# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21864316
_cell_length_b   15.30335575
_cell_length_c   46.48451772
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.54430452
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti168
_cell_volume   6850.39670233
_cell_formula_units_Z   168
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  0.116054  0.552942  0.297421  1
  Ti  Ti2  1  0.616054  0.552942  0.297421  1
  Ti  Ti3  1  0.534112  0.895182  0.288346  1
  Ti  Ti4  1  0.695445  0.210980  0.306924  1
  Ti  Ti5  1  0.034112  0.895182  0.288346  1
  Ti  Ti6  1  0.195445  0.210980  0.306924  1
  Ti  Ti7  1  0.021166  0.710958  0.306918  1
  Ti  Ti8  1  0.521166  0.710958  0.306918  1
  Ti  Ti9  1  0.442545  0.052882  0.297418  1
  Ti  Ti10  1  0.866711  0.395212  0.288343  1
  Ti  Ti11  1  0.942545  0.052882  0.297418  1
  Ti  Ti12  1  0.366711  0.395212  0.288343  1
  Ti  Ti13  1  0.853171  0.531588  0.327894  1
  Ti  Ti14  1  0.353171  0.531588  0.327894  1
  Ti  Ti15  1  0.272416  0.870097  0.316803  1
  Ti  Ti16  1  0.433660  0.191834  0.337756  1
  Ti  Ti17  1  0.772416  0.870097  0.316803  1
  Ti  Ti18  1  0.933660  0.191834  0.337756  1
  Ti  Ti19  1  0.763849  0.691848  0.337759  1
  Ti  Ti20  1  0.263849  0.691848  0.337759  1
  Ti  Ti21  1  0.184072  0.031604  0.327892  1
  Ti  Ti22  1  0.603295  0.370102  0.316791  1
  Ti  Ti23  1  0.684072  0.031604  0.327892  1
  Ti  Ti24  1  0.103295  0.370102  0.316791  1
  Ti  Ti25  1  0.592136  0.509979  0.358380  1
  Ti  Ti26  1  0.092136  0.509979  0.358380  1
  Ti  Ti27  1  0.012707  0.850645  0.348531  1
  Ti  Ti28  1  0.171579  0.170035  0.368919  1
  Ti  Ti29  1  0.512707  0.850645  0.348531  1
  Ti  Ti30  1  0.671579  0.170035  0.368919  1
  Ti  Ti31  1  0.504110  0.670035  0.368914  1
  Ti  Ti32  1  0.004110  0.670035  0.368914  1
  Ti  Ti33  1  0.923498  0.009976  0.358379  1
  Ti  Ti34  1  0.343595  0.350643  0.348528  1
  Ti  Ti35  1  0.423498  0.009976  0.358379  1
  Ti  Ti36  1  0.843595  0.350643  0.348528  1
  Ti  Ti37  1  0.331416  0.489332  0.389997  1
  Ti  Ti38  1  0.831416  0.489332  0.389997  1
  Ti  Ti39  1  0.751513  0.829725  0.379421  1
  Ti  Ti40  1  0.911139  0.148897  0.400282  1
  Ti  Ti41  1  0.251513  0.829725  0.379421  1
  Ti  Ti42  1  0.411139  0.148897  0.400282  1
  Ti  Ti43  1  0.243416  0.648894  0.400279  1
  Ti  Ti44  1  0.743416  0.648894  0.400279  1
  Ti  Ti45  1  0.663578  0.989336  0.389995  1
  Ti  Ti46  1  0.083870  0.329726  0.379414  1
  Ti  Ti47  1  0.163578  0.989336  0.389995  1
  Ti  Ti48  1  0.583870  0.329726  0.379414  1
  Ti  Ti49  1  0.070811  0.468275  0.421271  1
  Ti  Ti50  1  0.570811  0.468275  0.421271  1
  Ti  Ti51  1  0.490832  0.808477  0.410927  1
  Ti  Ti52  1  0.650574  0.127946  0.431743  1
  Ti  Ti53  1  0.990832  0.808477  0.410927  1
  Ti  Ti54  1  0.150574  0.127946  0.431743  1
  Ti  Ti55  1  0.983038  0.627948  0.431739  1
  Ti  Ti56  1  0.483038  0.627948  0.431739  1
  Ti  Ti57  1  0.403128  0.968279  0.421268  1
  Ti  Ti58  1  0.823306  0.308480  0.410923  1
  Ti  Ti59  1  0.903128  0.968279  0.421268  1
  Ti  Ti60  1  0.323306  0.308480  0.410923  1
  Ti  Ti61  1  0.810277  0.447272  0.452684  1
  Ti  Ti62  1  0.310277  0.447272  0.452684  1
  Ti  Ti63  1  0.230430  0.787582  0.442196  1
  Ti  Ti64  1  0.390098  0.106960  0.463089  1
  Ti  Ti65  1  0.730430  0.787582  0.442196  1
  Ti  Ti66  1  0.890098  0.106960  0.463089  1
  Ti  Ti67  1  0.722532  0.606960  0.463085  1
  Ti  Ti68  1  0.222532  0.606960  0.463085  1
  Ti  Ti69  1  0.142664  0.947274  0.452681  1
  Ti  Ti70  1  0.562820  0.287585  0.442192  1
  Ti  Ti71  1  0.642664  0.947274  0.452681  1
  Ti  Ti72  1  0.062820  0.287585  0.442192  1
  Ti  Ti73  1  0.549784  0.426282  0.484019  1
  Ti  Ti74  1  0.049784  0.426282  0.484019  1
  Ti  Ti75  1  0.969925  0.766589  0.473605  1
  Ti  Ti76  1  0.129599  0.085956  0.494489  1
  Ti  Ti77  1  0.469925  0.766589  0.473605  1
  Ti  Ti78  1  0.629599  0.085956  0.494489  1
  Ti  Ti79  1  0.462033  0.585958  0.494485  1
  Ti  Ti80  1  0.962033  0.585958  0.494485  1
  Ti  Ti81  1  0.882172  0.926284  0.484016  1
  Ti  Ti82  1  0.302336  0.266591  0.473601  1
  Ti  Ti83  1  0.382172  0.926284  0.484016  1
  Ti  Ti84  1  0.802336  0.266591  0.473601  1
  Ti  Ti85  1  0.289291  0.405292  0.515413  1
  Ti  Ti86  1  0.789291  0.405292  0.515413  1
  Ti  Ti87  1  0.709431  0.745618  0.504944  1
  Ti  Ti88  1  0.869127  0.064985  0.525828  1
  Ti  Ti89  1  0.209431  0.745618  0.504944  1
  Ti  Ti90  1  0.369127  0.064985  0.525828  1
  Ti  Ti91  1  0.201539  0.564987  0.525824  1
  Ti  Ti92  1  0.701539  0.564987  0.525824  1
  Ti  Ti93  1  0.621680  0.905295  0.515410  1
  Ti  Ti94  1  0.041864  0.245620  0.504940  1
  Ti  Ti95  1  0.121680  0.905295  0.515410  1
  Ti  Ti96  1  0.541864  0.245620  0.504940  1
  Ti  Ti97  1  0.028800  0.384303  0.546747  1
  Ti  Ti98  1  0.528800  0.384303  0.546747  1
  Ti  Ti99  1  0.448932  0.724616  0.536344  1
  Ti  Ti100  1  0.608644  0.043992  0.557237  1
  Ti  Ti101  1  0.948932  0.724616  0.536344  1
  Ti  Ti102  1  0.108644  0.043992  0.557237  1
  Ti  Ti103  1  0.941033  0.543994  0.557233  1
  Ti  Ti104  1  0.441033  0.543994  0.557233  1
  Ti  Ti105  1  0.361187  0.884305  0.546745  1
  Ti  Ti106  1  0.781365  0.224617  0.536340  1
  Ti  Ti107  1  0.861187  0.884305  0.546745  1
  Ti  Ti108  1  0.281365  0.224617  0.536340  1
  Ti  Ti109  1  0.768335  0.363297  0.578161  1
  Ti  Ti110  1  0.268335  0.363297  0.578161  1
  Ti  Ti111  1  0.188425  0.703629  0.567690  1
  Ti  Ti112  1  0.348157  0.023097  0.588506  1
  Ti  Ti113  1  0.688425  0.703629  0.567690  1
  Ti  Ti114  1  0.848157  0.023097  0.588506  1
  Ti  Ti115  1  0.680632  0.523100  0.588502  1
  Ti  Ti116  1  0.180632  0.523100  0.588502  1
  Ti  Ti117  1  0.100653  0.863302  0.578158  1
  Ti  Ti118  1  0.520890  0.203631  0.567686  1
  Ti  Ti119  1  0.600653  0.863302  0.578158  1
  Ti  Ti120  1  0.020890  0.203631  0.567686  1
  Ti  Ti121  1  0.507886  0.342241  0.609434  1
  Ti  Ti122  1  0.007886  0.342241  0.609434  1
  Ti  Ti123  1  0.928048  0.682683  0.599150  1
  Ti  Ti124  1  0.087594  0.001851  0.620015  1
  Ti  Ti125  1  0.428048  0.682683  0.599150  1
  Ti  Ti126  1  0.587594  0.001851  0.620015  1
  Ti  Ti127  1  0.419950  0.501852  0.620007  1
  Ti  Ti128  1  0.919950  0.501852  0.620007  1
  Ti  Ti129  1  0.840047  0.842244  0.609432  1
  Ti  Ti130  1  0.260324  0.182680  0.599147  1
  Ti  Ti131  1  0.340047  0.842244  0.609432  1
  Ti  Ti132  1  0.760324  0.182680  0.599147  1
  Ti  Ti133  1  0.247966  0.321601  0.641050  1
  Ti  Ti134  1  0.747966  0.321601  0.641050  1
  Ti  Ti135  1  0.667354  0.661541  0.630514  1
  Ti  Ti136  1  0.827869  0.980934  0.650901  1
  Ti  Ti137  1  0.167354  0.661541  0.630514  1
  Ti  Ti138  1  0.327869  0.980934  0.650901  1
  Ti  Ti139  1  0.158757  0.480931  0.650898  1
  Ti  Ti140  1  0.658757  0.480931  0.650898  1
  Ti  Ti141  1  0.579328  0.821597  0.641049  1
  Ti  Ti142  1  0.999885  0.161542  0.630510  1
  Ti  Ti143  1  0.079328  0.821597  0.641049  1
  Ti  Ti144  1  0.499885  0.161542  0.630510  1
  Ti  Ti145  1  0.987392  0.299973  0.671537  1
  Ti  Ti146  1  0.487392  0.299973  0.671537  1
  Ti  Ti147  1  0.407614  0.639729  0.661670  1
  Ti  Ti148  1  0.568169  0.961474  0.682638  1
  Ti  Ti149  1  0.907614  0.639729  0.661670  1
  Ti  Ti150  1  0.068169  0.961474  0.682638  1
  Ti  Ti151  1  0.899048  0.461480  0.682626  1
  Ti  Ti152  1  0.399048  0.461480  0.682626  1
  Ti  Ti153  1  0.318292  0.799989  0.671535  1
  Ti  Ti154  1  0.737804  0.139743  0.661673  1
  Ti  Ti155  1  0.818292  0.799989  0.671535  1
  Ti  Ti156  1  0.237804  0.139743  0.661673  1
  Ti  Ti157  1  0.728919  0.278695  0.702011  1
  Ti  Ti158  1  0.228919  0.278695  0.702011  1
  Ti  Ti159  1  0.150297  0.620618  0.692511  1
  Ti  Ti160  1  0.304753  0.936365  0.711086  1
  Ti  Ti161  1  0.650297  0.620618  0.692511  1
  Ti  Ti162  1  0.804753  0.936365  0.711086  1
  Ti  Ti163  1  0.637352  0.436395  0.711083  1
  Ti  Ti164  1  0.137352  0.436395  0.711083  1
  Ti  Ti165  1  0.055409  0.778635  0.702008  1
  Ti  Ti166  1  0.476018  0.120597  0.692504  1
  Ti  Ti167  1  0.555409  0.778635  0.702008  1
  Ti  Ti168  1  0.976018  0.120597  0.692504  1
