# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.09828139
_cell_length_b   9.57561281
_cell_length_c   49.32543847
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.26128335
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti135
_cell_volume   5690.20111755
_cell_formula_units_Z   135
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  0.261587  0.707142  0.340554  1
  Ti  Ti2  1  0.240884  0.442616  0.313821  1
  Ti  Ti3  1  0.242171  0.174929  0.290236  1
  Ti  Ti4  1  0.594003  0.364819  0.342391  1
  Ti  Ti5  1  0.575766  0.123587  0.307026  1
  Ti  Ti6  1  0.926235  0.011633  0.344768  1
  Ti  Ti7  1  0.580911  0.841262  0.291575  1
  Ti  Ti8  1  0.910681  0.764559  0.309521  1
  Ti  Ti9  1  0.937836  0.295953  0.363125  1
  Ti  Ti10  1  0.379267  0.424467  0.361388  1
  Ti  Ti11  1  0.375225  0.164391  0.334628  1
  Ti  Ti12  1  0.351850  0.910839  0.301856  1
  Ti  Ti13  1  0.713333  0.106843  0.354403  1
  Ti  Ti14  1  0.711530  0.822779  0.337146  1
  Ti  Ti15  1  0.042621  0.747299  0.357502  1
  Ti  Ti16  1  0.682723  0.574455  0.304394  1
  Ti  Ti17  1  0.016808  0.497218  0.323753  1
  Ti  Ti18  1  1.013360  0.210587  0.305536  1
  Ti  Ti19  1  0.469479  0.631934  0.323998  1
  Ti  Ti20  1  0.455263  0.370429  0.296786  1
  Ti  Ti21  1  0.494665  0.908425  0.347072  1
  Ti  Ti22  1  0.797669  0.316221  0.315340  1
  Ti  Ti23  1  0.793405  0.025382  0.298471  1
  Ti  Ti24  1  0.133394  0.960831  0.321862  1
  Ti  Ti25  1  0.820770  0.560577  0.350711  1
  Ti  Ti26  1  0.138534  0.707938  0.294378  1
  Ti  Ti27  1  0.157114  0.217768  0.350964  1
  Ti  Ti28  1  0.300466  0.485561  0.419775  1
  Ti  Ti29  1  0.292586  0.209843  0.398825  1
  Ti  Ti30  1  0.278163  0.957177  0.368872  1
  Ti  Ti31  1  0.644853  0.144352  0.426645  1
  Ti  Ti32  1  0.628476  0.895885  0.394229  1
  Ti  Ti33  1  0.981734  0.802736  0.429117  1
  Ti  Ti34  1  0.610529  0.617860  0.371655  1
  Ti  Ti35  1  0.956740  0.546139  0.397698  1
  Ti  Ti36  1  0.988640  0.080797  0.449885  1
  Ti  Ti37  1  0.430214  0.199027  0.446114  1
  Ti  Ti38  1  0.414653  0.945876  0.416077  1
  Ti  Ti39  1  0.401098  0.698243  0.385035  1
  Ti  Ti40  1  0.765034  0.882779  0.441212  1
  Ti  Ti41  1  0.746911  0.604046  0.419118  1
  Ti  Ti42  1  0.096221  0.538977  0.444284  1
  Ti  Ti43  1  0.732756  0.351315  0.388539  1
  Ti  Ti44  1  0.074982  0.285962  0.411186  1
  Ti  Ti45  1  0.067718  0.006813  0.389728  1
  Ti  Ti46  1  0.518913  0.411224  0.408753  1
  Ti  Ti47  1  0.509228  0.155349  0.380362  1
  Ti  Ti48  1  0.534616  0.685821  0.431634  1
  Ti  Ti49  1  0.851636  0.091875  0.402340  1
  Ti  Ti50  1  0.843605  0.809725  0.383543  1
  Ti  Ti51  1  0.184349  0.742985  0.404570  1
  Ti  Ti52  1  0.868060  0.340056  0.435740  1
  Ti  Ti53  1  0.157967  0.490160  0.372343  1
  Ti  Ti54  1  0.203527  0.998769  0.436844  1
  Ti  Ti55  1  0.351011  0.268304  0.505832  1
  Ti  Ti56  1  0.341337  0.989477  0.484038  1
  Ti  Ti57  1  0.321093  0.734785  0.452416  1
  Ti  Ti58  1  0.687722  0.923707  0.509753  1
  Ti  Ti59  1  0.671197  0.674001  0.478218  1
  Ti  Ti60  1  0.022292  0.586245  0.512573  1
  Ti  Ti61  1  0.655100  0.397971  0.456148  1
  Ti  Ti62  1  1.006789  0.331620  0.482286  1
  Ti  Ti63  1  0.039170  0.862802  0.535160  1
  Ti  Ti64  1  0.478367  0.979552  0.531477  1
  Ti  Ti65  1  0.459228  0.725253  0.499713  1
  Ti  Ti66  1  0.437772  0.475150  0.467349  1
  Ti  Ti67  1  0.807195  0.663505  0.524990  1
  Ti  Ti68  1  0.793715  0.388313  0.502695  1
  Ti  Ti69  1  0.143046  0.320755  0.529463  1
  Ti  Ti70  1  0.780092  0.132624  0.473411  1
  Ti  Ti71  1  0.127202  0.071525  0.496896  1
  Ti  Ti72  1  0.116742  0.793615  0.475924  1
  Ti  Ti73  1  0.566395  0.187436  0.493440  1
  Ti  Ti74  1  0.552006  0.934869  0.462856  1
  Ti  Ti75  1  0.575496  0.465029  0.514348  1
  Ti  Ti76  1  0.901027  0.872566  0.488301  1
  Ti  Ti77  1  0.886155  0.596332  0.465631  1
  Ti  Ti78  1  0.232806  0.529144  0.491620  1
  Ti  Ti79  1  0.918406  0.123650  0.519935  1
  Ti  Ti80  1  0.214298  0.278355  0.458373  1
  Ti  Ti81  1  0.254080  0.783516  0.522829  1
  Ti  Ti82  1  0.401803  0.050683  0.591292  1
  Ti  Ti83  1  0.391009  0.774101  0.570127  1
  Ti  Ti84  1  0.370527  0.519388  0.538936  1
  Ti  Ti85  1  0.734148  0.706700  0.593810  1
  Ti  Ti86  1  0.711265  0.455856  0.561046  1
  Ti  Ti87  1  0.065373  0.364089  0.596623  1
  Ti  Ti88  1  0.704867  0.178363  0.540203  1
  Ti  Ti89  1  0.055552  0.112033  0.567101  1
  Ti  Ti90  1  0.081930  0.639556  0.618739  1
  Ti  Ti91  1  0.532227  0.769744  0.616924  1
  Ti  Ti92  1  0.507466  0.510867  0.586592  1
  Ti  Ti93  1  0.488482  0.259232  0.552930  1
  Ti  Ti94  1  0.847670  0.446333  0.607047  1
  Ti  Ti95  1  0.841630  0.166447  0.587474  1
  Ti  Ti96  1  0.194234  0.101061  0.614782  1
  Ti  Ti97  1  0.825465  0.914173  0.556094  1
  Ti  Ti98  1  0.175901  0.851455  0.582662  1
  Ti  Ti99  1  0.158659  0.575371  0.559307  1
  Ti  Ti100  1  0.618146  0.972469  0.578512  1
  Ti  Ti101  1  0.595926  0.715702  0.547035  1
  Ti  Ti102  1  0.624869  0.251792  0.599741  1
  Ti  Ti103  1  0.944952  0.653635  0.571611  1
  Ti  Ti104  1  0.929668  0.377368  0.549666  1
  Ti  Ti105  1  0.280113  0.309631  0.576696  1
  Ti  Ti106  1  0.960660  0.902493  0.602641  1
  Ti  Ti107  1  0.264058  0.060346  0.544191  1
  Ti  Ti108  1  0.293177  0.565515  0.605806  1
  Ti  Ti109  1  0.452830  0.830245  0.677118  1
  Ti  Ti110  1  0.432859  0.561829  0.650057  1
  Ti  Ti111  1  0.416998  0.299739  0.624220  1
  Ti  Ti112  1  0.782174  0.490833  0.681244  1
  Ti  Ti113  1  0.763089  0.244762  0.645593  1
  Ti  Ti114  1  0.117870  0.135400  0.681459  1
  Ti  Ti115  1  0.756642  0.961524  0.626449  1
  Ti  Ti116  1  0.095794  0.888054  0.648502  1
  Ti  Ti117  1  0.109285  0.415837  0.699049  1
  Ti  Ti118  1  0.556298  0.552774  0.695736  1
  Ti  Ti119  1  0.556139  0.287097  0.671861  1
  Ti  Ti120  1  0.540204  0.042354  0.637811  1
  Ti  Ti121  1  0.898687  0.228876  0.691400  1
  Ti  Ti122  1  0.894008  0.939561  0.674653  1
  Ti  Ti123  1  0.226734  0.877723  0.693835  1
  Ti  Ti124  1  0.871522  0.693155  0.640205  1
  Ti  Ti125  1  0.221995  0.625701  0.666257  1
  Ti  Ti126  1  0.199769  0.353358  0.643429  1
  Ti  Ti127  1  0.672372  0.758656  0.664801  1
  Ti  Ti128  1  0.646472  0.501412  0.634015  1
  Ti  Ti129  1  0.679174  0.041049  0.683687  1
  Ti  Ti130  1  0.980905  0.433124  0.653225  1
  Ti  Ti131  1  0.977919  0.150499  0.635122  1
  Ti  Ti132  1  0.336689  0.095842  0.662989  1
  Ti  Ti133  1  1.008157  0.680078  0.686769  1
  Ti  Ti134  1  0.314306  0.842467  0.630321  1
  Ti  Ti135  1  0.339707  0.368506  0.688556  1
