# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.50908850
_cell_length_b   15.19546685
_cell_length_c   48.23155841
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.19509413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti288
_cell_volume   11336.173099
_cell_formula_units_Z   288
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  0.278756  0.861013  0.300461  1
  Ti  Ti2  1  0.288732  0.501751  0.317027  1
  Ti  Ti3  1  0.444039  0.551219  0.284359  1
  Ti  Ti4  1  0.612089  0.527680  0.300461  1
  Ti  Ti5  1  0.277372  0.217886  0.284359  1
  Ti  Ti6  1  0.445423  0.194347  0.300461  1
  Ti  Ti7  1  0.455398  0.835084  0.317027  1
  Ti  Ti8  1  0.610706  0.884552  0.284359  1
  Ti  Ti9  1  0.778756  0.861013  0.300461  1
  Ti  Ti10  1  0.788732  0.501751  0.317027  1
  Ti  Ti11  1  0.944039  0.551219  0.284359  1
  Ti  Ti12  1  0.112089  0.527680  0.300461  1
  Ti  Ti13  1  0.622065  0.168418  0.317027  1
  Ti  Ti14  1  0.777372  0.217886  0.284359  1
  Ti  Ti15  1  0.945423  0.194347  0.300461  1
  Ti  Ti16  1  0.955398  0.835084  0.317027  1
  Ti  Ti17  1  0.110706  0.884552  0.284359  1
  Ti  Ti18  1  0.122065  0.168418  0.317027  1
  Ti  Ti19  1  0.233294  0.679526  0.311059  1
  Ti  Ti20  1  0.242767  0.321415  0.329320  1
  Ti  Ti21  1  0.392348  0.370242  0.293923  1
  Ti  Ti22  1  0.566628  0.346193  0.311059  1
  Ti  Ti23  1  0.225682  0.036909  0.293923  1
  Ti  Ti24  1  0.399961  0.012859  0.311059  1
  Ti  Ti25  1  0.409434  0.654749  0.329320  1
  Ti  Ti26  1  0.559015  0.703576  0.293923  1
  Ti  Ti27  1  0.733294  0.679526  0.311059  1
  Ti  Ti28  1  0.742767  0.321415  0.329320  1
  Ti  Ti29  1  0.892348  0.370242  0.293923  1
  Ti  Ti30  1  0.066628  0.346193  0.311059  1
  Ti  Ti31  1  0.576100  0.988082  0.329320  1
  Ti  Ti32  1  0.725682  0.036909  0.293923  1
  Ti  Ti33  1  0.899961  0.012859  0.311059  1
  Ti  Ti34  1  0.909434  0.654749  0.329320  1
  Ti  Ti35  1  0.059015  0.703576  0.293923  1
  Ti  Ti36  1  0.076100  0.988082  0.329320  1
  Ti  Ti37  1  0.309195  0.788500  0.354642  1
  Ti  Ti38  1  0.319508  0.430558  0.372747  1
  Ti  Ti39  1  0.465889  0.479197  0.336450  1
  Ti  Ti40  1  0.642528  0.455167  0.354642  1
  Ti  Ti41  1  0.299223  0.145864  0.336450  1
  Ti  Ti42  1  0.475861  0.121833  0.354642  1
  Ti  Ti43  1  0.486175  0.763891  0.372747  1
  Ti  Ti44  1  0.632556  0.812530  0.336450  1
  Ti  Ti45  1  0.809195  0.788500  0.354642  1
  Ti  Ti46  1  0.819508  0.430558  0.372747  1
  Ti  Ti47  1  0.965889  0.479197  0.336450  1
  Ti  Ti48  1  0.142528  0.455167  0.354642  1
  Ti  Ti49  1  0.652841  0.097224  0.372747  1
  Ti  Ti50  1  0.799223  0.145864  0.336450  1
  Ti  Ti51  1  0.975861  0.121833  0.354642  1
  Ti  Ti52  1  0.986175  0.763891  0.372747  1
  Ti  Ti53  1  0.132556  0.812530  0.336450  1
  Ti  Ti54  1  0.152841  0.097224  0.372747  1
  Ti  Ti55  1  0.262202  0.605525  0.365745  1
  Ti  Ti56  1  0.272059  0.248245  0.385067  1
  Ti  Ti57  1  0.418978  0.296838  0.347450  1
  Ti  Ti58  1  0.595535  0.272191  0.365745  1
  Ti  Ti59  1  0.252312  0.963504  0.347450  1
  Ti  Ti60  1  0.428869  0.938858  0.365745  1
  Ti  Ti61  1  0.438726  0.581578  0.385067  1
  Ti  Ti62  1  0.585645  0.630171  0.347450  1
  Ti  Ti63  1  0.762202  0.605525  0.365745  1
  Ti  Ti64  1  0.772059  0.248245  0.385067  1
  Ti  Ti65  1  0.918978  0.296838  0.347450  1
  Ti  Ti66  1  0.095535  0.272191  0.365745  1
  Ti  Ti67  1  0.605392  0.914912  0.385067  1
  Ti  Ti68  1  0.752312  0.963504  0.347450  1
  Ti  Ti69  1  0.928869  0.938858  0.365745  1
  Ti  Ti70  1  0.938726  0.581578  0.385067  1
  Ti  Ti71  1  0.085645  0.630171  0.347450  1
  Ti  Ti72  1  0.105392  0.914912  0.385067  1
  Ti  Ti73  1  0.339776  0.714923  0.410055  1
  Ti  Ti74  1  0.349996  0.357762  0.428727  1
  Ti  Ti75  1  0.496459  0.405692  0.391622  1
  Ti  Ti76  1  0.673109  0.381589  0.410055  1
  Ti  Ti77  1  0.329792  0.072359  0.391622  1
  Ti  Ti78  1  0.506442  0.048256  0.410055  1
  Ti  Ti79  1  0.516663  0.691096  0.428727  1
  Ti  Ti80  1  0.663126  0.739025  0.391622  1
  Ti  Ti81  1  0.839776  0.714923  0.410055  1
  Ti  Ti82  1  0.849996  0.357762  0.428727  1
  Ti  Ti83  1  0.996459  0.405692  0.391622  1
  Ti  Ti84  1  0.173109  0.381589  0.410055  1
  Ti  Ti85  1  0.683329  0.024429  0.428727  1
  Ti  Ti86  1  0.829792  0.072359  0.391622  1
  Ti  Ti87  1  0.006442  0.048256  0.410055  1
  Ti  Ti88  1  0.016663  0.691096  0.428727  1
  Ti  Ti89  1  0.163126  0.739025  0.391622  1
  Ti  Ti90  1  0.183329  0.024429  0.428727  1
  Ti  Ti91  1  0.291945  0.532644  0.422125  1
  Ti  Ti92  1  0.302220  0.175100  0.440873  1
  Ti  Ti93  1  0.448714  0.223793  0.403633  1
  Ti  Ti94  1  0.625278  0.199311  0.422125  1
  Ti  Ti95  1  0.282047  0.890459  0.403633  1
  Ti  Ti96  1  0.458611  0.865977  0.422125  1
  Ti  Ti97  1  0.468886  0.508433  0.440873  1
  Ti  Ti98  1  0.615381  0.557126  0.403633  1
  Ti  Ti99  1  0.791945  0.532644  0.422125  1
  Ti  Ti100  1  0.802220  0.175100  0.440873  1
  Ti  Ti101  1  0.948714  0.223793  0.403633  1
  Ti  Ti102  1  0.125278  0.199311  0.422125  1
  Ti  Ti103  1  0.635553  0.841766  0.440873  1
  Ti  Ti104  1  0.782047  0.890459  0.403633  1
  Ti  Ti105  1  0.958611  0.865977  0.422125  1
  Ti  Ti106  1  0.968886  0.508433  0.440873  1
  Ti  Ti107  1  0.115381  0.557126  0.403633  1
  Ti  Ti108  1  0.135553  0.841766  0.440873  1
  Ti  Ti109  1  0.370282  0.642294  0.465881  1
  Ti  Ti110  1  0.380463  0.284800  0.484534  1
  Ti  Ti111  1  0.526836  0.333284  0.447367  1
  Ti  Ti112  1  0.703616  0.308960  0.465881  1
  Ti  Ti113  1  0.360170  0.999951  0.447367  1
  Ti  Ti114  1  0.536949  0.975627  0.465881  1
  Ti  Ti115  1  0.547130  0.618133  0.484534  1
  Ti  Ti116  1  0.693503  0.666618  0.447367  1
  Ti  Ti117  1  0.870282  0.642294  0.465881  1
  Ti  Ti118  1  0.880463  0.284800  0.484534  1
  Ti  Ti119  1  0.026836  0.333284  0.447367  1
  Ti  Ti120  1  0.203616  0.308960  0.465881  1
  Ti  Ti121  1  0.713797  0.951467  0.484534  1
  Ti  Ti122  1  0.860170  0.999951  0.447367  1
  Ti  Ti123  1  0.036949  0.975627  0.465881  1
  Ti  Ti124  1  0.047130  0.618133  0.484534  1
  Ti  Ti125  1  0.193503  0.666618  0.447367  1
  Ti  Ti126  1  0.213797  0.951467  0.484534  1
  Ti  Ti127  1  0.322445  0.459828  0.478093  1
  Ti  Ti128  1  0.332628  0.102253  0.496709  1
  Ti  Ti129  1  0.479023  0.150714  0.459454  1
  Ti  Ti130  1  0.655778  0.126495  0.478093  1
  Ti  Ti131  1  0.312356  0.817380  0.459454  1
  Ti  Ti132  1  0.489111  0.793161  0.478093  1
  Ti  Ti133  1  0.499295  0.435586  0.496709  1
  Ti  Ti134  1  0.645689  0.484047  0.459454  1
  Ti  Ti135  1  0.822445  0.459828  0.478093  1
  Ti  Ti136  1  0.832628  0.102253  0.496709  1
  Ti  Ti137  1  0.979023  0.150714  0.459454  1
  Ti  Ti138  1  0.155778  0.126495  0.478093  1
  Ti  Ti139  1  0.665961  0.768920  0.496709  1
  Ti  Ti140  1  0.812356  0.817380  0.459454  1
  Ti  Ti141  1  0.989111  0.793161  0.478093  1
  Ti  Ti142  1  0.999295  0.435586  0.496709  1
  Ti  Ti143  1  0.145689  0.484047  0.459454  1
  Ti  Ti144  1  0.165961  0.768920  0.496709  1
  Ti  Ti145  1  0.400783  0.569538  0.521745  1
  Ti  Ti146  1  0.410872  0.211986  0.540384  1
  Ti  Ti147  1  0.557266  0.260446  0.503129  1
  Ti  Ti148  1  0.734117  0.236205  0.521745  1
  Ti  Ti149  1  0.390600  0.927113  0.503129  1
  Ti  Ti150  1  0.567450  0.902871  0.521745  1
  Ti  Ti151  1  0.577538  0.545319  0.540384  1
  Ti  Ti152  1  0.723933  0.593780  0.503129  1
  Ti  Ti153  1  0.900783  0.569538  0.521745  1
  Ti  Ti154  1  0.910872  0.211986  0.540384  1
  Ti  Ti155  1  0.057266  0.260446  0.503129  1
  Ti  Ti156  1  0.234117  0.236205  0.521745  1
  Ti  Ti157  1  0.744205  0.878652  0.540384  1
  Ti  Ti158  1  0.890600  0.927113  0.503129  1
  Ti  Ti159  1  0.067450  0.902871  0.521745  1
  Ti  Ti160  1  0.077538  0.545319  0.540384  1
  Ti  Ti161  1  0.223933  0.593780  0.503129  1
  Ti  Ti162  1  0.244205  0.878652  0.540384  1
  Ti  Ti163  1  0.352945  0.387072  0.533956  1
  Ti  Ti164  1  0.363058  0.029415  0.552471  1
  Ti  Ti165  1  0.509431  0.077899  0.515304  1
  Ti  Ti166  1  0.686279  0.053739  0.533956  1
  Ti  Ti167  1  0.342764  0.744566  0.515304  1
  Ti  Ti168  1  0.519612  0.720406  0.533956  1
  Ti  Ti169  1  0.529725  0.362748  0.552471  1
  Ti  Ti170  1  0.676098  0.411233  0.515304  1
  Ti  Ti171  1  0.852945  0.387072  0.533956  1
  Ti  Ti172  1  0.863058  0.029415  0.552471  1
  Ti  Ti173  1  0.009431  0.077899  0.515304  1
  Ti  Ti174  1  0.186279  0.053739  0.533956  1
  Ti  Ti175  1  0.696391  0.696082  0.552471  1
  Ti  Ti176  1  0.842764  0.744566  0.515304  1
  Ti  Ti177  1  0.019612  0.720406  0.533956  1
  Ti  Ti178  1  0.029725  0.362748  0.552471  1
  Ti  Ti179  1  0.176098  0.411233  0.515304  1
  Ti  Ti180  1  0.196391  0.696082  0.552471  1
  Ti  Ti181  1  0.431283  0.496722  0.577713  1
  Ti  Ti182  1  0.441180  0.138907  0.596204  1
  Ti  Ti183  1  0.587675  0.187600  0.558965  1
  Ti  Ti184  1  0.764616  0.163389  0.577713  1
  Ti  Ti185  1  0.421008  0.854266  0.558965  1
  Ti  Ti186  1  0.597950  0.830055  0.577713  1
  Ti  Ti187  1  0.607847  0.472240  0.596204  1
  Ti  Ti188  1  0.754341  0.520933  0.558965  1
  Ti  Ti189  1  0.931283  0.496722  0.577713  1
  Ti  Ti190  1  0.941180  0.138907  0.596204  1
  Ti  Ti191  1  0.087675  0.187600  0.558965  1
  Ti  Ti192  1  0.264616  0.163389  0.577713  1
  Ti  Ti193  1  0.774514  0.805573  0.596204  1
  Ti  Ti194  1  0.921008  0.854266  0.558965  1
  Ti  Ti195  1  0.097950  0.830055  0.577713  1
  Ti  Ti196  1  0.107847  0.472240  0.596204  1
  Ti  Ti197  1  0.254341  0.520933  0.558965  1
  Ti  Ti198  1  0.274514  0.805573  0.596204  1
  Ti  Ti199  1  0.383452  0.314443  0.589782  1
  Ti  Ti200  1  0.393435  0.957007  0.608215  1
  Ti  Ti201  1  0.539898  0.004937  0.571111  1
  Ti  Ti202  1  0.716785  0.981110  0.589782  1
  Ti  Ti203  1  0.373232  0.671604  0.571111  1
  Ti  Ti204  1  0.550119  0.647777  0.589782  1
  Ti  Ti205  1  0.560102  0.290341  0.608215  1
  Ti  Ti206  1  0.706565  0.338270  0.571111  1
  Ti  Ti207  1  0.883452  0.314443  0.589782  1
  Ti  Ti208  1  0.893435  0.957007  0.608215  1
  Ti  Ti209  1  0.039898  0.004937  0.571111  1
  Ti  Ti210  1  0.216785  0.981110  0.589782  1
  Ti  Ti211  1  0.726769  0.623674  0.608215  1
  Ti  Ti212  1  0.873232  0.671604  0.571111  1
  Ti  Ti213  1  0.050119  0.647777  0.589782  1
  Ti  Ti214  1  0.060102  0.290341  0.608215  1
  Ti  Ti215  1  0.206565  0.338270  0.571111  1
  Ti  Ti216  1  0.226769  0.623674  0.608215  1
  Ti  Ti217  1  0.461026  0.423841  0.634093  1
  Ti  Ti218  1  0.470916  0.065862  0.652388  1
  Ti  Ti219  1  0.617836  0.114454  0.614770  1
  Ti  Ti220  1  0.794359  0.090508  0.634093  1
  Ti  Ti221  1  0.451169  0.781121  0.614770  1
  Ti  Ti222  1  0.627692  0.757175  0.634093  1
  Ti  Ti223  1  0.637583  0.399195  0.652388  1
  Ti  Ti224  1  0.784502  0.447788  0.614770  1
  Ti  Ti225  1  0.961026  0.423841  0.634093  1
  Ti  Ti226  1  0.970916  0.065862  0.652388  1
  Ti  Ti227  1  0.117836  0.114454  0.614770  1
  Ti  Ti228  1  0.294359  0.090508  0.634093  1
  Ti  Ti229  1  0.804249  0.732528  0.652388  1
  Ti  Ti230  1  0.951169  0.781121  0.614770  1
  Ti  Ti231  1  0.127692  0.757175  0.634093  1
  Ti  Ti232  1  0.137583  0.399195  0.652388  1
  Ti  Ti233  1  0.284502  0.447788  0.614770  1
  Ti  Ti234  1  0.304249  0.732528  0.652388  1
  Ti  Ti235  1  0.414033  0.240866  0.645196  1
  Ti  Ti236  1  0.424005  0.883502  0.663388  1
  Ti  Ti237  1  0.570386  0.932142  0.627090  1
  Ti  Ti238  1  0.747366  0.907533  0.645196  1
  Ti  Ti239  1  0.403720  0.598808  0.627090  1
  Ti  Ti240  1  0.580700  0.574199  0.645196  1
  Ti  Ti241  1  0.590672  0.216836  0.663388  1
  Ti  Ti242  1  0.737053  0.265475  0.627090  1
  Ti  Ti243  1  0.914033  0.240866  0.645196  1
  Ti  Ti244  1  0.924005  0.883502  0.663388  1
  Ti  Ti245  1  0.070386  0.932142  0.627090  1
  Ti  Ti246  1  0.247366  0.907533  0.645196  1
  Ti  Ti247  1  0.757338  0.550169  0.663388  1
  Ti  Ti248  1  0.903720  0.598808  0.627090  1
  Ti  Ti249  1  0.080700  0.574199  0.645196  1
  Ti  Ti250  1  0.090672  0.216836  0.663388  1
  Ti  Ti251  1  0.237053  0.265475  0.627090  1
  Ti  Ti252  1  0.257338  0.550169  0.663388  1
  Ti  Ti253  1  0.489933  0.349840  0.688779  1
  Ti  Ti254  1  0.497546  0.992457  0.705915  1
  Ti  Ti255  1  0.647128  0.041284  0.670518  1
  Ti  Ti256  1  0.823267  0.016507  0.688779  1
  Ti  Ti257  1  0.480461  0.707951  0.670518  1
  Ti  Ti258  1  0.656600  0.683173  0.688779  1
  Ti  Ti259  1  0.664213  0.325790  0.705915  1
  Ti  Ti260  1  0.813794  0.374617  0.670518  1
  Ti  Ti261  1  0.989933  0.349840  0.688779  1
  Ti  Ti262  1  0.997546  0.992457  0.705915  1
  Ti  Ti263  1  0.147128  0.041284  0.670518  1
  Ti  Ti264  1  0.323267  0.016507  0.688779  1
  Ti  Ti265  1  0.830879  0.659124  0.705915  1
  Ti  Ti266  1  0.980461  0.707951  0.670518  1
  Ti  Ti267  1  0.156600  0.683173  0.688779  1
  Ti  Ti268  1  0.164213  0.325790  0.705915  1
  Ti  Ti269  1  0.313794  0.374617  0.670518  1
  Ti  Ti270  1  0.330879  0.659124  0.705915  1
  Ti  Ti271  1  0.444472  0.168353  0.699377  1
  Ti  Ti272  1  0.445855  0.811480  0.715479  1
  Ti  Ti273  1  0.601163  0.860948  0.682811  1
  Ti  Ti274  1  0.777805  0.835019  0.699377  1
  Ti  Ti275  1  0.434496  0.527615  0.682811  1
  Ti  Ti276  1  0.611138  0.501686  0.699377  1
  Ti  Ti277  1  0.612522  0.144814  0.715479  1
  Ti  Ti278  1  0.767829  0.194282  0.682811  1
  Ti  Ti279  1  0.944472  0.168353  0.699377  1
  Ti  Ti280  1  0.945855  0.811480  0.715479  1
  Ti  Ti281  1  0.101163  0.860948  0.682811  1
  Ti  Ti282  1  0.277805  0.835019  0.699377  1
  Ti  Ti283  1  0.779189  0.478147  0.715479  1
  Ti  Ti284  1  0.934496  0.527615  0.682811  1
  Ti  Ti285  1  0.111138  0.501686  0.699377  1
  Ti  Ti286  1  0.112522  0.144814  0.715479  1
  Ti  Ti287  1  0.267829  0.194282  0.682811  1
  Ti  Ti288  1  0.279189  0.478147  0.715479  1
