# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.14967973
_cell_length_b   12.89860427
_cell_length_c   45.33372711
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   126.00239823
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti180
_cell_volume   7166.58131847
_cell_formula_units_Z   180
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  0.489758  0.019372  0.304060  1
  Ti  Ti2  1  0.156425  0.019372  0.304060  1
  Ti  Ti3  1  0.086831  0.549664  0.291335  1
  Ti  Ti4  1  0.823091  0.019372  0.304060  1
  Ti  Ti5  1  0.753497  0.549664  0.291335  1
  Ti  Ti6  1  0.420164  0.549664  0.291335  1
  Ti  Ti7  1  0.673872  0.285196  0.298315  1
  Ti  Ti8  1  0.340538  0.285196  0.298315  1
  Ti  Ti9  1  0.272332  0.812785  0.285604  1
  Ti  Ti10  1  0.007205  0.285196  0.298315  1
  Ti  Ti11  1  0.938998  0.812785  0.285604  1
  Ti  Ti12  1  0.605665  0.812785  0.285604  1
  Ti  Ti13  1  0.292824  0.963216  0.333661  1
  Ti  Ti14  1  0.959490  0.963216  0.333661  1
  Ti  Ti15  1  0.890307  0.490218  0.318103  1
  Ti  Ti16  1  0.626157  0.963216  0.333661  1
  Ti  Ti17  1  0.556973  0.490218  0.318103  1
  Ti  Ti18  1  0.223640  0.490218  0.318103  1
  Ti  Ti19  1  0.476658  0.224865  0.325016  1
  Ti  Ti20  1  0.143325  0.224865  0.325016  1
  Ti  Ti21  1  0.074903  0.753668  0.311347  1
  Ti  Ti22  1  0.809992  0.224865  0.325016  1
  Ti  Ti23  1  0.741570  0.753668  0.311347  1
  Ti  Ti24  1  0.408237  0.753668  0.311347  1
  Ti  Ti25  1  0.095436  0.902534  0.362868  1
  Ti  Ti26  1  0.762103  0.902534  0.362868  1
  Ti  Ti27  1  0.693158  0.431514  0.348884  1
  Ti  Ti28  1  0.428770  0.902534  0.362868  1
  Ti  Ti29  1  0.359825  0.431514  0.348884  1
  Ti  Ti30  1  0.026491  0.431514  0.348884  1
  Ti  Ti31  1  0.280888  0.167226  0.355967  1
  Ti  Ti32  1  0.947554  0.167226  0.355967  1
  Ti  Ti33  1  0.879581  0.695838  0.342073  1
  Ti  Ti34  1  0.614221  0.167226  0.355967  1
  Ti  Ti35  1  0.546248  0.695838  0.342073  1
  Ti  Ti36  1  0.212915  0.695838  0.342073  1
  Ti  Ti37  1  0.899413  0.844567  0.392883  1
  Ti  Ti38  1  0.566080  0.844567  0.392883  1
  Ti  Ti39  1  0.497071  0.372780  0.377538  1
  Ti  Ti40  1  0.232746  0.844567  0.392883  1
  Ti  Ti41  1  0.163738  0.372780  0.377538  1
  Ti  Ti42  1  0.830404  0.372780  0.377538  1
  Ti  Ti43  1  0.085894  0.109233  0.385217  1
  Ti  Ti44  1  0.752561  0.109233  0.385217  1
  Ti  Ti45  1  0.683524  0.637369  0.370548  1
  Ti  Ti46  1  0.419227  0.109233  0.385217  1
  Ti  Ti47  1  0.350191  0.637369  0.370548  1
  Ti  Ti48  1  0.016858  0.637369  0.370548  1
  Ti  Ti49  1  0.703253  0.785457  0.422405  1
  Ti  Ti50  1  0.369919  0.785457  0.422405  1
  Ti  Ti51  1  0.301209  0.314596  0.407809  1
  Ti  Ti52  1  0.036586  0.785457  0.422405  1
  Ti  Ti53  1  0.967875  0.314596  0.407809  1
  Ti  Ti54  1  0.634542  0.314596  0.407809  1
  Ti  Ti55  1  0.889492  0.049993  0.415040  1
  Ti  Ti56  1  0.556159  0.049993  0.415040  1
  Ti  Ti57  1  0.487683  0.578871  0.400587  1
  Ti  Ti58  1  0.222826  0.049993  0.415040  1
  Ti  Ti59  1  0.154350  0.578871  0.400587  1
  Ti  Ti60  1  0.821017  0.578871  0.400587  1
  Ti  Ti61  1  0.507268  0.726910  0.452238  1
  Ti  Ti62  1  0.173935  0.726910  0.452238  1
  Ti  Ti63  1  0.105229  0.256120  0.437280  1
  Ti  Ti64  1  0.840602  0.726910  0.452238  1
  Ti  Ti65  1  0.771896  0.256120  0.437280  1
  Ti  Ti66  1  0.438563  0.256120  0.437280  1
  Ti  Ti67  1  0.693784  0.991672  0.444756  1
  Ti  Ti68  1  0.360451  0.991672  0.444756  1
  Ti  Ti69  1  0.291548  0.520421  0.429893  1
  Ti  Ti70  1  0.027117  0.991672  0.444756  1
  Ti  Ti71  1  0.958214  0.520421  0.429893  1
  Ti  Ti72  1  0.624881  0.520421  0.429893  1
  Ti  Ti73  1  0.311344  0.668225  0.481845  1
  Ti  Ti74  1  0.978010  0.668225  0.481845  1
  Ti  Ti75  1  0.909284  0.197408  0.467112  1
  Ti  Ti76  1  0.644677  0.668225  0.481845  1
  Ti  Ti77  1  0.575950  0.197408  0.467112  1
  Ti  Ti78  1  0.242617  0.197408  0.467112  1
  Ti  Ti79  1  0.497713  0.932873  0.474454  1
  Ti  Ti80  1  0.164380  0.932873  0.474454  1
  Ti  Ti81  1  0.095681  0.462033  0.459777  1
  Ti  Ti82  1  0.831047  0.932873  0.474454  1
  Ti  Ti83  1  0.762348  0.462033  0.459777  1
  Ti  Ti84  1  0.429015  0.462033  0.459777  1
  Ti  Ti85  1  0.115401  0.609680  0.511644  1
  Ti  Ti86  1  0.782068  0.609680  0.511644  1
  Ti  Ti87  1  0.713321  0.138841  0.496776  1
  Ti  Ti88  1  0.448735  0.609680  0.511644  1
  Ti  Ti89  1  0.379987  0.138841  0.496776  1
  Ti  Ti90  1  0.046654  0.138841  0.496776  1
  Ti  Ti91  1  0.301802  0.874263  0.504194  1
  Ti  Ti92  1  0.968468  0.874263  0.504194  1
  Ti  Ti93  1  0.899721  0.403424  0.489326  1
  Ti  Ti94  1  0.635135  0.874263  0.504194  1
  Ti  Ti95  1  0.566388  0.403424  0.489326  1
  Ti  Ti96  1  0.233054  0.403424  0.489326  1
  Ti  Ti97  1  0.919441  0.551071  0.541193  1
  Ti  Ti98  1  0.586108  0.551071  0.541193  1
  Ti  Ti99  1  0.517409  0.080231  0.526516  1
  Ti  Ti100  1  0.252774  0.551071  0.541193  1
  Ti  Ti101  1  0.184076  0.080231  0.526516  1
  Ti  Ti102  1  0.850742  0.080231  0.526516  1
  Ti  Ti103  1  0.105839  0.815696  0.533858  1
  Ti  Ti104  1  0.772505  0.815696  0.533858  1
  Ti  Ti105  1  0.703779  0.344879  0.519125  1
  Ti  Ti106  1  0.439172  0.815696  0.533858  1
  Ti  Ti107  1  0.370445  0.344879  0.519125  1
  Ti  Ti108  1  0.037112  0.344879  0.519125  1
  Ti  Ti109  1  0.723575  0.492683  0.571077  1
  Ti  Ti110  1  0.390241  0.492683  0.571077  1
  Ti  Ti111  1  0.321338  0.021432  0.556214  1
  Ti  Ti112  1  0.056908  0.492683  0.571077  1
  Ti  Ti113  1  0.988005  0.021432  0.556214  1
  Ti  Ti114  1  0.654672  0.021432  0.556214  1
  Ti  Ti115  1  0.909893  0.756984  0.563690  1
  Ti  Ti116  1  0.576560  0.756984  0.563690  1
  Ti  Ti117  1  0.507854  0.286194  0.548732  1
  Ti  Ti118  1  0.243226  0.756984  0.563690  1
  Ti  Ti119  1  0.174521  0.286194  0.548732  1
  Ti  Ti120  1  0.841187  0.286194  0.548732  1
  Ti  Ti121  1  0.527439  0.434233  0.600383  1
  Ti  Ti122  1  0.194106  0.434233  0.600383  1
  Ti  Ti123  1  0.125630  0.963111  0.585931  1
  Ti  Ti124  1  0.860772  0.434233  0.600383  1
  Ti  Ti125  1  0.792297  0.963111  0.585931  1
  Ti  Ti126  1  0.458963  0.963111  0.585931  1
  Ti  Ti127  1  0.713914  0.698508  0.593161  1
  Ti  Ti128  1  0.380581  0.698508  0.593161  1
  Ti  Ti129  1  0.311870  0.227647  0.578565  1
  Ti  Ti130  1  0.047247  0.698508  0.593161  1
  Ti  Ti131  1  0.978536  0.227647  0.578565  1
  Ti  Ti132  1  0.645203  0.227647  0.578565  1
  Ti  Ti133  1  0.331598  0.375735  0.630422  1
  Ti  Ti134  1  0.998265  0.375735  0.630422  1
  Ti  Ti135  1  0.929228  0.903871  0.615753  1
  Ti  Ti136  1  0.664931  0.375735  0.630422  1
  Ti  Ti137  1  0.595895  0.903871  0.615753  1
  Ti  Ti138  1  0.262562  0.903871  0.615753  1
  Ti  Ti139  1  0.518051  0.640324  0.623432  1
  Ti  Ti140  1  0.184718  0.640324  0.623432  1
  Ti  Ti141  1  0.115709  0.168537  0.608087  1
  Ti  Ti142  1  0.851385  0.640324  0.623432  1
  Ti  Ti143  1  0.782376  0.168537  0.608087  1
  Ti  Ti144  1  0.449043  0.168537  0.608087  1
  Ti  Ti145  1  0.135541  0.317266  0.658897  1
  Ti  Ti146  1  0.802208  0.317266  0.658897  1
  Ti  Ti147  1  0.734235  0.845878  0.645003  1
  Ti  Ti148  1  0.468874  0.317266  0.658897  1
  Ti  Ti149  1  0.400901  0.845878  0.645003  1
  Ti  Ti150  1  0.067568  0.845878  0.645003  1
  Ti  Ti151  1  0.321964  0.581590  0.652086  1
  Ti  Ti152  1  0.988631  0.581590  0.652086  1
  Ti  Ti153  1  0.919686  0.110570  0.638102  1
  Ti  Ti154  1  0.655298  0.581590  0.652086  1
  Ti  Ti155  1  0.586353  0.110570  0.638102  1
  Ti  Ti156  1  0.253019  0.110570  0.638102  1
  Ti  Ti157  1  0.940219  0.259436  0.689623  1
  Ti  Ti158  1  0.606886  0.259436  0.689623  1
  Ti  Ti159  1  0.538464  0.788239  0.675954  1
  Ti  Ti160  1  0.273552  0.259436  0.689623  1
  Ti  Ti161  1  0.205131  0.788239  0.675954  1
  Ti  Ti162  1  0.871797  0.788239  0.675954  1
  Ti  Ti163  1  0.124816  0.522886  0.682867  1
  Ti  Ti164  1  0.791482  0.522886  0.682867  1
  Ti  Ti165  1  0.722299  0.049888  0.667309  1
  Ti  Ti166  1  0.458149  0.522886  0.682867  1
  Ti  Ti167  1  0.388965  0.049888  0.667309  1
  Ti  Ti168  1  0.055632  0.049888  0.667309  1
  Ti  Ti169  1  0.742791  0.200319  0.715366  1
  Ti  Ti170  1  0.409457  0.200319  0.715366  1
  Ti  Ti171  1  0.341251  0.727908  0.702655  1
  Ti  Ti172  1  0.076124  0.200319  0.715366  1
  Ti  Ti173  1  0.007917  0.727908  0.702655  1
  Ti  Ti174  1  0.674584  0.727908  0.702655  1
  Ti  Ti175  1  0.928292  0.463440  0.709635  1
  Ti  Ti176  1  0.594958  0.463440  0.709635  1
  Ti  Ti177  1  0.525364  0.993732  0.696910  1
  Ti  Ti178  1  0.261625  0.463440  0.709635  1
  Ti  Ti179  1  0.192031  0.993732  0.696910  1
  Ti  Ti180  1  0.858698  0.993732  0.696910  1
