# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.81424233
_cell_length_b   11.80559155
_cell_length_c   47.82284340
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti162
_cell_volume   6346.45764035
_cell_formula_units_Z   162
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  0.684825  0.020250  0.282844  1
  Ti  Ti2  1  0.018159  0.686916  0.282844  1
  Ti  Ti3  1  0.932664  0.934666  0.311536  1
  Ti  Ti4  1  0.311279  0.980050  0.297244  1
  Ti  Ti5  1  0.644612  0.646717  0.297244  1
  Ti  Ti6  1  0.977945  0.313384  0.297244  1
  Ti  Ti7  1  0.351492  0.353583  0.282844  1
  Ti  Ti8  1  0.265997  0.601332  0.311536  1
  Ti  Ti9  1  0.599331  0.267999  0.311536  1
  Ti  Ti10  1  0.831794  0.167224  0.289723  1
  Ti  Ti11  1  0.165127  0.833891  0.289723  1
  Ti  Ti12  1  0.078899  0.080906  0.319375  1
  Ti  Ti13  1  0.455484  0.124146  0.304615  1
  Ti  Ti14  1  0.788817  0.790812  0.304615  1
  Ti  Ti15  1  0.122151  0.457479  0.304615  1
  Ti  Ti16  1  0.498461  0.500558  0.289723  1
  Ti  Ti17  1  0.412233  0.747573  0.319375  1
  Ti  Ti18  1  0.745566  0.414240  0.319375  1
  Ti  Ti19  1  0.560854  0.896100  0.327326  1
  Ti  Ti20  1  0.894187  0.562767  0.327326  1
  Ti  Ti21  1  0.817224  0.818998  0.362769  1
  Ti  Ti22  1  0.191626  0.860180  0.346859  1
  Ti  Ti23  1  0.524959  0.526847  0.346859  1
  Ti  Ti24  1  0.858292  0.193514  0.346859  1
  Ti  Ti25  1  0.227520  0.229434  0.327326  1
  Ti  Ti26  1  0.150557  0.485665  0.362769  1
  Ti  Ti27  1  0.483890  0.152331  0.362769  1
  Ti  Ti28  1  0.710555  0.045773  0.339188  1
  Ti  Ti29  1  0.043888  0.712439  0.339188  1
  Ti  Ti30  1  0.963391  0.965172  0.370479  1
  Ti  Ti31  1  0.338301  0.006775  0.354676  1
  Ti  Ti32  1  0.671635  0.673442  0.354676  1
  Ti  Ti33  1  0.004968  0.340109  0.354676  1
  Ti  Ti34  1  0.377221  0.379106  0.339188  1
  Ti  Ti35  1  0.296725  0.631839  0.370479  1
  Ti  Ti36  1  0.630058  0.298506  0.370479  1
  Ti  Ti37  1  0.443657  0.778703  0.378502  1
  Ti  Ti38  1  0.776991  0.445370  0.378502  1
  Ti  Ti39  1  0.699609  0.701176  0.413000  1
  Ti  Ti40  1  0.072319  0.740646  0.396949  1
  Ti  Ti41  1  0.405653  0.407312  0.396949  1
  Ti  Ti42  1  0.738986  0.073979  0.396949  1
  Ti  Ti43  1  0.110324  0.112037  0.378502  1
  Ti  Ti44  1  0.032943  0.367843  0.413000  1
  Ti  Ti45  1  0.366276  0.034509  0.413000  1
  Ti  Ti46  1  0.590937  0.925944  0.386996  1
  Ti  Ti47  1  0.924270  0.592611  0.386996  1
  Ti  Ti48  1  0.845789  0.847335  0.421296  1
  Ti  Ti49  1  0.219655  0.887926  0.404907  1
  Ti  Ti50  1  0.552988  0.554593  0.404907  1
  Ti  Ti51  1  0.886322  0.221259  0.404907  1
  Ti  Ti52  1  0.257604  0.259277  0.386996  1
  Ti  Ti53  1  0.179122  0.514002  0.421296  1
  Ti  Ti54  1  0.512456  0.180669  0.421296  1
  Ti  Ti55  1  0.325754  0.660590  0.429331  1
  Ti  Ti56  1  0.659087  0.327256  0.429331  1
  Ti  Ti57  1  0.581010  0.582365  0.463314  1
  Ti  Ti58  1  0.953212  0.621315  0.446181  1
  Ti  Ti59  1  0.286545  0.287981  0.446181  1
  Ti  Ti60  1  0.619878  0.954648  0.446181  1
  Ti  Ti61  1  0.992420  0.993923  0.429331  1
  Ti  Ti62  1  0.914344  0.249032  0.463314  1
  Ti  Ti63  1  0.247677  0.915699  0.463314  1
  Ti  Ti64  1  0.472750  0.807545  0.437599  1
  Ti  Ti65  1  0.806084  0.474212  0.437599  1
  Ti  Ti66  1  0.727634  0.728959  0.471556  1
  Ti  Ti67  1  0.100630  0.768688  0.455222  1
  Ti  Ti68  1  0.433963  0.435354  0.455222  1
  Ti  Ti69  1  0.767297  0.102021  0.455222  1
  Ti  Ti70  1  0.139417  0.140879  0.437599  1
  Ti  Ti71  1  0.060967  0.395626  0.471556  1
  Ti  Ti72  1  0.394300  0.062292  0.471556  1
  Ti  Ti73  1  0.207483  0.542100  0.479868  1
  Ti  Ti74  1  0.540816  0.208767  0.479868  1
  Ti  Ti75  1  0.462379  0.463522  0.513719  1
  Ti  Ti76  1  0.834812  0.502696  0.496560  1
  Ti  Ti77  1  0.168146  0.169362  0.496560  1
  Ti  Ti78  1  0.501479  0.836029  0.496560  1
  Ti  Ti79  1  0.874150  0.875433  0.479868  1
  Ti  Ti80  1  0.795712  0.130189  0.513719  1
  Ti  Ti81  1  0.129046  0.796855  0.513719  1
  Ti  Ti82  1  0.354344  0.688928  0.487992  1
  Ti  Ti83  1  0.687677  0.355595  0.487992  1
  Ti  Ti84  1  0.609240  0.610350  0.521843  1
  Ti  Ti85  1  0.981911  0.649755  0.505151  1
  Ti  Ti86  1  0.315244  0.316421  0.505151  1
  Ti  Ti87  1  0.648577  0.983088  0.505151  1
  Ti  Ti88  1  0.021010  0.022261  0.487992  1
  Ti  Ti89  1  0.942573  0.277017  0.521843  1
  Ti  Ti90  1  0.275906  0.943683  0.521843  1
  Ti  Ti91  1  0.089089  0.423491  0.530155  1
  Ti  Ti92  1  0.422423  0.090158  0.530155  1
  Ti  Ti93  1  0.343973  0.344905  0.564112  1
  Ti  Ti94  1  0.716093  0.383763  0.546490  1
  Ti  Ti95  1  0.049426  0.050429  0.546490  1
  Ti  Ti96  1  0.382760  0.717096  0.546490  1
  Ti  Ti97  1  0.755756  0.756825  0.530155  1
  Ti  Ti98  1  0.677306  0.011571  0.564112  1
  Ti  Ti99  1  0.010639  0.678238  0.564112  1
  Ti  Ti100  1  0.235713  0.570085  0.538397  1
  Ti  Ti101  1  0.569046  0.236751  0.538397  1
  Ti  Ti102  1  0.490969  0.491860  0.572380  1
  Ti  Ti103  1  0.863511  0.531135  0.555530  1
  Ti  Ti104  1  0.196845  0.197802  0.555530  1
  Ti  Ti105  1  0.530178  0.864469  0.555530  1
  Ti  Ti106  1  0.902379  0.903418  0.538397  1
  Ti  Ti107  1  0.824303  0.158527  0.572380  1
  Ti  Ti108  1  0.157636  0.825194  0.572380  1
  Ti  Ti109  1  0.970934  0.305115  0.580416  1
  Ti  Ti110  1  0.304267  0.971781  0.580416  1
  Ti  Ti111  1  0.225786  0.226506  0.614716  1
  Ti  Ti112  1  0.597068  0.264524  0.596804  1
  Ti  Ti113  1  0.930401  0.931191  0.596804  1
  Ti  Ti114  1  0.263734  0.597857  0.596804  1
  Ti  Ti115  1  0.637601  0.638448  0.580416  1
  Ti  Ti116  1  0.559119  0.893173  0.614716  1
  Ti  Ti117  1  0.892453  0.559839  0.614716  1
  Ti  Ti118  1  0.117114  0.451274  0.588711  1
  Ti  Ti119  1  0.450447  0.117941  0.588711  1
  Ti  Ti120  1  0.373065  0.373747  0.623209  1
  Ti  Ti121  1  0.744404  0.411804  0.604762  1
  Ti  Ti122  1  0.077737  0.078471  0.604762  1
  Ti  Ti123  1  0.411070  0.745138  0.604762  1
  Ti  Ti124  1  0.783780  0.784607  0.588711  1
  Ti  Ti125  1  0.706399  0.040413  0.623209  1
  Ti  Ti126  1  0.039732  0.707080  0.623209  1
  Ti  Ti127  1  0.853332  0.187278  0.631233  1
  Ti  Ti128  1  0.186665  0.853944  0.631233  1
  Ti  Ti129  1  0.106168  0.106678  0.662523  1
  Ti  Ti130  1  0.478422  0.145675  0.647035  1
  Ti  Ti131  1  0.811755  0.812341  0.647035  1
  Ti  Ti132  1  0.145088  0.479008  0.647035  1
  Ti  Ti133  1  0.519998  0.520611  0.631233  1
  Ti  Ti134  1  0.439502  0.773344  0.662523  1
  Ti  Ti135  1  0.772835  0.440011  0.662523  1
  Ti  Ti136  1  0.999499  0.333452  0.638942  1
  Ti  Ti137  1  0.332833  1.000119  0.638942  1
  Ti  Ti138  1  0.255869  0.256350  0.674385  1
  Ti  Ti139  1  0.625097  0.292270  0.654852  1
  Ti  Ti140  1  0.958431  0.958937  0.654852  1
  Ti  Ti141  1  0.291764  0.625603  0.654852  1
  Ti  Ti142  1  0.666166  0.666785  0.638942  1
  Ti  Ti143  1  0.589203  0.923017  0.674385  1
  Ti  Ti144  1  0.922536  0.589683  0.674385  1
  Ti  Ti145  1  0.737824  0.071544  0.682337  1
  Ti  Ti146  1  0.071157  0.738211  0.682337  1
  Ti  Ti147  1  0.984929  0.985226  0.711989  1
  Ti  Ti148  1  0.361239  0.028305  0.697096  1
  Ti  Ti149  1  0.694572  0.694971  0.697096  1
  Ti  Ti150  1  0.027906  0.361638  0.697096  1
  Ti  Ti151  1  0.404490  0.404877  0.682337  1
  Ti  Ti152  1  0.318262  0.651892  0.711989  1
  Ti  Ti153  1  0.651596  0.318559  0.711989  1
  Ti  Ti154  1  0.884059  0.217784  0.690175  1
  Ti  Ti155  1  0.217392  0.884451  0.690175  1
  Ti  Ti156  1  0.131898  0.132201  0.718868  1
  Ti  Ti157  1  0.505444  0.172400  0.704468  1
  Ti  Ti158  1  0.838778  0.839066  0.704468  1
  Ti  Ti159  1  0.172111  0.505733  0.704468  1
  Ti  Ti160  1  0.550726  0.551118  0.690175  1
  Ti  Ti161  1  0.465231  0.798867  0.718868  1
  Ti  Ti162  1  0.798564  0.465534  0.718868  1
