Ti181  1  0.680887  0.397437  0.702066  1
  Ti  Ti182  1  0.008454  0.073185  0.703464  1
  Ti  Ti183  1  0.119697  0.483395  0.666433  1
  Ti  Ti184  1  0.339421  0.717082  0.702651  1
  Ti  Ti185  1  0.456778  0.152322  0.662507  1
  Ti  Ti186  1  0.391519  0.432052  0.685859  1
  Ti  Ti187  1  0.791943  0.807330  0.668028  1
  Ti  Ti188  1  0.721719  0.106122  0.685119  1
  Ti  Ti189  1  0.057720  0.791676  0.683907  1
