# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.22449808
_cell_length_b   10.88629405
_cell_length_c   47.95500468
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   46.96871350
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti198
_cell_volume   7717.87872645
_cell_formula_units_Z   198
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  0.978731  0.656480  0.290190  1
  Ti  Ti2  1  0.628137  0.519599  0.305473  1
  Ti  Ti3  1  0.980194  0.154047  0.289949  1
  Ti  Ti4  1  0.262264  0.473558  0.312967  1
  Ti  Ti5  1  0.624537  0.023399  0.305792  1
  Ti  Ti6  1  0.359054  0.700296  0.278580  1
  Ti  Ti7  1  0.031681  0.339077  0.299338  1
  Ti  Ti8  1  0.781849  0.979289  0.291487  1
  Ti  Ti9  1  0.032404  0.838109  0.299234  1
  Ti  Ti10  1  0.428622  0.879021  0.300969  1
  Ti  Ti11  1  0.783672  0.477668  0.291222  1
  Ti  Ti12  1  0.432828  0.386048  0.302652  1
  Ti  Ti13  1  0.175032  0.333531  0.291482  1
  Ti  Ti14  1  0.834359  0.166873  0.299379  1
  Ti  Ti15  1  0.179769  0.825062  0.291127  1
  Ti  Ti16  1  0.597188  0.806252  0.289532  1
  Ti  Ti17  1  0.833383  0.668417  0.299613  1
  Ti  Ti18  1  0.596398  0.309716  0.289086  1
  Ti  Ti19  1  0.902648  0.887180  0.336158  1
  Ti  Ti20  1  0.551269  0.784777  0.346233  1
  Ti  Ti21  1  0.902908  0.386676  0.336088  1
  Ti  Ti22  1  0.142814  0.759691  0.346310  1
  Ti  Ti23  1  0.556366  0.278649  0.347551  1
  Ti  Ti24  1  0.253819  0.988843  0.313019  1
  Ti  Ti25  1  0.951673  0.581701  0.345628  1
  Ti  Ti26  1  0.713353  0.210718  0.335918  1
  Ti  Ti27  1  0.953265  0.078752  0.345375  1
  Ti  Ti28  1  0.298384  0.187658  0.335233  1
  Ti  Ti29  1  0.712715  0.710612  0.335935  1
  Ti  Ti30  1  0.302761  0.689700  0.335166  1
  Ti  Ti31  1  0.098738  0.563827  0.335490  1
  Ti  Ti32  1  0.753829  0.411568  0.349051  1
  Ti  Ti33  1  0.098874  0.061948  0.335291  1
  Ti  Ti34  1  0.455405  0.107998  0.318762  1
  Ti  Ti35  1  0.751970  0.913647  0.349328  1
  Ti  Ti36  1  0.469956  0.593248  0.323407  1
  Ti  Ti37  1  0.835002  0.109419  0.381452  1
  Ti  Ti38  1  0.419346  0.083974  0.379629  1
  Ti  Ti39  1  0.834115  0.609897  0.381415  1
  Ti  Ti40  1  0.073746  0.982558  0.392580  1
  Ti  Ti41  1  0.423124  0.580870  0.380638  1
  Ti  Ti42  1  0.137999  0.267156  0.347046  1
  Ti  Ti43  1  0.871806  0.815405  0.395750  1
  Ti  Ti44  1  0.586638  0.502669  0.366972  1
  Ti  Ti45  1  0.872157  0.314432  0.395577  1
  Ti  Ti46  1  0.225692  0.448744  0.377459  1
  Ti  Ti47  1  0.578920  0.007123  0.364798  1
  Ti  Ti48  1  0.224005  0.951308  0.377794  1
  Ti  Ti49  1  0.021682  0.789776  0.381688  1
  Ti  Ti50  1  0.674245  0.678120  0.392258  1
  Ti  Ti51  1  0.020806  0.289465  0.381937  1
  Ti  Ti52  1  0.390397  0.361880  0.359869  1
  Ti  Ti53  1  0.676503  0.177861  0.393047  1
  Ti  Ti54  1  0.387132  0.864852  0.359846  1
  Ti  Ti55  1  0.705223  0.400784  0.412062  1
  Ti  Ti56  1  0.346279  0.344001  0.422642  1
  Ti  Ti57  1  0.701451  0.903828  0.410734  1
  Ti  Ti58  1  0.992646  0.212679  0.441706  1
  Ti  Ti59  1  0.345583  0.844701  0.422887  1
  Ti  Ti60  1  0.072982  0.485634  0.393113  1
  Ti  Ti61  1  0.797305  0.076188  0.438911  1
  Ti  Ti62  1  0.510612  0.760480  0.406209  1
  Ti  Ti63  1  0.795626  0.576909  0.438323  1
  Ti  Ti64  1  0.143372  0.680104  0.426293  1
  Ti  Ti65  1  0.513040  0.257090  0.406402  1
  Ti  Ti66  1  0.142474  0.181135  0.426664  1
  Ti  Ti67  1  0.955994  0.006848  0.427333  1
  Ti  Ti68  1  0.540975  0.979689  0.425008  1
  Ti  Ti69  1  0.955079  0.507850  0.427277  1
  Ti  Ti70  1  0.262815  0.654128  0.391837  1
  Ti  Ti71  1  0.543085  0.478918  0.425831  1
  Ti  Ti72  1  0.260538  0.156486  0.392281  1
  Ti  Ti73  1  0.633259  0.655341  0.452154  1
  Ti  Ti74  1  0.264187  0.575635  0.471729  1
  Ti  Ti75  1  0.634846  0.153756  0.452332  1
  Ti  Ti76  1  0.917442  0.472361  0.484119  1
  Ti  Ti77  1  0.264048  0.076126  0.471923  1
  Ti  Ti78  1  0.992413  0.713689  0.441946  1
  Ti  Ti79  1  0.663486  0.376223  0.471360  1
  Ti  Ti80  1  0.382177  0.051633  0.437564  1
  Ti  Ti81  1  0.661871  0.877115  0.470695  1
  Ti  Ti82  1  0.078213  0.899685  0.472398  1
  Ti  Ti83  1  0.383464  0.549740  0.437621  1
  Ti  Ti84  1  0.077246  0.401109  0.472352  1
  Ti  Ti85  1  0.825292  0.299021  0.457466  1
  Ti  Ti86  1  0.467319  0.240093  0.468129  1
  Ti  Ti87  1  0.823083  0.800823  0.456795  1
  Ti  Ti88  1  0.196258  0.875181  0.437864  1
  Ti  Ti89  1  0.466784  0.741003  0.468303  1
  Ti  Ti90  1  0.196182  0.376359  0.438231  1
  Ti  Ti91  1  0.503329  0.947797  0.483003  1
  Ti  Ti92  1  0.199449  0.795731  0.517865  1
  Ti  Ti93  1  0.504261  0.446601  0.483111  1
  Ti  Ti94  1  0.783910  0.771684  0.516179  1
  Ti  Ti95  1  0.198517  0.296927  0.517757  1
  Ti  Ti96  1  0.918868  0.971844  0.484688  1
  Ti  Ti97  1  0.587985  0.637335  0.513862  1
  Ti  Ti98  1  0.317568  0.271684  0.483665  1
  Ti  Ti99  1  0.588323  0.136625  0.513665  1
  Ti  Ti100  1  0.947598  0.192826  0.502924  1
  Ti  Ti101  1  0.317532  0.771238  0.483441  1
  Ti  Ti102  1  0.945890  0.694513  0.502600  1
  Ti  Ti103  1  0.755180  0.550702  0.497944  1
  Ti  Ti104  1  0.385210  0.471844  0.517203  1
  Ti  Ti105  1  0.756888  0.049015  0.498268  1
  Ti  Ti106  1  0.114793  0.106193  0.487006  1
  Ti  Ti107  1  0.385246  0.972291  0.517427  1
  Ti  Ti108  1  0.114455  0.606904  0.487203  1
  Ti  Ti109  1  0.438591  0.167893  0.529138  1
  Ti  Ti110  1  0.069519  0.088188  0.548714  1
  Ti  Ti111  1  0.438730  0.667402  0.528945  1
  Ti  Ti112  1  0.710365  0.029839  0.558921  1
  Ti  Ti113  1  0.067932  0.589772  0.548535  1
  Ti  Ti114  1  0.785336  0.271167  0.516749  1
  Ti  Ti115  1  0.506520  0.868347  0.563004  1
  Ti  Ti116  1  0.235459  0.503435  0.532739  1
  Ti  Ti117  1  0.506596  0.367170  0.562637  1
  Ti  Ti118  1  0.877486  0.444507  0.543401  1
  Ti  Ti119  1  0.235994  1.002525  0.532565  1
  Ti  Ti120  1  0.879695  0.942705  0.544073  1
  Ti  Ti121  1  0.624565  0.843843  0.528470  1
  Ti  Ti122  1  0.320601  0.691895  0.563304  1
  Ti  Ti123  1  0.625532  0.342419  0.528516  1
  Ti  Ti124  1  0.039292  0.367306  0.529508  1
  Ti  Ti125  1  0.319314  0.193788  0.563246  1
  Ti  Ti126  1  0.040907  0.866414  0.530173  1
  Ti  Ti127  1  0.356499  0.399527  0.578226  1
  Ti  Ti128  1  0.997555  0.342744  0.588805  1
  Ti  Ti129  1  0.357195  0.898828  0.577981  1
  Ti  Ti130  1  0.629796  0.257894  0.607754  1
  Ti  Ti131  1  0.001327  0.839701  0.590133  1
  Ti  Ti132  1  0.710132  0.530849  0.559162  1
  Ti  Ti133  1  0.439963  0.089400  0.609030  1
  Ti  Ti134  1  0.161803  0.763840  0.575860  1
  Ti  Ti135  1  0.442240  0.587042  0.608587  1
  Ti  Ti136  1  0.746784  0.736680  0.573535  1
  Ti  Ti137  1  0.159693  0.264610  0.575037  1
  Ti  Ti138  1  0.747699  0.235678  0.573590  1
  Ti  Ti139  1  0.559406  0.063424  0.574575  1
  Ti  Ti140  1  0.192166  0.983048  0.594658  1
  Ti  Ti141  1  0.560304  0.562394  0.574203  1
  Ti  Ti142  1  0.905473  0.667340  0.561957  1
  Ti  Ti143  1  0.189738  0.486439  0.594466  1
  Ti  Ti144  1  0.907152  0.166619  0.562544  1
  Ti  Ti145  1  0.283432  0.659554  0.621239  1
  Ti  Ti146  1  0.867776  0.634109  0.619416  1
  Ti  Ti147  1  0.279654  0.162658  0.620230  1
  Ti  Ti148  1  0.564778  0.476372  0.653822  1
  Ti  Ti149  1  0.868662  0.133631  0.619453  1
  Ti  Ti150  1  0.629032  0.760971  0.608288  1
  Ti  Ti151  1  0.312381  0.381648  0.640999  1
  Ti  Ti152  1  0.028533  0.065408  0.608610  1
  Ti  Ti153  1  0.315646  0.878676  0.641021  1
  Ti  Ti154  1  0.681096  0.953752  0.619180  1
  Ti  Ti155  1  0.026275  0.565667  0.607821  1
  Ti  Ti156  1  0.681972  0.454063  0.618931  1
  Ti  Ti157  1  0.477086  0.294784  0.623409  1
  Ti  Ti158  1  0.116140  0.240859  0.633895  1
  Ti  Ti159  1  0.478773  0.792220  0.623073  1
  Ti  Ti160  1  0.830972  0.928123  0.605117  1
  Ti  Ti161  1  0.123858  0.736405  0.636070  1
  Ti  Ti162  1  0.830621  0.429096  0.605291  1
  Ti  Ti163  1  0.151509  0.958752  0.654634  1
  Ti  Ti164  1  0.800130  0.856348  0.664709  1
  Ti  Ti165  1  0.146412  0.464880  0.653317  1
  Ti  Ti166  1  0.448959  0.754685  0.687849  1
  Ti  Ti167  1  0.799870  0.356852  0.664780  1
  Ti  Ti168  1  0.559964  0.983837  0.654558  1
  Ti  Ti169  1  0.247373  0.635530  0.682106  1
  Ti  Ti170  1  0.948949  0.331960  0.651817  1
  Ti  Ti171  1  0.232822  0.150281  0.677460  1
  Ti  Ti172  1  0.604040  0.179702  0.665377  1
  Ti  Ti173  1  0.950808  0.829881  0.651540  1
  Ti  Ti174  1  0.603904  0.681580  0.665577  1
  Ti  Ti175  1  0.404394  0.555870  0.665635  1
  Ti  Ti176  1  0.989425  0.532811  0.664950  1
  Ti  Ti177  1  0.400017  0.053829  0.665702  1
  Ti  Ti178  1  0.751105  0.161827  0.655239  1
  Ti  Ti179  1  0.990063  0.032917  0.664932  1
  Ti  Ti180  1  0.749513  0.664776  0.655493  1
  Ti  Ti181  1  0.074641  0.223929  0.695395  1
  Ti  Ti182  1  0.724047  0.087048  0.710678  1
  Ti  Ti183  1  0.078241  0.720129  0.695076  1
  Ti  Ti184  1  0.343724  0.043232  0.722288  1
  Ti  Ti185  1  0.722584  0.589481  0.710919  1
  Ti  Ti186  1  0.440514  0.269970  0.687901  1
  Ti  Ti187  1  0.105590  0.937276  0.711336  1
  Ti  Ti188  1  0.868419  0.576655  0.701489  1
  Ti  Ti189  1  0.106380  0.433812  0.711782  1
  Ti  Ti190  1  0.527746  0.409997  0.709386  1
  Ti  Ti191  1  0.869395  0.075111  0.701255  1
  Ti  Ti192  1  0.523009  0.918467  0.709741  1
  Ti  Ti193  1  0.274156  0.864508  0.699899  1
  Ti  Ti194  1  0.920929  0.764239  0.709381  1
  Ti  Ti195  1  0.269950  0.357481  0.698216  1
  Ti  Ti196  1  0.671097  0.404451  0.701529  1
  Ti  Ti197  1  0.919106  0.265860  0.709646  1
  Ti  Ti198  1  0.670374  0.905419  0.701633  1
