# generated using pymatgen
data_Ti3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.30285283
_cell_length_b   23.29233290
_cell_length_c   49.75154074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al
_chemical_formula_sum   'Ti360 Al120'
_cell_volume   19510.2564248
_cell_formula_units_Z   120
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  0.065047  0.592476  0.330871  1
  Ti  Ti2  1  0.565051  0.592475  0.331174  1
  Ti  Ti3  1  0.153620  0.921063  0.309570  1
  Ti  Ti4  1  0.985965  0.249983  0.351349  1
  Ti  Ti5  1  0.648100  0.920850  0.309656  1
  Ti  Ti6  1  0.486517  0.250357  0.351190  1
  Ti  Ti7  1  0.117167  0.487927  0.300404  1
  Ti  Ti8  1  0.617452  0.487912  0.300461  1
  Ti  Ti9  1  0.012071  0.698410  0.362827  1
  Ti  Ti10  1  0.099560  0.026369  0.341341  1
  Ti  Ti11  1  0.512994  0.696782  0.363784  1
  Ti  Ti12  1  0.596787  0.026319  0.341389  1
  Ti  Ti13  1  0.627190  0.469906  0.355529  1
  Ti  Ti14  1  0.125436  0.470195  0.355540  1
  Ti  Ti15  1  0.704375  0.813960  0.339287  1
  Ti  Ti16  1  0.788383  0.145986  0.317893  1
  Ti  Ti17  1  0.204249  0.814300  0.339221  1
  Ti  Ti18  1  0.286730  0.149187  0.317771  1
  Ti  Ti19  1  0.765010  0.446337  0.324531  1
  Ti  Ti20  1  0.263523  0.445345  0.324222  1
  Ti  Ti21  1  0.838523  0.790470  0.308839  1
  Ti  Ti22  1  0.736502  1.000538  0.373590  1
  Ti  Ti23  1  0.339759  0.794369  0.308561  1
  Ti  Ti24  1  0.236300  1.000447  0.374008  1
  Ti  Ti25  1  0.709223  0.552774  0.357249  1
  Ti  Ti26  1  0.210170  0.552146  0.356346  1
  Ti  Ti27  1  0.788121  0.898013  0.339696  1
  Ti  Ti28  1  0.872136  0.227903  0.320402  1
  Ti  Ti29  1  0.288837  0.896229  0.341517  1
  Ti  Ti30  1  0.372762  0.228231  0.320439  1
  Ti  Ti31  1  0.819231  0.333391  0.351981  1
  Ti  Ti32  1  0.319340  0.333330  0.351867  1
  Ti  Ti33  1  0.898613  0.673954  0.331928  1
  Ti  Ti34  1  0.991145  0.009336  0.309986  1
  Ti  Ti35  1  0.399273  0.675263  0.332326  1
  Ti  Ti36  1  0.484078  0.003916  0.309877  1
  Ti  Ti37  1  0.011402  0.446170  0.324611  1
  Ti  Ti38  1  0.513807  0.445390  0.324222  1
  Ti  Ti39  1  0.093220  0.790796  0.308742  1
  Ti  Ti40  1  0.985680  1.000621  0.373570  1
  Ti  Ti41  1  0.589267  0.794003  0.308677  1
  Ti  Ti42  1  0.486006  1.000370  0.374028  1
  Ti  Ti43  1  0.960505  0.552892  0.357116  1
  Ti  Ti44  1  0.460391  0.552042  0.356504  1
  Ti  Ti45  1  0.036519  0.898121  0.339665  1
  Ti  Ti46  1  0.121388  0.228581  0.320544  1
  Ti  Ti47  1  0.537726  0.896096  0.341576  1
  Ti  Ti48  1  0.623027  0.227550  0.320295  1
  Ti  Ti49  1  0.570109  0.333223  0.351728  1
  Ti  Ti50  1  0.069842  0.333441  0.352129  1
  Ti  Ti51  1  0.648912  0.674404  0.332387  1
  Ti  Ti52  1  0.722196  0.009288  0.310013  1
  Ti  Ti53  1  0.149276  0.674802  0.331877  1
  Ti  Ti54  1  0.234802  0.003969  0.309841  1
  Ti  Ti55  1  0.816159  0.589884  0.330547  1
  Ti  Ti56  1  0.315304  0.592377  0.330933  1
  Ti  Ti57  1  0.712152  0.799976  0.399722  1
  Ti  Ti58  1  0.736295  0.250039  0.351137  1
  Ti  Ti59  1  0.401292  0.920244  0.309768  1
  Ti  Ti60  1  0.235911  0.250883  0.351306  1
  Ti  Ti61  1  0.683338  0.355976  0.383102  1
  Ti  Ti62  1  0.367557  0.487879  0.300218  1
  Ti  Ti63  1  0.763619  0.696097  0.363108  1
  Ti  Ti64  1  0.850260  0.022169  0.338875  1
  Ti  Ti65  1  0.262290  0.697341  0.363298  1
  Ti  Ti66  1  0.348316  0.026029  0.340925  1
  Ti  Ti67  1  0.875912  0.470680  0.355383  1
  Ti  Ti68  1  0.376442  0.469859  0.355557  1
  Ti  Ti69  1  0.952700  0.817185  0.337819  1
  Ti  Ti70  1  0.037361  0.147627  0.317590  1
  Ti  Ti71  1  0.454517  0.813847  0.340007  1
  Ti  Ti72  1  0.537731  0.147599  0.317627  1
  Ti  Ti73  1  0.881649  0.459449  0.417971  1
  Ti  Ti74  1  0.381601  0.459316  0.417862  1
  Ti  Ti75  1  0.961044  0.800525  0.399624  1
  Ti  Ti76  1  0.797303  0.128049  0.441388  1
  Ti  Ti77  1  0.461258  0.800281  0.399961  1
  Ti  Ti78  1  0.297008  0.128680  0.441606  1
  Ti  Ti79  1  0.932967  0.356566  0.382612  1
  Ti  Ti80  1  0.433286  0.356124  0.382921  1
  Ti  Ti81  1  0.829592  0.563731  0.450308  1
  Ti  Ti82  1  0.851116  0.020409  0.409028  1
  Ti  Ti83  1  0.329363  0.563590  0.450391  1
  Ti  Ti84  1  0.350748  0.021158  0.409408  1
  Ti  Ti85  1  0.439696  0.343074  0.446587  1
  Ti  Ti86  1  0.939861  0.343095  0.446509  1
  Ti  Ti87  1  0.521077  0.680195  0.424838  1
  Ti  Ti88  1  0.545450  0.130964  0.376796  1
  Ti  Ti89  1  0.021321  0.680334  0.424743  1
  Ti  Ti90  1  0.046327  0.130821  0.376829  1
  Ti  Ti91  1  0.574683  0.323091  0.413105  1
  Ti  Ti92  1  0.074697  0.323050  0.412936  1
  Ti  Ti93  1  0.657817  0.657111  0.391100  1
  Ti  Ti94  1  0.493017  0.986884  0.438330  1
  Ti  Ti95  1  0.157396  0.657982  0.390464  1
  Ti  Ti96  1  0.992674  0.987035  0.438293  1
  Ti  Ti97  1  0.522704  0.426898  0.447475  1
  Ti  Ti98  1  0.022903  0.427098  0.447336  1
  Ti  Ti99  1  0.606309  0.760545  0.426571  1
  Ti  Ti100  1  0.628622  0.215602  0.378616  1
  Ti  Ti101  1  0.105760  0.760576  0.426360  1
  Ti  Ti102  1  0.128939  0.215003  0.378435  1
  Ti  Ti103  1  0.630526  0.211497  0.441723  1
  Ti  Ti104  1  0.130465  0.211787  0.441727  1
  Ti  Ti105  1  0.714736  0.543004  0.419054  1
  Ti  Ti106  1  0.794591  0.884074  0.402657  1
  Ti  Ti107  1  0.214686  0.543479  0.418909  1
  Ti  Ti108  1  0.293656  0.884038  0.402908  1
  Ti  Ti109  1  0.824945  0.322981  0.413062  1
  Ti  Ti110  1  0.324859  0.323158  0.412976  1
  Ti  Ti111  1  0.907555  0.658108  0.390707  1
  Ti  Ti112  1  0.742993  0.986953  0.438235  1
  Ti  Ti113  1  0.407489  0.657000  0.390850  1
  Ti  Ti114  1  0.242761  0.986963  0.438388  1
  Ti  Ti115  1  0.772877  0.426869  0.447429  1
  Ti  Ti116  1  0.272769  0.427125  0.447381  1
  Ti  Ti117  1  0.856334  0.760715  0.426441  1
  Ti  Ti118  1  0.878328  0.215511  0.378651  1
  Ti  Ti119  1  0.355821  0.760406  0.426512  1
  Ti  Ti120  1  0.378784  0.215108  0.378398  1
  Ti  Ti121  1  0.380399  0.211796  0.441775  1
  Ti  Ti122  1  0.880636  0.211490  0.441677  1
  Ti  Ti123  1  0.464353  0.542853  0.419029  1
  Ti  Ti124  1  0.545035  0.883837  0.402832  1
  Ti  Ti125  1  0.964970  0.543627  0.418921  1
  Ti  Ti126  1  0.043957  0.884284  0.402728  1
  Ti  Ti127  1  0.631616  0.459191  0.418022  1
  Ti  Ti128  1  0.131475  0.459884  0.417917  1
  Ti  Ti129  1  0.469237  0.784077  0.459707  1
  Ti  Ti130  1  0.547251  0.128347  0.441494  1
  Ti  Ti131  1  0.210392  0.800364  0.399858  1
  Ti  Ti132  1  0.046997  0.128510  0.441431  1
  Ti  Ti133  1  0.495570  0.231390  0.475103  1
  Ti  Ti134  1  0.182996  0.356546  0.383189  1
  Ti  Ti135  1  0.579277  0.563627  0.450337  1
  Ti  Ti136  1  0.601109  0.020557  0.409122  1
  Ti  Ti137  1  0.079590  0.563859  0.450382  1
  Ti  Ti138  1  0.100985  0.020544  0.409160  1
  Ti  Ti139  1  0.689885  0.342780  0.446489  1
  Ti  Ti140  1  0.189788  0.343163  0.446476  1
  Ti  Ti141  1  0.771467  0.680221  0.424841  1
  Ti  Ti142  1  0.796684  0.129292  0.376444  1
  Ti  Ti143  1  0.271083  0.680017  0.424723  1
  Ti  Ti144  1  0.295900  0.130897  0.376736  1
  Ti  Ti145  1  0.692964  0.336916  0.509485  1
  Ti  Ti146  1  0.192658  0.337144  0.509602  1
  Ti  Ti147  1  0.719470  0.783959  0.459764  1
  Ti  Ti148  1  0.615215  0.992085  0.528795  1
  Ti  Ti149  1  0.219232  0.783876  0.459752  1
  Ti  Ti150  1  0.115203  0.992322  0.528796  1
  Ti  Ti151  1  0.745734  0.231190  0.475019  1
  Ti  Ti152  1  0.245510  0.231578  0.475148  1
  Ti  Ti153  1  0.585295  0.552121  0.517115  1
  Ti  Ti154  1  0.666787  0.888968  0.494599  1
  Ti  Ti155  1  0.085160  0.552170  0.517117  1
  Ti  Ti156  1  0.166779  0.889086  0.494596  1
  Ti  Ti157  1  0.250537  0.221380  0.537115  1
  Ti  Ti158  1  0.750718  0.221404  0.537063  1
  Ti  Ti159  1  0.279031  0.664632  0.487089  1
  Ti  Ti160  1  0.356160  0.010337  0.469041  1
  Ti  Ti161  1  0.778996  0.664600  0.486963  1
  Ti  Ti162  1  0.856201  0.010262  0.469034  1
  Ti  Ti163  1  0.388209  0.196240  0.503931  1
  Ti  Ti164  1  0.888185  0.196350  0.503973  1
  Ti  Ti165  1  0.469327  0.533922  0.481808  1
  Ti  Ti166  1  0.309195  0.854403  0.523624  1
  Ti  Ti167  1  0.969395  0.533991  0.481674  1
  Ti  Ti168  1  0.809105  0.854273  0.523619  1
  Ti  Ti169  1  0.335565  0.301296  0.538838  1
  Ti  Ti170  1  0.835594  0.301657  0.538890  1
  Ti  Ti171  1  0.361898  0.748810  0.489187  1
  Ti  Ti172  1  0.439846  0.092962  0.469774  1
  Ti  Ti173  1  0.861865  0.748879  0.489234  1
  Ti  Ti174  1  0.939816  0.093041  0.469784  1
  Ti  Ti175  1  0.448859  0.074820  0.529488  1
  Ti  Ti176  1  0.948894  0.074912  0.529488  1
  Ti  Ti177  1  0.525827  0.421072  0.511787  1
  Ti  Ti178  1  0.554259  0.864152  0.461411  1
  Ti  Ti179  1  0.025660  0.421284  0.511746  1
  Ti  Ti180  1  0.054193  0.864030  0.461442  1
  Ti  Ti181  1  0.638273  0.196156  0.503931  1
  Ti  Ti182  1  0.138100  0.196437  0.503974  1
  Ti  Ti183  1  0.719348  0.533912  0.481673  1
  Ti  Ti184  1  0.559138  0.854277  0.523599  1
  Ti  Ti185  1  0.219339  0.534006  0.481805  1
  Ti  Ti186  1  0.059176  0.854401  0.523647  1
  Ti  Ti187  1  0.585828  0.301334  0.538821  1
  Ti  Ti188  1  0.085349  0.301618  0.538916  1
  Ti  Ti189  1  0.611864  0.748813  0.489144  1
  Ti  Ti190  1  0.689921  0.092887  0.469759  1
  Ti  Ti191  1  0.111915  0.748881  0.489282  1
  Ti  Ti192  1  0.189715  0.093116  0.469799  1
  Ti  Ti193  1  0.198803  0.074982  0.529520  1
  Ti  Ti194  1  0.698931  0.074754  0.529457  1
  Ti  Ti195  1  0.275604  0.421228  0.511856  1
  Ti  Ti196  1  0.304275  0.864105  0.461429  1
  Ti  Ti197  1  0.775803  0.421131  0.511676  1
  Ti  Ti198  1  0.804339  0.864081  0.461428  1
  Ti  Ti199  1  0.442830  0.337001  0.509593  1
  Ti  Ti200  1  0.942808  0.337039  0.509483  1
  Ti  Ti201  1  0.281719  0.659262  0.551516  1
  Ti  Ti202  1  0.365206  0.992172  0.528804  1
  Ti  Ti203  1  0.969411  0.783903  0.459819  1
  Ti  Ti204  1  0.865253  0.992151  0.528786  1
  Ti  Ti205  1  0.312086  0.098202  0.560216  1
  Ti  Ti206  1  0.995646  0.231437  0.475048  1
  Ti  Ti207  1  0.335186  0.552254  0.517216  1
  Ti  Ti208  1  0.416764  0.889050  0.494578  1
  Ti  Ti209  1  0.835219  0.552130  0.517053  1
  Ti  Ti210  1  0.916799  0.889015  0.494642  1
  Ti  Ti211  1  0.500690  0.221265  0.537065  1
  Ti  Ti212  1  1.000539  0.221579  0.537148  1
  Ti  Ti213  1  0.528961  0.664607  0.486973  1
  Ti  Ti214  1  0.606280  0.010196  0.468992  1
  Ti  Ti215  1  0.029046  0.664657  0.487074  1
  Ti  Ti216  1  0.106040  0.010492  0.469047  1
  Ti  Ti217  1  0.448784  0.325218  0.571839  1
  Ti  Ti218  1  0.948473  0.325460  0.572189  1
  Ti  Ti219  1  0.531941  0.659108  0.551523  1
  Ti  Ti220  1  0.425632  0.871310  0.620543  1
  Ti  Ti221  1  0.031623  0.659053  0.551464  1
  Ti  Ti222  1  0.926013  0.870680  0.620342  1
  Ti  Ti223  1  0.562189  0.098249  0.560142  1
  Ti  Ti224  1  0.062060  0.098433  0.560223  1
  Ti  Ti225  1  0.396763  0.429079  0.607585  1
  Ti  Ti226  1  0.479918  0.762906  0.586049  1
  Ti  Ti227  1  0.896876  0.428793  0.608067  1
  Ti  Ti228  1  0.979896  0.762703  0.585913  1
  Ti  Ti229  1  0.010375  0.201387  0.595751  1
  Ti  Ti230  1  0.510962  0.201137  0.595515  1
  Ti  Ti231  1  0.089408  0.542956  0.579828  1
  Ti  Ti232  1  0.174408  0.874042  0.557075  1
  Ti  Ti233  1  0.590439  0.542619  0.579752  1
  Ti  Ti234  1  0.674371  0.873648  0.557063  1
  Ti  Ti235  1  0.203861  0.064689  0.589493  1
  Ti  Ti236  1  0.704038  0.064534  0.589284  1
  Ti  Ti237  1  0.225001  0.522303  0.548522  1
  Ti  Ti238  1  0.121431  0.729743  0.615821  1
  Ti  Ti239  1  0.725380  0.522180  0.548401  1
  Ti  Ti240  1  0.621811  0.729126  0.615765  1
  Ti  Ti241  1  0.093459  0.285014  0.598598  1
  Ti  Ti242  1  0.594259  0.284603  0.598430  1
  Ti  Ti243  1  0.172696  0.626746  0.580849  1
  Ti  Ti244  1  0.257802  0.957180  0.557208  1
  Ti  Ti245  1  0.673362  0.626340  0.580856  1
  Ti  Ti246  1  0.757789  0.956932  0.557159  1
  Ti  Ti247  1  0.258172  0.955379  0.622434  1
  Ti  Ti248  1  0.758267  0.955484  0.621909  1
  Ti  Ti249  1  0.283476  0.405499  0.573824  1
  Ti  Ti250  1  0.364843  0.743205  0.552385  1
  Ti  Ti251  1  0.783561  0.405746  0.574050  1
  Ti  Ti252  1  0.864695  0.742993  0.552332  1
  Ti  Ti253  1  0.454152  0.064368  0.589342  1
  Ti  Ti254  1  0.953986  0.064858  0.589442  1
  Ti  Ti255  1  0.475462  0.522119  0.548453  1
  Ti  Ti256  1  0.371737  0.729251  0.615583  1
  Ti  Ti257  1  0.974962  0.522362  0.548470  1
  Ti  Ti258  1  0.871519  0.729624  0.616011  1
  Ti  Ti259  1  0.343678  0.284855  0.598342  1
  Ti  Ti260  1  0.844137  0.284758  0.598691  1
  Ti  Ti261  1  0.423273  0.626451  0.580754  1
  Ti  Ti262  1  0.507635  0.956919  0.557169  1
  Ti  Ti263  1  0.922851  0.626638  0.580951  1
  Ti  Ti264  1  0.007852  0.957197  0.557193  1
  Ti  Ti265  1  0.008833  0.955480  0.622000  1
  Ti  Ti266  1  0.509065  0.955383  0.622382  1
  Ti  Ti267  1  0.033162  0.405828  0.574022  1
  Ti  Ti268  1  0.114728  0.743137  0.552333  1
  Ti  Ti269  1  0.533752  0.405414  0.573853  1
  Ti  Ti270  1  0.614796  0.743064  0.552385  1
  Ti  Ti271  1  0.198346  0.325363  0.571972  1
  Ti  Ti272  1  0.698980  0.325205  0.572049  1
  Ti  Ti273  1  0.094385  0.533153  0.642377  1
  Ti  Ti274  1  0.175576  0.871310  0.620556  1
  Ti  Ti275  1  0.781810  0.658970  0.551500  1
  Ti  Ti276  1  0.675748  0.871309  0.620527  1
  Ti  Ti277  1  0.068524  0.084696  0.625299  1
  Ti  Ti278  1  0.812269  0.098280  0.560161  1
  Ti  Ti279  1  0.146719  0.428902  0.607735  1
  Ti  Ti280  1  0.229775  0.763101  0.585945  1
  Ti  Ti281  1  0.647070  0.428663  0.607799  1
  Ti  Ti282  1  0.729956  0.762674  0.586067  1
  Ti  Ti283  1  0.260411  0.201317  0.595569  1
  Ti  Ti284  1  0.760965  0.201143  0.595632  1
  Ti  Ti285  1  0.339855  0.542962  0.579703  1
  Ti  Ti286  1  0.424435  0.873754  0.557091  1
  Ti  Ti287  1  0.840004  0.542588  0.579845  1
  Ti  Ti288  1  0.924434  0.873736  0.557057  1
  Ti  Ti289  1  0.266713  0.189568  0.656828  1
  Ti  Ti290  1  0.766516  0.189112  0.657326  1
  Ti  Ti291  1  0.344662  0.533333  0.642094  1
  Ti  Ti292  1  0.183908  0.856276  0.678448  1
  Ti  Ti293  1  0.844731  0.533131  0.642787  1
  Ti  Ti294  1  0.682350  0.856312  0.678440  1
  Ti  Ti295  1  0.318743  0.084855  0.624867  1
  Ti  Ti296  1  0.819003  0.084757  0.624644  1
  Ti  Ti297  1  0.219009  0.289461  0.690045  1
  Ti  Ti298  1  0.291296  0.640073  0.674464  1
  Ti  Ti299  1  0.713866  0.289754  0.690083  1
  Ti  Ti300  1  0.790644  0.641336  0.674661  1
  Ti  Ti301  1  0.819743  0.081969  0.690226  1
  Ti  Ti302  1  0.319999  0.083618  0.688764  1
  Ti  Ti303  1  0.906666  0.409271  0.667200  1
  Ti  Ti304  1  0.985203  0.752744  0.646790  1
  Ti  Ti305  1  0.406390  0.409766  0.666200  1
  Ti  Ti306  1  0.484903  0.752408  0.646684  1
  Ti  Ti307  1  0.955307  0.059038  0.658851  1
  Ti  Ti308  1  0.456565  0.059770  0.658039  1
  Ti  Ti309  1  0.042093  0.388881  0.635146  1
  Ti  Ti310  1  0.938364  0.598787  0.698642  1
  Ti  Ti311  1  0.541841  0.388712  0.634712  1
  Ti  Ti312  1  0.437426  0.597391  0.698466  1
  Ti  Ti313  1  0.903484  0.166152  0.689136  1
  Ti  Ti314  1  0.402946  0.166627  0.688875  1
  Ti  Ti315  1  0.989572  0.491924  0.668663  1
  Ti  Ti316  1  0.068153  0.836085  0.647798  1
  Ti  Ti317  1  0.489699  0.492671  0.667590  1
  Ti  Ti318  1  0.568599  0.835100  0.647272  1
  Ti  Ti319  1  0.017058  0.937805  0.682822  1
  Ti  Ti320  1  0.518133  0.936548  0.681067  1
  Ti  Ti321  1  0.100685  0.271466  0.658923  1
  Ti  Ti322  1  0.178565  0.615584  0.643157  1
  Ti  Ti323  1  0.599728  0.271873  0.658334  1
  Ti  Ti324  1  0.678666  0.615365  0.643495  1
  Ti  Ti325  1  0.206559  0.059615  0.658174  1
  Ti  Ti326  1  0.707955  0.059193  0.658704  1
  Ti  Ti327  1  0.292036  0.388783  0.634695  1
  Ti  Ti328  1  0.187790  0.597509  0.698453  1
  Ti  Ti329  1  0.791649  0.388814  0.635153  1
  Ti  Ti330  1  0.685572  0.598664  0.698656  1
  Ti  Ti331  1  0.154324  0.165780  0.689060  1
  Ti  Ti332  1  0.651641  0.167031  0.688953  1
  Ti  Ti333  1  0.240186  0.492693  0.667588  1
  Ti  Ti334  1  0.318974  0.834855  0.647318  1
  Ti  Ti335  1  0.741104  0.491913  0.668656  1
  Ti  Ti336  1  0.818318  0.836380  0.647760  1
  Ti  Ti337  1  0.767495  0.937964  0.682888  1
  Ti  Ti338  1  0.268108  0.936385  0.681056  1
  Ti  Ti339  1  0.850485  0.271636  0.658992  1
  Ti  Ti340  1  0.928578  0.615369  0.643512  1
  Ti  Ti341  1  0.350846  0.271744  0.658280  1
  Ti  Ti342  1  0.428506  0.615574  0.643142  1
  Ti  Ti343  1  0.016452  0.190078  0.657426  1
  Ti  Ti344  1  0.516134  0.189904  0.656736  1
  Ti  Ti345  1  0.910698  0.401437  0.720522  1
  Ti  Ti346  1  0.932544  0.857292  0.679538  1
  Ti  Ti347  1  0.595109  0.533095  0.642394  1
  Ti  Ti348  1  0.432920  0.856897  0.678350  1
  Ti  Ti349  1  0.878766  0.965102  0.711089  1
  Ti  Ti350  1  0.569452  0.084422  0.625017  1
  Ti  Ti351  1  0.965782  0.291152  0.691859  1
  Ti  Ti352  1  0.041542  0.640420  0.674524  1
  Ti  Ti353  1  0.466030  0.290314  0.690027  1
  Ti  Ti354  1  0.540743  0.640302  0.674530  1
  Ti  Ti355  1  0.069869  0.083913  0.688788  1
  Ti  Ti356  1  0.568633  0.084253  0.688636  1
  Ti  Ti357  1  0.157662  0.409860  0.666289  1
  Ti  Ti358  1  0.235105  0.752493  0.646613  1
  Ti  Ti359  1  0.655091  0.409833  0.666316  1
  Ti  Ti360  1  0.734958  0.752745  0.646652  1
  Al  Al361  1  0.702792  0.565118  0.301437  1
  Al  Al362  1  0.203778  0.565242  0.300416  1
  Al  Al363  1  0.598239  0.777165  0.368351  1
  Al  Al364  1  0.680992  0.109976  0.345058  1
  Al  Al365  1  0.096279  0.778811  0.367540  1
  Al  Al366  1  0.182069  0.109049  0.344348  1
  Al  Al367  1  0.929376  0.363908  0.323506  1
  Al  Al368  1  0.429079  0.364375  0.322502  1
  Al  Al369  1  0.005118  0.711848  0.305572  1
  Al  Al370  1  0.901855  0.919062  0.373260  1
  Al  Al371  1  0.505522  0.712256  0.305882  1
  Al  Al372  1  0.401604  0.919416  0.373628  1
  Al  Al373  1  0.679761  0.364646  0.322467  1
  Al  Al374  1  0.178074  0.364884  0.322540  1
  Al  Al375  1  0.754438  0.710720  0.305585  1
  Al  Al376  1  0.652701  0.918934  0.372922  1
  Al  Al377  1  0.257191  0.711409  0.305485  1
  Al  Al378  1  0.151021  0.919064  0.372912  1
  Al  Al379  1  0.954472  0.564548  0.301303  1
  Al  Al380  1  0.453754  0.565622  0.300592  1
  Al  Al381  1  0.847715  0.778433  0.367488  1
  Al  Al382  1  0.931682  0.110061  0.345028  1
  Al  Al383  1  0.347212  0.777546  0.368406  1
  Al  Al384  1  0.431569  0.108967  0.344375  1
  Al  Al385  1  0.517802  0.437476  0.385440  1
  Al  Al386  1  0.017222  0.437806  0.385696  1
  Al  Al387  1  0.413023  0.646191  0.453530  1
  Al  Al388  1  0.435190  0.102248  0.410019  1
  Al  Al389  1  0.913281  0.646484  0.453562  1
  Al  Al390  1  0.935297  0.102046  0.409793  1
  Al  Al391  1  0.741224  0.240092  0.410257  1
  Al  Al392  1  0.241075  0.240626  0.410261  1
  Al  Al393  1  0.822814  0.577373  0.389157  1
  Al  Al394  1  0.659383  0.904381  0.435337  1
  Al  Al395  1  0.322453  0.577316  0.388805  1
  Al  Al396  1  0.158810  0.904559  0.435485  1
  Al  Al397  1  0.490931  0.240585  0.410328  1
  Al  Al398  1  0.991028  0.240799  0.410209  1
  Al  Al399  1  0.572286  0.577025  0.389238  1
  Al  Al400  1  0.409034  0.904628  0.435283  1
  Al  Al401  1  0.072792  0.578097  0.388821  1
  Al  Al402  1  0.909094  0.904445  0.435438  1
  Al  Al403  1  0.767672  0.437515  0.385699  1
  Al  Al404  1  0.267279  0.437780  0.385445  1
  Al  Al405  1  0.663176  0.646242  0.453488  1
  Al  Al406  1  0.685275  0.102088  0.409781  1
  Al  Al407  1  0.163124  0.646454  0.453608  1
  Al  Al408  1  0.185297  0.102201  0.410031  1
  Al  Al409  1  0.329486  0.313552  0.477764  1
  Al  Al410  1  0.829689  0.313302  0.477634  1
  Al  Al411  1  0.169073  0.634483  0.519492  1
  Al  Al412  1  0.251589  0.969423  0.496201  1
  Al  Al413  1  0.669085  0.634470  0.519396  1
  Al  Al414  1  0.751658  0.969285  0.496173  1
  Al  Al415  1  0.553364  0.115905  0.502301  1
  Al  Al416  1  0.053252  0.116156  0.502365  1
  Al  Al417  1  0.635514  0.451520  0.479412  1
  Al  Al418  1  0.475221  0.772246  0.521046  1
  Al  Al419  1  0.135534  0.451653  0.479433  1
  Al  Al420  1  0.975143  0.772275  0.521093  1
  Al  Al421  1  0.303267  0.116053  0.502335  1
  Al  Al422  1  0.803376  0.115951  0.502331  1
  Al  Al423  1  0.385428  0.451614  0.479540  1
  Al  Al424  1  0.225218  0.772391  0.521111  1
  Al  Al425  1  0.885575  0.451644  0.479390  1
  Al  Al426  1  0.725132  0.772167  0.521047  1
  Al  Al427  1  0.579660  0.313293  0.477719  1
  Al  Al428  1  0.079601  0.313561  0.477677  1
  Al  Al429  1  0.419155  0.634499  0.519501  1
  Al  Al430  1  0.501644  0.969340  0.496185  1
  Al  Al431  1  0.919002  0.634452  0.519387  1
  Al  Al432  1  0.001656  0.969367  0.496185  1
  Al  Al433  1  0.145790  0.180745  0.563129  1
  Al  Al434  1  0.646181  0.180542  0.562998  1
  Al  Al435  1  0.981692  0.508722  0.610007  1
  Al  Al436  1  0.063673  0.845463  0.588612  1
  Al  Al437  1  0.482215  0.508712  0.609628  1
  Al  Al438  1  0.563636  0.845389  0.588758  1
  Al  Al439  1  0.369584  0.983295  0.588879  1
  Al  Al440  1  0.869720  0.983310  0.588626  1
  Al  Al441  1  0.391474  0.439755  0.545221  1
  Al  Al442  1  0.287224  0.648120  0.613162  1
  Al  Al443  1  0.891460  0.439618  0.545152  1
  Al  Al444  1  0.787493  0.647734  0.613487  1
  Al  Al445  1  0.119619  0.983632  0.588789  1
  Al  Al446  1  0.619471  0.983360  0.588641  1
  Al  Al447  1  0.141188  0.439818  0.545258  1
  Al  Al448  1  0.037114  0.648075  0.613426  1
  Al  Al449  1  0.641755  0.439532  0.545167  1
  Al  Al450  1  0.537592  0.647795  0.613296  1
  Al  Al451  1  0.396000  0.180509  0.563072  1
  Al  Al452  1  0.895964  0.180779  0.563052  1
  Al  Al453  1  0.231704  0.508790  0.609618  1
  Al  Al454  1  0.313518  0.845584  0.588736  1
  Al  Al455  1  0.732190  0.508649  0.610017  1
  Al  Al456  1  0.813574  0.845250  0.588638  1
  Al  Al457  1  0.903496  0.165695  0.625725  1
  Al  Al458  1  0.403484  0.165782  0.625036  1
  Al  Al459  1  0.797299  0.372011  0.693653  1
  Al  Al460  1  0.875623  0.721877  0.676137  1
  Al  Al461  1  0.300676  0.372681  0.692789  1
  Al  Al462  1  0.375487  0.721196  0.676211  1
  Al  Al463  1  0.122111  0.976685  0.655164  1
  Al  Al464  1  0.623827  0.976726  0.655111  1
  Al  Al465  1  0.207124  0.308143  0.629978  1
  Al  Al466  1  0.101852  0.519808  0.698130  1
  Al  Al467  1  0.707476  0.307812  0.630124  1
  Al  Al468  1  0.600975  0.519715  0.698153  1
  Al  Al469  1  0.873053  0.976243  0.654490  1
  Al  Al470  1  0.372850  0.977053  0.654815  1
  Al  Al471  1  0.957159  0.308320  0.630438  1
  Al  Al472  1  0.850403  0.521828  0.699075  1
  Al  Al473  1  0.457085  0.308348  0.629669  1
  Al  Al474  1  0.351477  0.519577  0.697994  1
  Al  Al475  1  0.152997  0.165991  0.625381  1
  Al  Al476  1  0.653694  0.165476  0.625370  1
  Al  Al477  1  0.053395  0.371882  0.693588  1
  Al  Al478  1  0.126003  0.721350  0.676171  1
  Al  Al479  1  0.549058  0.372780  0.692837  1
  Al  Al480  1  0.625211  0.721714  0.676180  1
