# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.32212211
_cell_length_b   19.84856761
_cell_length_c   47.13298052
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.66269408
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl3
_chemical_formula_sum   'Ti168 Al504'
_cell_volume   23747.9213923
_cell_formula_units_Z   168
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  0.685546  0.251825  0.311781  1
  Ti  Ti2  1  0.352768  0.252408  0.311896  1
  Ti  Ti3  1  0.495442  0.201819  0.343572  1
  Ti  Ti4  1  0.019210  0.253389  0.311175  1
  Ti  Ti5  1  0.162150  0.201797  0.343394  1
  Ti  Ti6  1  0.519145  0.753683  0.311178  1
  Ti  Ti7  1  0.661784  0.702426  0.343171  1
  Ti  Ti8  1  0.875392  0.301075  0.282385  1
  Ti  Ti9  1  0.185724  0.753095  0.311937  1
  Ti  Ti10  1  0.374703  0.802973  0.282526  1
  Ti  Ti11  1  0.853062  0.753685  0.311897  1
  Ti  Ti12  1  0.995295  0.702071  0.343309  1
  Ti  Ti13  1  0.578803  0.951918  0.343440  1
  Ti  Ti14  1  0.245438  0.952545  0.343270  1
  Ti  Ti15  1  0.436342  0.003837  0.311955  1
  Ti  Ti16  1  0.959227  0.049927  0.282370  1
  Ti  Ti17  1  0.102604  1.002403  0.311106  1
  Ti  Ti18  1  0.458857  0.549830  0.282368  1
  Ti  Ti19  1  0.601300  0.502079  0.311090  1
  Ti  Ti20  1  0.768807  1.002033  0.311873  1
  Ti  Ti21  1  0.124528  0.551809  0.282525  1
  Ti  Ti22  1  0.268164  0.502101  0.311234  1
  Ti  Ti23  1  0.790805  0.552913  0.282567  1
  Ti  Ti24  1  0.934602  0.503421  0.311298  1
  Ti  Ti25  1  0.638687  0.152390  0.373566  1
  Ti  Ti26  1  0.305106  0.152497  0.373605  1
  Ti  Ti27  1  0.448749  0.101935  0.406047  1
  Ti  Ti28  1  0.972813  0.151432  0.374587  1
  Ti  Ti29  1  0.115287  0.102012  0.405841  1
  Ti  Ti30  1  0.472549  0.651660  0.374489  1
  Ti  Ti31  1  0.615177  0.601969  0.405714  1
  Ti  Ti32  1  0.828793  0.202160  0.342441  1
  Ti  Ti33  1  0.138858  0.652532  0.374014  1
  Ti  Ti34  1  0.328786  0.702194  0.342471  1
  Ti  Ti35  1  0.805131  0.652983  0.373969  1
  Ti  Ti36  1  0.948708  0.601838  0.405897  1
  Ti  Ti37  1  0.532019  0.851948  0.405933  1
  Ti  Ti38  1  0.198768  0.851877  0.405868  1
  Ti  Ti39  1  0.388654  0.902957  0.374032  1
  Ti  Ti40  1  0.912466  0.951790  0.342722  1
  Ti  Ti41  1  0.056112  0.901158  0.374376  1
  Ti  Ti42  1  0.411959  0.451726  0.342756  1
  Ti  Ti43  1  0.555968  0.401129  0.374311  1
  Ti  Ti44  1  0.721857  0.902631  0.373478  1
  Ti  Ti45  1  0.078667  0.451806  0.342743  1
  Ti  Ti46  1  0.222507  0.401333  0.374238  1
  Ti  Ti47  1  0.744979  0.452352  0.342466  1
  Ti  Ti48  1  0.889221  0.401832  0.374542  1
  Ti  Ti49  1  0.592178  0.051424  0.437289  1
  Ti  Ti50  1  0.258748  0.051345  0.437250  1
  Ti  Ti51  1  0.401690  1.001502  0.468489  1
  Ti  Ti52  1  0.925270  0.051532  0.437129  1
  Ti  Ti53  1  0.068552  1.001129  0.468627  1
  Ti  Ti54  1  0.425237  0.551514  0.437166  1
  Ti  Ti55  1  0.568487  0.501156  0.468575  1
  Ti  Ti56  1  0.782146  0.101803  0.405789  1
  Ti  Ti57  1  0.092025  0.551408  0.437243  1
  Ti  Ti58  1  0.282134  0.601750  0.405835  1
  Ti  Ti59  1  0.758558  0.551474  0.437131  1
  Ti  Ti60  1  0.901713  0.501423  0.468512  1
  Ti  Ti61  1  0.485020  0.751373  0.468509  1
  Ti  Ti62  1  0.151913  0.751088  0.468606  1
  Ti  Ti63  1  0.342057  0.801391  0.437253  1
  Ti  Ti64  1  0.865362  0.851956  0.405942  1
  Ti  Ti65  1  0.008714  0.801448  0.437201  1
  Ti  Ti66  1  0.365235  0.352044  0.405913  1
  Ti  Ti67  1  0.508724  0.301483  0.437251  1
  Ti  Ti68  1  0.675355  0.801407  0.437158  1
  Ti  Ti69  1  0.031904  0.352136  0.405818  1
  Ti  Ti70  1  0.175330  0.301493  0.437198  1
  Ti  Ti71  1  0.698632  0.352011  0.405696  1
  Ti  Ti72  1  0.841889  0.301553  0.437065  1
  Ti  Ti73  1  0.545106  0.950847  0.499975  1
  Ti  Ti74  1  0.211723  0.950918  0.499983  1
  Ti  Ti75  1  0.355171  0.900247  0.531512  1
  Ti  Ti76  1  0.878379  0.950878  0.499890  1
  Ti  Ti77  1  0.021577  0.900700  0.531372  1
  Ti  Ti78  1  0.378445  0.450838  0.500025  1
  Ti  Ti79  1  0.521624  0.400661  0.531465  1
  Ti  Ti80  1  0.734992  1.001372  0.468314  1
  Ti  Ti81  1  0.045087  0.450859  0.500008  1
  Ti  Ti82  1  0.235114  0.501222  0.468516  1
  Ti  Ti83  1  0.711635  0.450978  0.499889  1
  Ti  Ti84  1  0.855030  0.400439  0.531374  1
  Ti  Ti85  1  0.438429  0.650338  0.531582  1
  Ti  Ti86  1  0.104877  0.650670  0.531336  1
  Ti  Ti87  1  0.295066  0.700829  0.499998  1
  Ti  Ti88  1  0.818315  0.751448  0.468414  1
  Ti  Ti89  1  0.961721  0.700852  0.500033  1
  Ti  Ti90  1  0.318470  0.251203  0.468561  1
  Ti  Ti91  1  0.461764  0.200926  0.500016  1
  Ti  Ti92  1  0.628341  0.700855  0.499958  1
  Ti  Ti93  1  0.985152  0.251251  0.468641  1
  Ti  Ti94  1  0.128405  0.200927  0.499939  1
  Ti  Ti95  1  0.651841  0.251180  0.468483  1
  Ti  Ti96  1  0.794950  0.201016  0.499864  1
  Ti  Ti97  1  0.498010  0.850340  0.562683  1
  Ti  Ti98  1  0.164721  0.850285  0.562718  1
  Ti  Ti99  1  0.308066  0.799777  0.593986  1
  Ti  Ti100  1  0.831385  0.850375  0.562678  1
  Ti  Ti101  1  0.974758  0.799792  0.594071  1
  Ti  Ti102  1  0.331560  0.350246  0.562859  1
  Ti  Ti103  1  0.474834  0.299819  0.594220  1
  Ti  Ti104  1  0.688266  0.900538  0.531293  1
  Ti  Ti105  1  0.998141  0.350379  0.562778  1
  Ti  Ti106  1  0.188245  0.400592  0.531349  1
  Ti  Ti107  1  0.664738  0.350317  0.562729  1
  Ti  Ti108  1  0.808070  0.299859  0.593949  1
  Ti  Ti109  1  0.391351  0.549930  0.594115  1
  Ti  Ti110  1  0.058085  0.549827  0.594278  1
  Ti  Ti111  1  0.248150  0.600218  0.562808  1
  Ti  Ti112  1  0.771601  0.650581  0.531291  1
  Ti  Ti113  1  0.914863  0.600271  0.562806  1
  Ti  Ti114  1  0.271766  0.150371  0.531428  1
  Ti  Ti115  1  0.414849  0.100354  0.562788  1
  Ti  Ti116  1  0.581348  0.600374  0.562684  1
  Ti  Ti117  1  0.938364  0.150429  0.531430  1
  Ti  Ti118  1  0.081391  0.100428  0.562702  1
  Ti  Ti119  1  0.605032  0.150534  0.531473  1
  Ti  Ti120  1  0.748002  0.100390  0.562589  1
  Ti  Ti121  1  0.451645  0.749057  0.626392  1
  Ti  Ti122  1  0.117226  0.750723  0.625599  1
  Ti  Ti123  1  0.261231  0.700102  0.657166  1
  Ti  Ti124  1  0.784127  0.750556  0.625572  1
  Ti  Ti125  1  0.927781  0.700046  0.657259  1
  Ti  Ti126  1  0.284274  0.249966  0.625422  1
  Ti  Ti127  1  0.428159  0.199390  0.657498  1
  Ti  Ti128  1  0.641467  0.799701  0.594005  1
  Ti  Ti129  1  0.951488  0.248906  0.625907  1
  Ti  Ti130  1  0.141500  0.299826  0.594190  1
  Ti  Ti131  1  0.617526  0.250474  0.625726  1
  Ti  Ti132  1  0.761334  0.200008  0.657120  1
  Ti  Ti133  1  0.344941  0.449633  0.657443  1
  Ti  Ti134  1  0.011470  0.449590  0.657539  1
  Ti  Ti135  1  0.200598  0.500386  0.625350  1
  Ti  Ti136  1  0.724882  0.549755  0.594058  1
  Ti  Ti137  1  0.867577  0.500130  0.625420  1
  Ti  Ti138  1  0.224814  0.049819  0.593980  1
  Ti  Ti139  1  0.368203  0.998790  0.625971  1
  Ti  Ti140  1  0.534963  0.499371  0.626420  1
  Ti  Ti141  1  0.891268  0.050042  0.593911  1
  Ti  Ti142  1  0.034851  0.999384  0.626291  1
  Ti  Ti143  1  0.558029  0.050016  0.594099  1
  Ti  Ti144  1  0.701295  0.999175  0.625875  1
  Ti  Ti145  1  0.404809  0.649694  0.688028  1
  Ti  Ti146  1  0.071746  0.649962  0.688823  1
  Ti  Ti147  1  0.214405  0.601991  0.717556  1
  Ti  Ti148  1  0.737859  0.649237  0.688770  1
  Ti  Ti149  1  0.881213  0.601817  0.717562  1
  Ti  Ti150  1  0.237632  0.147947  0.688729  1
  Ti  Ti151  1  0.382536  0.098746  0.717393  1
  Ti  Ti152  1  0.594757  0.699690  0.656454  1
  Ti  Ti153  1  0.904709  0.148379  0.687852  1
  Ti  Ti154  1  0.095047  0.199358  0.656684  1
  Ti  Ti155  1  0.572033  0.149590  0.688773  1
  Ti  Ti156  1  0.715241  0.099926  0.717412  1
  Ti  Ti157  1  0.297936  0.350899  0.717542  1
  Ti  Ti158  1  0.965784  0.348908  0.717380  1
  Ti  Ti159  1  0.155265  0.398700  0.688795  1
  Ti  Ti160  1  0.678218  0.450012  0.656484  1
  Ti  Ti161  1  0.821057  0.398190  0.688644  1
  Ti  Ti162  1  0.177770  0.949990  0.656461  1
  Ti  Ti163  1  0.320514  0.898100  0.687998  1
  Ti  Ti164  1  0.487982  0.399859  0.688137  1
  Ti  Ti165  1  0.844480  0.949607  0.656586  1
  Ti  Ti166  1  0.986912  0.899550  0.688104  1
  Ti  Ti167  1  0.511493  0.949406  0.656709  1
  Ti  Ti168  1  0.653453  0.898264  0.688084  1
  Al  Al169  1  0.589634  0.229027  0.327073  1
  Al  Al170  1  0.256529  0.229080  0.326958  1
  Al  Al171  1  0.447361  0.279392  0.298453  1
  Al  Al172  1  0.925075  0.226393  0.327964  1
  Al  Al173  1  0.114146  0.279736  0.298340  1
  Al  Al174  1  0.424833  0.727084  0.327889  1
  Al  Al175  1  0.614109  0.779749  0.298123  1
  Al  Al176  1  0.779739  0.278769  0.296604  1
  Al  Al177  1  0.090082  0.728482  0.327025  1
  Al  Al178  1  0.279864  0.779011  0.296607  1
  Al  Al179  1  0.756833  0.728728  0.326805  1
  Al  Al180  1  0.947903  0.779430  0.298261  1
  Al  Al181  1  0.596087  0.364937  0.319506  1
  Al  Al182  1  0.262829  0.364999  0.319535  1
  Al  Al183  1  0.453198  0.415592  0.290514  1
  Al  Al184  1  0.929478  0.365870  0.319399  1
  Al  Al185  1  0.119794  0.416668  0.290425  1
  Al  Al186  1  0.429607  0.866672  0.319370  1
  Al  Al187  1  0.618206  0.916685  0.291421  1
  Al  Al188  1  0.788257  0.415436  0.289573  1
  Al  Al189  1  0.096346  0.865499  0.319576  1
  Al  Al190  1  0.287518  0.915089  0.290925  1
  Al  Al191  1  0.762717  0.865294  0.319324  1
  Al  Al192  1  0.953856  0.915624  0.290501  1
  Al  Al193  1  0.690936  0.390311  0.304334  1
  Al  Al194  1  0.357649  0.390374  0.304485  1
  Al  Al195  1  0.501581  0.339306  0.335539  1
  Al  Al196  1  0.024151  0.391259  0.304259  1
  Al  Al197  1  0.168251  0.339438  0.335411  1
  Al  Al198  1  0.524453  0.891495  0.304542  1
  Al  Al199  1  0.668191  0.839709  0.335207  1
  Al  Al200  1  0.834287  0.339867  0.336123  1
  Al  Al201  1  0.191648  0.891098  0.304584  1
  Al  Al202  1  0.334280  0.839987  0.336340  1
  Al  Al203  1  0.858130  0.890873  0.304369  1
  Al  Al204  1  0.002006  0.839335  0.335484  1
  Al  Al205  1  0.672882  0.979166  0.326939  1
  Al  Al206  1  0.340367  0.978880  0.326923  1
  Al  Al207  1  0.531011  0.029999  0.298356  1
  Al  Al208  1  0.008346  0.976787  0.328215  1
  Al  Al209  1  0.197429  0.029608  0.298190  1
  Al  Al210  1  0.507605  0.476611  0.328280  1
  Al  Al211  1  0.695793  0.528927  0.296582  1
  Al  Al212  1  0.863324  0.028467  0.296768  1
  Al  Al213  1  0.174181  0.476975  0.328115  1
  Al  Al214  1  0.362953  0.528650  0.296795  1
  Al  Al215  1  0.840858  0.476926  0.327962  1
  Al  Al216  1  0.029385  0.529029  0.296825  1
  Al  Al217  1  0.679333  0.115148  0.319329  1
  Al  Al218  1  0.346109  0.115672  0.319419  1
  Al  Al219  1  0.535008  0.166818  0.291555  1
  Al  Al220  1  0.013158  0.115747  0.319292  1
  Al  Al221  1  0.201490  0.166652  0.291422  1
  Al  Al222  1  0.512637  0.616143  0.319200  1
  Al  Al223  1  0.703633  0.664925  0.290849  1
  Al  Al224  1  0.872144  0.164379  0.289607  1
  Al  Al225  1  0.179360  0.615992  0.319298  1
  Al  Al226  1  0.372306  0.665276  0.289634  1
  Al  Al227  1  0.845799  0.616821  0.319307  1
  Al  Al228  1  0.037576  0.664510  0.290961  1
  Al  Al229  1  0.584869  0.089639  0.335393  1
  Al  Al230  1  0.251605  0.089761  0.335206  1
  Al  Al231  1  0.441329  0.141195  0.304731  1
  Al  Al232  1  0.917999  0.089464  0.336131  1
  Al  Al233  1  0.107778  0.140845  0.304576  1
  Al  Al234  1  0.417692  0.589475  0.336116  1
  Al  Al235  1  0.607619  0.640942  0.304482  1
  Al  Al236  1  0.774641  0.140145  0.304377  1
  Al  Al237  1  0.084135  0.589572  0.336392  1
  Al  Al238  1  0.274483  0.640505  0.304280  1
  Al  Al239  1  0.750488  0.590010  0.336343  1
  Al  Al240  1  0.941211  0.641357  0.304482  1
  Al  Al241  1  0.544107  0.126808  0.390305  1
  Al  Al242  1  0.210634  0.126615  0.390144  1
  Al  Al243  1  0.400464  0.177105  0.358970  1
  Al  Al244  1  0.877023  0.127431  0.390087  1
  Al  Al245  1  0.066997  0.177808  0.358760  1
  Al  Al246  1  0.376935  0.627405  0.390087  1
  Al  Al247  1  0.566803  0.677945  0.358703  1
  Al  Al248  1  0.734102  0.176935  0.358701  1
  Al  Al249  1  0.043791  0.627276  0.390395  1
  Al  Al250  1  0.234099  0.677405  0.358879  1
  Al  Al251  1  0.710189  0.627565  0.390297  1
  Al  Al252  1  0.900386  0.677689  0.359004  1
  Al  Al253  1  0.549658  0.264214  0.382427  1
  Al  Al254  1  0.216199  0.264333  0.382338  1
  Al  Al255  1  0.406133  0.314662  0.351396  1
  Al  Al256  1  0.883049  0.264034  0.382268  1
  Al  Al257  1  0.072679  0.314777  0.351176  1
  Al  Al258  1  0.382976  0.764510  0.382287  1
  Al  Al259  1  0.572580  0.814932  0.351208  1
  Al  Al260  1  0.739382  0.314717  0.350942  1
  Al  Al261  1  0.049631  0.764238  0.382363  1
  Al  Al262  1  0.239674  0.814947  0.351184  1
  Al  Al263  1  0.716049  0.765047  0.382133  1
  Al  Al264  1  0.906423  0.815017  0.351415  1
  Al  Al265  1  0.644984  0.289626  0.366367  1
  Al  Al266  1  0.311551  0.289749  0.366449  1
  Al  Al267  1  0.454570  0.239446  0.398156  1
  Al  Al268  1  0.978349  0.289639  0.366369  1
  Al  Al269  1  0.121272  0.239530  0.398002  1
  Al  Al270  1  0.478038  0.790068  0.366366  1
  Al  Al271  1  0.621230  0.739521  0.397948  1
  Al  Al272  1  0.788073  0.239472  0.397587  1
  Al  Al273  1  0.145045  0.789724  0.366522  1
  Al  Al274  1  0.288267  0.739404  0.397719  1
  Al  Al275  1  0.811257  0.790370  0.366398  1
  Al  Al276  1  0.954640  0.739419  0.398079  1
  Al  Al277  1  0.627333  0.876817  0.390133  1
  Al  Al278  1  0.293768  0.877640  0.390442  1
  Al  Al279  1  0.483777  0.927823  0.359056  1
  Al  Al280  1  0.960608  0.876904  0.390067  1
  Al  Al281  1  0.150522  0.927304  0.358655  1
  Al  Al282  1  0.460490  0.376847  0.390065  1
  Al  Al283  1  0.650273  0.427332  0.358495  1
  Al  Al284  1  0.817398  0.927094  0.358770  1
  Al  Al285  1  0.127133  0.376939  0.390007  1
  Al  Al286  1  0.316965  0.427356  0.358650  1
  Al  Al287  1  0.793514  0.377677  0.390073  1
  Al  Al288  1  0.983590  0.427879  0.358685  1
  Al  Al289  1  0.632912  0.014816  0.382274  1
  Al  Al290  1  0.299527  0.014988  0.382264  1
  Al  Al291  1  0.489789  0.064827  0.351562  1
  Al  Al292  1  0.966563  0.013820  0.382415  1
  Al  Al293  1  0.155911  0.064656  0.351129  1
  Al  Al294  1  0.466334  0.513862  0.382396  1
  Al  Al295  1  0.655418  0.564700  0.350797  1
  Al  Al296  1  0.822962  0.064531  0.351027  1
  Al  Al297  1  0.133023  0.514239  0.382367  1
  Al  Al298  1  0.322444  0.564533  0.350870  1
  Al  Al299  1  0.799455  0.514544  0.382237  1
  Al  Al300  1  0.989100  0.564579  0.351040  1
  Al  Al301  1  0.538137  0.989407  0.398149  1
  Al  Al302  1  0.204587  0.989496  0.397995  1
  Al  Al303  1  0.394614  0.040407  0.366492  1
  Al  Al304  1  0.871529  0.989349  0.397707  1
  Al  Al305  1  0.061921  0.039339  0.366339  1
  Al  Al306  1  0.371411  0.489399  0.397724  1
  Al  Al307  1  0.561546  0.539447  0.366315  1
  Al  Al308  1  0.728015  0.040106  0.366362  1
  Al  Al309  1  0.038149  0.489491  0.397762  1
  Al  Al310  1  0.228132  0.539712  0.366381  1
  Al  Al311  1  0.704583  0.489624  0.397583  1
  Al  Al312  1  0.894497  0.540170  0.366436  1
  Al  Al313  1  0.496970  0.026388  0.452991  1
  Al  Al314  1  0.163564  0.026396  0.452900  1
  Al  Al315  1  0.353369  0.077149  0.421234  1
  Al  Al316  1  0.830245  0.026184  0.452766  1
  Al  Al317  1  0.020470  0.076453  0.421615  1
  Al  Al318  1  0.330274  0.526195  0.452890  1
  Al  Al319  1  0.520334  0.576531  0.421550  1
  Al  Al320  1  0.686774  0.077164  0.421156  1
  Al  Al321  1  0.996923  0.526319  0.452920  1
  Al  Al322  1  0.186888  0.576843  0.421329  1
  Al  Al323  1  0.663473  0.526350  0.452759  1
  Al  Al324  1  0.853397  0.576974  0.421267  1
  Al  Al325  1  0.502873  0.163916  0.445256  1
  Al  Al326  1  0.169437  0.163898  0.445142  1
  Al  Al327  1  0.359078  0.214218  0.413609  1
  Al  Al328  1  0.835977  0.164009  0.445077  1
  Al  Al329  1  0.026074  0.214459  0.413833  1
  Al  Al330  1  0.335991  0.663903  0.445172  1
  Al  Al331  1  0.525965  0.714437  0.413750  1
  Al  Al332  1  0.692615  0.214207  0.413488  1
  Al  Al333  1  0.002697  0.663891  0.445238  1
  Al  Al334  1  0.192814  0.714189  0.413720  1
  Al  Al335  1  0.669218  0.663902  0.445135  1
  Al  Al336  1  0.859220  0.714362  0.413658  1
  Al  Al337  1  0.598166  0.188966  0.428974  1
  Al  Al338  1  0.264706  0.188956  0.428997  1
  Al  Al339  1  0.407742  0.138953  0.460693  1
  Al  Al340  1  0.931308  0.189079  0.429266  1
  Al  Al341  1  0.074458  0.138791  0.460674  1
  Al  Al342  1  0.431263  0.689045  0.429215  1
  Al  Al343  1  0.574358  0.638813  0.460611  1
  Al  Al344  1  0.741084  0.138846  0.460513  1
  Al  Al345  1  0.098117  0.688965  0.429152  1
  Al  Al346  1  0.241175  0.638694  0.460641  1
  Al  Al347  1  0.764581  0.689128  0.429051  1
  Al  Al348  1  0.907688  0.638945  0.460643  1
  Al  Al349  1  0.580204  0.776396  0.452928  1
  Al  Al350  1  0.246977  0.776222  0.452874  1
  Al  Al351  1  0.436798  0.826934  0.421295  1
  Al  Al352  1  0.913569  0.776389  0.452954  1
  Al  Al353  1  0.103807  0.826519  0.421590  1
  Al  Al354  1  0.413552  0.276373  0.452929  1
  Al  Al355  1  0.603727  0.326670  0.421528  1
  Al  Al356  1  0.770003  0.827111  0.421119  1
  Al  Al357  1  0.080183  0.276493  0.452898  1
  Al  Al358  1  0.270292  0.326704  0.421531  1
  Al  Al359  1  0.746854  0.276310  0.452708  1
  Al  Al360  1  0.937049  0.326539  0.421554  1
  Al  Al361  1  0.586135  0.913885  0.445184  1
  Al  Al362  1  0.252734  0.913856  0.445238  1
  Al  Al363  1  0.442592  0.964414  0.413733  1
  Al  Al364  1  0.919432  0.913955  0.445114  1
  Al  Al365  1  0.109415  0.964251  0.413751  1
  Al  Al366  1  0.419375  0.413937  0.445160  1
  Al  Al367  1  0.609317  0.464308  0.413651  1
  Al  Al368  1  0.775802  0.964251  0.413433  1
  Al  Al369  1  0.086003  0.413932  0.445136  1
  Al  Al370  1  0.275923  0.464300  0.413667  1
  Al  Al371  1  0.752558  0.413996  0.445058  1
  Al  Al372  1  0.942700  0.464465  0.413769  1
  Al  Al373  1  0.491004  0.888944  0.460657  1
  Al  Al374  1  0.157844  0.888721  0.460680  1
  Al  Al375  1  0.348042  0.939088  0.429150  1
  Al  Al376  1  0.824299  0.888949  0.460582  1
  Al  Al377  1  0.014738  0.938959  0.429203  1
  Al  Al378  1  0.324444  0.388808  0.460707  1
  Al  Al379  1  0.514657  0.438980  0.429168  1
  Al  Al380  1  0.681391  0.938995  0.428841  1
  Al  Al381  1  0.991065  0.388872  0.460673  1
  Al  Al382  1  0.181311  0.439007  0.429115  1
  Al  Al383  1  0.657780  0.388782  0.460573  1
  Al  Al384  1  0.847882  0.439170  0.429215  1
  Al  Al385  1  0.449935  0.925840  0.515605  1
  Al  Al386  1  0.116637  0.925806  0.515710  1
  Al  Al387  1  0.306902  0.975905  0.484368  1
  Al  Al388  1  0.783211  0.925878  0.515529  1
  Al  Al389  1  0.973450  0.976054  0.484233  1
  Al  Al390  1  0.283332  0.425725  0.515691  1
  Al  Al391  1  0.473466  0.476005  0.484282  1
  Al  Al392  1  0.640195  0.975915  0.484237  1
  Al  Al393  1  0.949968  0.425790  0.515635  1
  Al  Al394  1  0.140138  0.475986  0.484279  1
  Al  Al395  1  0.616603  0.425853  0.515704  1
  Al  Al396  1  0.806764  0.476074  0.484265  1
  Al  Al397  1  0.455744  0.063351  0.507923  1
  Al  Al398  1  0.122416  0.063380  0.507901  1
  Al  Al399  1  0.312482  0.113718  0.476525  1
  Al  Al400  1  0.788984  0.063375  0.507738  1
  Al  Al401  1  0.979178  0.113614  0.476545  1
  Al  Al402  1  0.289085  0.563257  0.507933  1
  Al  Al403  1  0.479138  0.613664  0.476581  1
  Al  Al404  1  0.645850  0.113760  0.476529  1
  Al  Al405  1  0.955728  0.563307  0.507939  1
  Al  Al406  1  0.145875  0.613614  0.476521  1
  Al  Al407  1  0.622350  0.563369  0.507868  1
  Al  Al408  1  0.812439  0.613787  0.476428  1
  Al  Al409  1  0.551108  0.088441  0.492113  1
  Al  Al410  1  0.217756  0.088440  0.492051  1
  Al  Al411  1  0.361035  0.037975  0.523463  1
  Al  Al412  1  0.884328  0.088518  0.491984  1
  Al  Al413  1  0.027607  0.038127  0.523445  1
  Al  Al414  1  0.384437  0.588414  0.492093  1
  Al  Al415  1  0.527604  0.538061  0.523447  1
  Al  Al416  1  0.694240  0.038096  0.523295  1
  Al  Al417  1  0.051020  0.588406  0.492069  1
  Al  Al418  1  0.194239  0.538168  0.523399  1
  Al  Al419  1  0.717662  0.588466  0.491965  1
  Al  Al420  1  0.860939  0.538143  0.523398  1
  Al  Al421  1  0.533203  0.675851  0.515638  1
  Al  Al422  1  0.200001  0.675698  0.515713  1
  Al  Al423  1  0.390196  0.725889  0.484381  1
  Al  Al424  1  0.866598  0.675800  0.515617  1
  Al  Al425  1  0.056797  0.725979  0.484247  1
  Al  Al426  1  0.366690  0.175744  0.515680  1
  Al  Al427  1  0.556897  0.225930  0.484305  1
  Al  Al428  1  0.723423  0.726011  0.484214  1
  Al  Al429  1  0.033313  0.175804  0.515673  1
  Al  Al430  1  0.223525  0.225947  0.484287  1
  Al  Al431  1  0.699903  0.175889  0.515595  1
  Al  Al432  1  0.890094  0.226073  0.484265  1
  Al  Al433  1  0.539011  0.813338  0.507871  1
  Al  Al434  1  0.205769  0.813314  0.507911  1
  Al  Al435  1  0.395825  0.863780  0.476547  1
  Al  Al436  1  0.872348  0.813331  0.507857  1
  Al  Al437  1  0.062564  0.863586  0.476552  1
  Al  Al438  1  0.372413  0.313309  0.507977  1
  Al  Al439  1  0.562546  0.363638  0.476586  1
  Al  Al440  1  0.729100  0.863812  0.476398  1
  Al  Al441  1  0.039083  0.313366  0.507944  1
  Al  Al442  1  0.229192  0.363647  0.476532  1
  Al  Al443  1  0.705653  0.313430  0.507837  1
  Al  Al444  1  0.895799  0.363702  0.476490  1
  Al  Al445  1  0.444316  0.787903  0.523449  1
  Al  Al446  1  0.110878  0.788177  0.523396  1
  Al  Al447  1  0.301111  0.838394  0.492092  1
  Al  Al448  1  0.777572  0.788162  0.523313  1
  Al  Al449  1  0.967720  0.838439  0.492030  1
  Al  Al450  1  0.277626  0.288104  0.523450  1
  Al  Al451  1  0.467757  0.338455  0.492096  1
  Al  Al452  1  0.634381  0.838371  0.491993  1
  Al  Al453  1  0.944285  0.288078  0.523471  1
  Al  Al454  1  0.134382  0.338439  0.492034  1
  Al  Al455  1  0.610913  0.288131  0.523393  1
  Al  Al456  1  0.800998  0.338537  0.491936  1
  Al  Al457  1  0.403437  0.824565  0.578777  1
  Al  Al458  1  0.069653  0.825212  0.578361  1
  Al  Al459  1  0.259890  0.875371  0.547005  1
  Al  Al460  1  0.736377  0.825165  0.578331  1
  Al  Al461  1  0.926528  0.875473  0.547025  1
  Al  Al462  1  0.236394  0.325287  0.578413  1
  Al  Al463  1  0.426593  0.375521  0.547199  1
  Al  Al464  1  0.593211  0.875332  0.547006  1
  Al  Al465  1  0.903312  0.324899  0.578624  1
  Al  Al466  1  0.093227  0.375429  0.547131  1
  Al  Al467  1  0.569772  0.325125  0.578465  1
  Al  Al468  1  0.759835  0.375417  0.546924  1
  Al  Al469  1  0.408822  0.962667  0.570864  1
  Al  Al470  1  0.075332  0.962872  0.570928  1
  Al  Al471  1  0.265839  0.012796  0.539289  1
  Al  Al472  1  0.741968  0.962804  0.570704  1
  Al  Al473  1  0.932307  0.012971  0.539239  1
  Al  Al474  1  0.242119  0.462706  0.570690  1
  Al  Al475  1  0.432354  0.512915  0.539387  1
  Al  Al476  1  0.599020  0.012984  0.539310  1
  Al  Al477  1  0.908867  0.462695  0.570713  1
  Al  Al478  1  0.098930  0.513067  0.539350  1
  Al  Al479  1  0.575381  0.462838  0.571015  1
  Al  Al480  1  0.765672  0.512944  0.539221  1
  Al  Al481  1  0.504105  0.987879  0.554736  1
  Al  Al482  1  0.170660  0.987881  0.554752  1
  Al  Al483  1  0.314257  0.937326  0.586262  1
  Al  Al484  1  0.837310  0.987919  0.554617  1
  Al  Al485  1  0.980874  0.937663  0.586325  1
  Al  Al486  1  0.337463  0.487777  0.554836  1
  Al  Al487  1  0.480937  0.437604  0.586464  1
  Al  Al488  1  0.647410  0.937470  0.586168  1
  Al  Al489  1  0.004195  0.487842  0.554863  1
  Al  Al490  1  0.147236  0.437418  0.586179  1
  Al  Al491  1  0.670687  0.487903  0.554749  1
  Al  Al492  1  0.814149  0.437361  0.586123  1
  Al  Al493  1  0.486741  0.574575  0.578780  1
  Al  Al494  1  0.152920  0.575331  0.578344  1
  Al  Al495  1  0.343188  0.625521  0.547129  1
  Al  Al496  1  0.819751  0.575241  0.578348  1
  Al  Al497  1  0.009887  0.625477  0.547175  1
  Al  Al498  1  0.320050  0.074825  0.578671  1
  Al  Al499  1  0.509874  0.125584  0.547119  1
  Al  Al500  1  0.676559  0.625357  0.547012  1
  Al  Al501  1  0.986688  0.074743  0.578672  1
  Al  Al502  1  0.176577  0.125353  0.546971  1
  Al  Al503  1  0.653242  0.074892  0.578597  1
  Al  Al504  1  0.843088  0.125593  0.546940  1
  Al  Al505  1  0.492049  0.712715  0.571023  1
  Al  Al506  1  0.158689  0.712801  0.570767  1
  Al  Al507  1  0.349125  0.762761  0.539334  1
  Al  Al508  1  0.825432  0.712819  0.570715  1
  Al  Al509  1  0.015614  0.763066  0.539277  1
  Al  Al510  1  0.325554  0.212659  0.570732  1
  Al  Al511  1  0.515701  0.263026  0.539359  1
  Al  Al512  1  0.682324  0.762938  0.539222  1
  Al  Al513  1  0.992111  0.212709  0.570817  1
  Al  Al514  1  0.182387  0.262937  0.539307  1
  Al  Al515  1  0.658752  0.212824  0.570836  1
  Al  Al516  1  0.849030  0.262924  0.539213  1
  Al  Al517  1  0.397651  0.687472  0.586463  1
  Al  Al518  1  0.064004  0.687471  0.586241  1
  Al  Al519  1  0.254018  0.737777  0.554799  1
  Al  Al520  1  0.730845  0.687438  0.586169  1
  Al  Al521  1  0.920694  0.737841  0.554831  1
  Al  Al522  1  0.230785  0.187355  0.586166  1
  Al  Al523  1  0.420880  0.237848  0.554862  1
  Al  Al524  1  0.587307  0.737866  0.554735  1
  Al  Al525  1  0.897453  0.187494  0.586202  1
  Al  Al526  1  0.087493  0.237925  0.554754  1
  Al  Al527  1  0.564128  0.187511  0.586330  1
  Al  Al528  1  0.754000  0.237910  0.554710  1
  Al  Al529  1  0.356183  0.724695  0.641131  1
  Al  Al530  1  0.022833  0.724560  0.641374  1
  Al  Al531  1  0.212803  0.774865  0.609858  1
  Al  Al532  1  0.689815  0.724335  0.641216  1
  Al  Al533  1  0.879536  0.774952  0.609898  1
  Al  Al534  1  0.189966  0.223827  0.641199  1
  Al  Al535  1  0.379927  0.274162  0.609859  1
  Al  Al536  1  0.546119  0.774758  0.609689  1
  Al  Al537  1  0.856230  0.224176  0.640922  1
  Al  Al538  1  0.046473  0.274230  0.609589  1
  Al  Al539  1  0.523055  0.224365  0.641423  1
  Al  Al540  1  0.712908  0.274909  0.609890  1
  Al  Al541  1  0.362232  0.861344  0.633500  1
  Al  Al542  1  0.028241  0.862256  0.633528  1
  Al  Al543  1  0.218716  0.912368  0.601827  1
  Al  Al544  1  0.695047  0.861966  0.633466  1
  Al  Al545  1  0.885470  0.912412  0.601857  1
  Al  Al546  1  0.195203  0.362155  0.633574  1
  Al  Al547  1  0.385445  0.412305  0.602307  1
  Al  Al548  1  0.552104  0.912287  0.601872  1
  Al  Al549  1  0.862097  0.361758  0.633499  1
  Al  Al550  1  0.052005  0.412224  0.602364  1
  Al  Al551  1  0.528573  0.362098  0.633577  1
  Al  Al552  1  0.718823  0.412334  0.601864  1
  Al  Al553  1  0.457348  0.886697  0.617733  1
  Al  Al554  1  0.123716  0.887563  0.617529  1
  Al  Al555  1  0.266971  0.836971  0.648472  1
  Al  Al556  1  0.790420  0.887437  0.617519  1
  Al  Al557  1  0.933721  0.837059  0.648622  1
  Al  Al558  1  0.290475  0.387792  0.617646  1
  Al  Al559  1  0.434136  0.336932  0.648982  1
  Al  Al560  1  0.600365  0.836700  0.648498  1
  Al  Al561  1  0.957193  0.387333  0.617707  1
  Al  Al562  1  0.101052  0.337029  0.649063  1
  Al  Al563  1  0.623917  0.387506  0.617612  1
  Al  Al564  1  0.767498  0.336990  0.648650  1
  Al  Al565  1  0.439549  0.474805  0.641197  1
  Al  Al566  1  0.106323  0.474114  0.641390  1
  Al  Al567  1  0.296452  0.524343  0.609839  1
  Al  Al568  1  0.773334  0.473904  0.641104  1
  Al  Al569  1  0.963216  0.524321  0.609894  1
  Al  Al570  1  0.272977  0.973977  0.640905  1
  Al  Al571  1  0.463121  0.024254  0.609612  1
  Al  Al572  1  0.629503  0.525158  0.609775  1
  Al  Al573  1  0.939378  0.974833  0.641020  1
  Al  Al574  1  0.129432  0.025132  0.609729  1
  Al  Al575  1  0.606226  0.974184  0.640949  1
  Al  Al576  1  0.796233  0.024429  0.609422  1
  Al  Al577  1  0.445545  0.611580  0.633537  1
  Al  Al578  1  0.111578  0.612518  0.633616  1
  Al  Al579  1  0.301968  0.662380  0.602188  1
  Al  Al580  1  0.778441  0.612275  0.633563  1
  Al  Al581  1  0.968666  0.662326  0.602303  1
  Al  Al582  1  0.278785  0.111631  0.633571  1
  Al  Al583  1  0.468702  0.162292  0.602356  1
  Al  Al584  1  0.635544  0.662249  0.601867  1
  Al  Al585  1  0.945537  0.111483  0.633350  1
  Al  Al586  1  0.135558  0.162262  0.601914  1
  Al  Al587  1  0.612012  0.112028  0.633579  1
  Al  Al588  1  0.801801  0.162448  0.602025  1
  Al  Al589  1  0.350644  0.587257  0.648873  1
  Al  Al590  1  0.017566  0.587319  0.649184  1
  Al  Al591  1  0.206913  0.638033  0.617526  1
  Al  Al592  1  0.684353  0.587227  0.648737  1
  Al  Al593  1  0.873691  0.637891  0.617556  1
  Al  Al594  1  0.184193  0.086843  0.648675  1
  Al  Al595  1  0.373867  0.137204  0.617707  1
  Al  Al596  1  0.540612  0.636908  0.617654  1
  Al  Al597  1  0.850434  0.087054  0.648587  1
  Al  Al598  1  0.040683  0.136911  0.617688  1
  Al  Al599  1  0.517811  0.087180  0.649068  1
  Al  Al600  1  0.707034  0.137531  0.617503  1
  Al  Al601  1  0.310302  0.623351  0.703134  1
  Al  Al602  1  0.977048  0.623201  0.703191  1
  Al  Al603  1  0.165539  0.675334  0.671661  1
  Al  Al604  1  0.643003  0.622068  0.701592  1
  Al  Al605  1  0.831966  0.675027  0.671753  1
  Al  Al606  1  0.142598  0.121845  0.701744  1
  Al  Al607  1  0.332027  0.174637  0.672102  1
  Al  Al608  1  0.500680  0.672492  0.672927  1
  Al  Al609  1  0.810349  0.122734  0.703064  1
  Al  Al610  1  1.000277  0.173104  0.672952  1
  Al  Al611  1  0.477478  0.122908  0.703347  1
  Al  Al612  1  0.665898  0.174703  0.671771  1
  Al  Al613  1  0.315558  0.760906  0.695537  1
  Al  Al614  1  0.982077  0.761561  0.695509  1
  Al  Al615  1  0.171520  0.812524  0.664399  1
  Al  Al616  1  0.648840  0.760547  0.695272  1
  Al  Al617  1  0.838106  0.812399  0.664524  1
  Al  Al618  1  0.149039  0.260352  0.695520  1
  Al  Al619  1  0.339109  0.311963  0.663832  1
  Al  Al620  1  0.505228  0.811947  0.664661  1
  Al  Al621  1  0.815771  0.260557  0.695604  1
  Al  Al622  1  0.006139  0.311819  0.663573  1
  Al  Al623  1  0.482413  0.261381  0.695567  1
  Al  Al624  1  0.671892  0.312398  0.664484  1
  Al  Al625  1  0.410855  0.786452  0.680570  1
  Al  Al626  1  0.076921  0.787035  0.680379  1
  Al  Al627  1  0.219853  0.736229  0.709417  1
  Al  Al628  1  0.743631  0.786390  0.680344  1
  Al  Al629  1  0.886598  0.736191  0.709485  1
  Al  Al630  1  0.244069  0.285318  0.680633  1
  Al  Al631  1  0.384914  0.236296  0.710363  1
  Al  Al632  1  0.555306  0.734872  0.708462  1
  Al  Al633  1  0.910720  0.285554  0.680525  1
  Al  Al634  1  0.053007  0.236854  0.709036  1
  Al  Al635  1  0.577374  0.286712  0.680463  1
  Al  Al636  1  0.720135  0.235051  0.709456  1
  Al  Al637  1  0.393727  0.372936  0.703317  1
  Al  Al638  1  0.060677  0.372821  0.703368  1
  Al  Al639  1  0.248884  0.425399  0.671812  1
  Al  Al640  1  0.726065  0.372006  0.701546  1
  Al  Al641  1  0.915354  0.424903  0.672078  1
  Al  Al642  1  0.225708  0.872180  0.701532  1
  Al  Al643  1  0.416563  0.923103  0.673107  1
  Al  Al644  1  0.583974  0.422808  0.672966  1
  Al  Al645  1  0.892307  0.872651  0.701646  1
  Al  Al646  1  0.083308  0.922724  0.672931  1
  Al  Al647  1  0.558967  0.871966  0.701772  1
  Al  Al648  1  0.749529  0.923092  0.672938  1
  Al  Al649  1  0.398973  0.511609  0.695556  1
  Al  Al650  1  0.065837  0.511270  0.695731  1
  Al  Al651  1  0.255651  0.562382  0.663757  1
  Al  Al652  1  0.732637  0.510841  0.695298  1
  Al  Al653  1  0.922387  0.562241  0.663837  1
  Al  Al654  1  0.232238  0.010257  0.695369  1
  Al  Al655  1  0.422763  0.061770  0.663606  1
  Al  Al656  1  0.588861  0.562123  0.664626  1
  Al  Al657  1  0.898344  0.010790  0.695279  1
  Al  Al658  1  0.088490  0.062105  0.664634  1
  Al  Al659  1  0.565493  0.010967  0.695413  1
  Al  Al660  1  0.755712  0.062211  0.663539  1
  Al  Al661  1  0.301474  0.487480  0.710279  1
  Al  Al662  1  0.967985  0.486630  0.710355  1
  Al  Al663  1  0.160616  0.536256  0.680624  1
  Al  Al664  1  0.638880  0.485217  0.708474  1
  Al  Al665  1  0.827293  0.535844  0.680673  1
  Al  Al666  1  0.138264  0.985025  0.708445  1
  Al  Al667  1  0.327292  0.035202  0.680625  1
  Al  Al668  1  0.494272  0.536552  0.680623  1
  Al  Al669  1  0.802140  0.987135  0.708921  1
  Al  Al670  1  0.994130  0.035998  0.680510  1
  Al  Al671  1  0.469680  0.986819  0.709074  1
  Al  Al672  1  0.660632  0.035327  0.680639  1
