# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.15240426
_cell_length_b   25.25722350
_cell_length_c   47.49257149
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.10032633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl3
_chemical_formula_sum   'Ti126 Al378'
_cell_volume   16723.4694201
_cell_formula_units_Z   126
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  0.896897  0.690853  0.282274  1
  Ti  Ti2  1  0.230383  0.359310  0.282247  1
  Ti  Ti3  1  0.132795  0.668812  0.326073  1
  Ti  Ti4  1  0.516256  0.679459  0.303613  1
  Ti  Ti5  1  0.847600  0.348513  0.303532  1
  Ti  Ti6  1  0.181834  0.013957  0.303589  1
  Ti  Ti7  1  0.563852  0.025739  0.282136  1
  Ti  Ti8  1  0.466130  0.335592  0.326124  1
  Ti  Ti9  1  0.799329  1.002176  0.325992  1
  Ti  Ti10  1  0.609645  0.495850  0.337021  1
  Ti  Ti11  1  0.087851  0.194755  0.272177  1
  Ti  Ti12  1  0.991392  0.508247  0.314915  1
  Ti  Ti13  1  0.373156  0.519750  0.292545  1
  Ti  Ti14  1  0.705928  0.187061  0.292418  1
  Ti  Ti15  1  0.039373  0.853269  0.292414  1
  Ti  Ti16  1  0.421566  0.860851  0.272134  1
  Ti  Ti17  1  0.323609  0.175151  0.314196  1
  Ti  Ti18  1  0.657192  0.841328  0.314091  1
  Ti  Ti19  1  0.752426  0.656040  0.347227  1
  Ti  Ti20  1  0.085685  0.323342  0.347540  1
  Ti  Ti21  1  0.989738  0.634392  0.392860  1
  Ti  Ti22  1  0.370642  0.646499  0.370437  1
  Ti  Ti23  1  0.704013  0.313269  0.370360  1
  Ti  Ti24  1  0.037408  0.979814  0.370270  1
  Ti  Ti25  1  0.419127  0.989981  0.347397  1
  Ti  Ti26  1  0.323040  0.301020  0.392814  1
  Ti  Ti27  1  0.656421  0.967755  0.392651  1
  Ti  Ti28  1  0.465375  0.462102  0.403927  1
  Ti  Ti29  1  0.943188  0.162702  0.336052  1
  Ti  Ti30  1  0.846715  0.473884  0.381387  1
  Ti  Ti31  1  0.228158  0.485429  0.359182  1
  Ti  Ti32  1  0.561592  0.152279  0.358944  1
  Ti  Ti33  1  0.894945  0.818695  0.358887  1
  Ti  Ti34  1  0.276847  0.828849  0.336039  1
  Ti  Ti35  1  0.180767  0.140073  0.381961  1
  Ti  Ti36  1  0.514253  0.806594  0.381915  1
  Ti  Ti37  1  0.608363  0.622903  0.415013  1
  Ti  Ti38  1  0.941501  0.289674  0.414878  1
  Ti  Ti39  1  0.845290  0.600113  0.459470  1
  Ti  Ti40  1  0.226811  0.611615  0.437362  1
  Ti  Ti41  1  0.560198  0.278205  0.437314  1
  Ti  Ti42  1  0.893549  0.944913  0.437182  1
  Ti  Ti43  1  0.274986  0.956223  0.414836  1
  Ti  Ti44  1  0.178649  0.266779  0.459550  1
  Ti  Ti45  1  0.512036  0.933457  0.459391  1
  Ti  Ti46  1  0.321299  0.427625  0.470755  1
  Ti  Ti47  1  0.798841  0.128866  0.403737  1
  Ti  Ti48  1  0.702820  0.439138  0.448517  1
  Ti  Ti49  1  0.084138  0.450555  0.426220  1
  Ti  Ti50  1  0.417398  0.117323  0.425981  1
  Ti  Ti51  1  0.750750  0.783902  0.425888  1
  Ti  Ti52  1  0.132184  0.795412  0.403714  1
  Ti  Ti53  1  0.036007  0.105949  0.448255  1
  Ti  Ti54  1  0.369417  0.772558  0.448237  1
  Ti  Ti55  1  0.463921  0.588577  0.481847  1
  Ti  Ti56  1  0.797331  0.255210  0.481833  1
  Ti  Ti57  1  0.701358  0.565584  0.526499  1
  Ti  Ti58  1  0.082537  0.577139  0.504134  1
  Ti  Ti59  1  0.415884  0.243809  0.504139  1
  Ti  Ti60  1  0.749253  0.910500  0.503958  1
  Ti  Ti61  1  0.130657  0.921868  0.481700  1
  Ti  Ti62  1  0.034633  0.232300  0.526540  1
  Ti  Ti63  1  0.368020  0.898918  0.526372  1
  Ti  Ti64  1  0.177293  0.393090  0.537736  1
  Ti  Ti65  1  0.654610  0.094366  0.470568  1
  Ti  Ti66  1  0.558518  0.404762  0.515249  1
  Ti  Ti67  1  0.939928  0.416113  0.492979  1
  Ti  Ti68  1  0.273365  0.082782  0.493011  1
  Ti  Ti69  1  0.606733  0.749442  0.492982  1
  Ti  Ti70  1  0.987929  0.761030  0.470577  1
  Ti  Ti71  1  0.891990  0.071433  0.515246  1
  Ti  Ti72  1  0.225275  0.738091  0.515264  1
  Ti  Ti73  1  0.319872  0.554041  0.548847  1
  Ti  Ti74  1  0.653202  0.220722  0.548777  1
  Ti  Ti75  1  0.556983  0.531230  0.593264  1
  Ti  Ti76  1  0.938542  0.542572  0.571123  1
  Ti  Ti77  1  0.271853  0.209323  0.571187  1
  Ti  Ti78  1  0.605223  0.875947  0.570982  1
  Ti  Ti79  1  0.986609  0.887379  0.548697  1
  Ti  Ti80  1  0.890538  0.197809  0.593413  1
  Ti  Ti81  1  0.223790  0.864456  0.593221  1
  Ti  Ti82  1  0.032800  0.358799  0.604508  1
  Ti  Ti83  1  0.510590  0.059835  0.537560  1
  Ti  Ti84  1  0.414394  0.370288  0.582389  1
  Ti  Ti85  1  0.795904  0.381586  0.560051  1
  Ti  Ti86  1  0.129165  0.048364  0.559767  1
  Ti  Ti87  1  0.462386  0.715075  0.559760  1
  Ti  Ti88  1  0.843928  0.726494  0.537555  1
  Ti  Ti89  1  0.747682  0.036954  0.582048  1
  Ti  Ti90  1  0.080960  0.703716  0.582143  1
  Ti  Ti91  1  0.175146  0.519865  0.615186  1
  Ti  Ti92  1  0.508545  0.186554  0.615247  1
  Ti  Ti93  1  0.412580  0.497593  0.661013  1
  Ti  Ti94  1  0.794435  0.507852  0.638082  1
  Ti  Ti95  1  0.127735  0.174452  0.638235  1
  Ti  Ti96  1  0.461097  0.841082  0.638011  1
  Ti  Ti97  1  0.841869  0.853242  0.615042  1
  Ti  Ti98  1  0.746057  0.163595  0.660679  1
  Ti  Ti99  1  0.079289  0.830869  0.660895  1
  Ti  Ti100  1  0.889721  0.324413  0.672022  1
  Ti  Ti101  1  0.366280  0.025457  0.604297  1
  Ti  Ti102  1  0.270185  0.336495  0.649782  1
  Ti  Ti103  1  0.651205  0.347357  0.626178  1
  Ti  Ti104  1  0.985365  0.013387  0.626642  1
  Ti  Ti105  1  0.318502  0.680223  0.626696  1
  Ti  Ti106  1  0.699578  0.692241  0.604311  1
  Ti  Ti107  1  0.603594  1.003046  0.649483  1
  Ti  Ti108  1  0.936846  0.670019  0.649576  1
  Ti  Ti109  1  0.032426  0.485036  0.682955  1
  Ti  Ti110  1  0.365840  0.151549  0.682934  1
  Ti  Ti111  1  0.267731  0.465438  0.725045  1
  Ti  Ti112  1  0.649072  0.474457  0.704642  1
  Ti  Ti113  1  0.984346  0.138581  0.704643  1
  Ti  Ti114  1  0.316631  0.806512  0.704657  1
  Ti  Ti115  1  0.698939  0.818252  0.682815  1
  Ti  Ti116  1  0.600899  0.130187  0.725086  1
  Ti  Ti117  1  0.934569  0.798557  0.724950  1
  Ti  Ti118  1  0.745592  0.293472  0.735835  1
  Ti  Ti119  1  0.223507  0.990861  0.670991  1
  Ti  Ti120  1  0.126253  0.300782  0.715065  1
  Ti  Ti121  1  0.508536  0.312614  0.694188  1
  Ti  Ti122  1  0.840732  0.979016  0.693395  1
  Ti  Ti123  1  0.173923  0.646188  0.693476  1
  Ti  Ti124  1  0.556414  0.658085  0.670984  1
  Ti  Ti125  1  0.458742  0.967173  0.714936  1
  Ti  Ti126  1  0.792046  0.634173  0.714934  1
  Al  Al127  1  0.705663  0.685270  0.292311  1
  Al  Al128  1  0.038338  0.352552  0.292305  1
  Al  Al129  1  0.085345  0.697611  0.272851  1
  Al  Al130  1  0.323096  0.675573  0.314868  1
  Al  Al131  1  0.655974  0.343404  0.314803  1
  Al  Al132  1  0.989382  0.009139  0.314767  1
  Al  Al133  1  0.372308  0.018563  0.292139  1
  Al  Al134  1  0.419183  0.365240  0.272980  1
  Al  Al135  1  0.752609  0.031375  0.272791  1
  Al  Al136  1  0.756639  0.779338  0.273430  1
  Al  Al137  1  0.088415  0.446713  0.273733  1
  Al  Al138  1  0.989878  0.758722  0.314440  1
  Al  Al139  1  0.371825  0.767271  0.292470  1
  Al  Al140  1  0.705712  0.436810  0.293827  1
  Al  Al141  1  0.037569  0.101292  0.292398  1
  Al  Al142  1  0.422330  0.113366  0.273409  1
  Al  Al143  1  0.323891  0.425697  0.314845  1
  Al  Al144  1  0.657061  0.092545  0.314569  1
  Al  Al145  1  0.800240  0.751701  0.326538  1
  Al  Al146  1  0.133676  0.418632  0.326785  1
  Al  Al147  1  0.180908  0.763564  0.302949  1
  Al  Al148  1  0.563900  0.774232  0.282627  1
  Al  Al149  1  0.896778  0.442431  0.283925  1
  Al  Al150  1  0.230353  0.108244  0.282603  1
  Al  Al151  1  0.466662  0.085536  0.326533  1
  Al  Al152  1  0.515227  0.430539  0.303309  1
  Al  Al153  1  0.847360  0.097272  0.303028  1
  Al  Al154  1  0.799671  0.502870  0.325608  1
  Al  Al155  1  0.134394  0.168455  0.326881  1
  Al  Al156  1  0.182408  0.514024  0.303371  1
  Al  Al157  1  0.561566  0.526427  0.283483  1
  Al  Al158  1  0.895454  0.193728  0.281824  1
  Al  Al159  1  0.229122  0.859908  0.281844  1
  Al  Al160  1  0.468043  0.834748  0.326848  1
  Al  Al161  1  0.515100  0.181182  0.303222  1
  Al  Al162  1  0.848491  0.847590  0.303182  1
  Al  Al163  1  0.848810  0.596079  0.303202  1
  Al  Al164  1  0.181685  0.263867  0.302792  1
  Al  Al165  1  0.230225  0.609055  0.283459  1
  Al  Al166  1  0.467132  0.585385  0.326884  1
  Al  Al167  1  0.800567  0.252794  0.326510  1
  Al  Al168  1  0.134082  0.918818  0.326554  1
  Al  Al169  1  0.515364  0.930166  0.302715  1
  Al  Al170  1  0.563396  0.276354  0.283400  1
  Al  Al171  1  0.896721  0.942578  0.283329  1
  Al  Al172  1  0.657843  0.590294  0.314024  1
  Al  Al173  1  0.989163  0.258630  0.314129  1
  Al  Al174  1  0.039387  0.602364  0.292831  1
  Al  Al175  1  0.418932  0.614315  0.273753  1
  Al  Al176  1  0.752232  0.282080  0.273721  1
  Al  Al177  1  0.085846  0.948055  0.273635  1
  Al  Al178  1  0.323306  0.924574  0.314186  1
  Al  Al179  1  0.372003  0.269793  0.292607  1
  Al  Al180  1  0.705341  0.936143  0.292557  1
  Al  Al181  1  0.562032  0.651401  0.359279  1
  Al  Al182  1  0.894881  0.318824  0.359216  1
  Al  Al183  1  0.943126  0.662474  0.337379  1
  Al  Al184  1  0.180185  0.640447  0.381672  1
  Al  Al185  1  0.513535  0.306999  0.381653  1
  Al  Al186  1  0.846887  0.973733  0.381512  1
  Al  Al187  1  0.228418  0.985334  0.359247  1
  Al  Al188  1  0.276355  0.329614  0.337390  1
  Al  Al189  1  0.609639  0.996361  0.337268  1
  Al  Al190  1  0.610552  0.746193  0.337210  1
  Al  Al191  1  0.943799  0.413294  0.337459  1
  Al  Al192  1  0.846361  0.723352  0.381318  1
  Al  Al193  1  0.227696  0.735278  0.359088  1
  Al  Al194  1  0.560712  0.401915  0.359345  1
  Al  Al195  1  0.894263  0.068796  0.359034  1
  Al  Al196  1  0.277098  0.079964  0.337209  1
  Al  Al197  1  0.179768  0.390161  0.381616  1
  Al  Al198  1  0.513187  0.056968  0.381389  1
  Al  Al199  1  0.657369  0.717146  0.392296  1
  Al  Al200  1  0.990090  0.384312  0.392479  1
  Al  Al201  1  0.037055  0.729383  0.370276  1
  Al  Al202  1  0.420167  0.740441  0.348002  1
  Al  Al203  1  0.752808  0.407634  0.348275  1
  Al  Al204  1  0.086192  0.074213  0.348064  1
  Al  Al205  1  0.323897  0.050712  0.392393  1
  Al  Al206  1  0.370421  0.396068  0.370460  1
  Al  Al207  1  0.703844  0.062888  0.370252  1
  Al  Al208  1  0.656161  0.467780  0.392774  1
  Al  Al209  1  0.989368  0.134561  0.392307  1
  Al  Al210  1  0.037578  0.479769  0.370608  1
  Al  Al211  1  0.419120  0.490666  0.348212  1
  Al  Al212  1  0.752735  0.157629  0.347994  1
  Al  Al213  1  0.086165  0.823828  0.347939  1
  Al  Al214  1  0.322872  0.801003  0.392280  1
  Al  Al215  1  0.370780  0.146571  0.370204  1
  Al  Al216  1  0.704172  0.813062  0.370117  1
  Al  Al217  1  0.703515  0.562551  0.370279  1
  Al  Al218  1  0.036881  0.229112  0.370172  1
  Al  Al219  1  0.085896  0.574244  0.348271  1
  Al  Al220  1  0.322814  0.551456  0.392792  1
  Al  Al221  1  0.656324  0.218185  0.392661  1
  Al  Al222  1  0.989669  0.884720  0.392565  1
  Al  Al223  1  0.370374  0.895619  0.370107  1
  Al  Al224  1  0.418647  0.240883  0.348007  1
  Al  Al225  1  0.751965  0.907381  0.347896  1
  Al  Al226  1  0.513636  0.556765  0.381614  1
  Al  Al227  1  0.847401  0.223415  0.381192  1
  Al  Al228  1  0.895284  0.568246  0.359240  1
  Al  Al229  1  0.276800  0.579980  0.337222  1
  Al  Al230  1  0.610173  0.246962  0.337128  1
  Al  Al231  1  0.943413  0.913373  0.337085  1
  Al  Al232  1  0.180896  0.889878  0.381136  1
  Al  Al233  1  0.228497  0.234858  0.359155  1
  Al  Al234  1  0.561973  0.901396  0.359017  1
  Al  Al235  1  0.417484  0.617317  0.426120  1
  Al  Al236  1  0.750869  0.283968  0.426037  1
  Al  Al237  1  0.798778  0.628583  0.403509  1
  Al  Al238  1  0.036095  0.605829  0.448490  1
  Al  Al239  1  0.369459  0.272489  0.448481  1
  Al  Al240  1  0.702811  0.939229  0.448320  1
  Al  Al241  1  0.084247  0.950533  0.425931  1
  Al  Al242  1  0.132063  0.295289  0.403607  1
  Al  Al243  1  0.465536  0.961877  0.403457  1
  Al  Al244  1  0.465777  0.712047  0.403924  1
  Al  Al245  1  0.798954  0.379064  0.403942  1
  Al  Al246  1  0.702667  0.689248  0.448374  1
  Al  Al247  1  0.084012  0.700799  0.426155  1
  Al  Al248  1  0.417294  0.367388  0.426238  1
  Al  Al249  1  0.750667  0.034149  0.426066  1
  Al  Al250  1  0.132237  0.045452  0.403903  1
  Al  Al251  1  0.035866  0.355847  0.448423  1
  Al  Al252  1  0.369261  0.022568  0.448339  1
  Al  Al253  1  0.512183  0.683266  0.459504  1
  Al  Al254  1  0.845577  0.349881  0.459502  1
  Al  Al255  1  0.893376  0.694822  0.437125  1
  Al  Al256  1  0.274832  0.706363  0.414936  1
  Al  Al257  1  0.608280  0.372998  0.415025  1
  Al  Al258  1  0.941546  0.039725  0.414834  1
  Al  Al259  1  0.178878  0.016606  0.459419  1
  Al  Al260  1  0.226853  0.361412  0.437237  1
  Al  Al261  1  0.560127  0.028159  0.437051  1
  Al  Al262  1  0.512001  0.433445  0.459599  1
  Al  Al263  1  0.845382  0.100166  0.459499  1
  Al  Al264  1  0.893423  0.444850  0.437186  1
  Al  Al265  1  0.274655  0.456375  0.414968  1
  Al  Al266  1  0.608020  0.123146  0.414768  1
  Al  Al267  1  0.941353  0.789668  0.414726  1
  Al  Al268  1  0.178717  0.766812  0.459504  1
  Al  Al269  1  0.227009  0.111414  0.437408  1
  Al  Al270  1  0.560446  0.777978  0.437355  1
  Al  Al271  1  0.559984  0.528284  0.437371  1
  Al  Al272  1  0.893221  0.195061  0.437209  1
  Al  Al273  1  0.941350  0.539724  0.415086  1
  Al  Al274  1  0.178591  0.516819  0.459673  1
  Al  Al275  1  0.511810  0.183500  0.459565  1
  Al  Al276  1  0.845176  0.850150  0.459436  1
  Al  Al277  1  0.226618  0.861627  0.437131  1
  Al  Al278  1  0.274806  0.206543  0.415120  1
  Al  Al279  1  0.608278  0.873194  0.414988  1
  Al  Al280  1  0.369417  0.522363  0.448419  1
  Al  Al281  1  0.702891  0.189044  0.448303  1
  Al  Al282  1  0.750972  0.533774  0.426054  1
  Al  Al283  1  0.132561  0.545301  0.403919  1
  Al  Al284  1  0.465960  0.211989  0.403735  1
  Al  Al285  1  0.799308  0.878628  0.403619  1
  Al  Al286  1  0.036158  0.855672  0.448222  1
  Al  Al287  1  0.084101  0.200650  0.426063  1
  Al  Al288  1  0.417562  0.867208  0.425978  1
  Al  Al289  1  0.273287  0.582841  0.493086  1
  Al  Al290  1  0.606651  0.249480  0.493039  1
  Al  Al291  1  0.654727  0.594293  0.470748  1
  Al  Al292  1  0.891945  0.571352  0.515305  1
  Al  Al293  1  0.225267  0.238061  0.515365  1
  Al  Al294  1  0.558658  0.904684  0.515182  1
  Al  Al295  1  0.940029  0.916134  0.492918  1
  Al  Al296  1  0.987999  0.261012  0.470722  1
  Al  Al297  1  0.321395  0.927642  0.470614  1
  Al  Al298  1  0.321285  0.677869  0.470745  1
  Al  Al299  1  0.654636  0.344406  0.470787  1
  Al  Al300  1  0.558470  0.654734  0.515303  1
  Al  Al301  1  0.939768  0.666314  0.492995  1
  Al  Al302  1  0.273084  0.332949  0.493119  1
  Al  Al303  1  0.606433  0.999676  0.492933  1
  Al  Al304  1  0.987963  0.011174  0.470652  1
  Al  Al305  1  0.891727  0.321416  0.515402  1
  Al  Al306  1  0.225100  0.988043  0.515238  1
  Al  Al307  1  0.367910  0.648803  0.526380  1
  Al  Al308  1  0.701362  0.315490  0.526415  1
  Al  Al309  1  0.749501  0.660267  0.504067  1
  Al  Al310  1  0.130749  0.671898  0.481816  1
  Al  Al311  1  0.464139  0.338482  0.481835  1
  Al  Al312  1  0.797553  0.005244  0.481701  1
  Al  Al313  1  0.034704  0.982130  0.526280  1
  Al  Al314  1  0.082764  0.326969  0.504151  1
  Al  Al315  1  0.416196  0.993613  0.504011  1
  Al  Al316  1  0.367933  0.398892  0.526536  1
  Al  Al317  1  0.701233  0.065648  0.526320  1
  Al  Al318  1  0.749370  0.410375  0.504254  1
  Al  Al319  1  0.130670  0.421835  0.481955  1
  Al  Al320  1  0.463966  0.088577  0.481775  1
  Al  Al321  1  0.797301  0.755257  0.481742  1
  Al  Al322  1  0.034551  0.732295  0.526353  1
  Al  Al323  1  0.082606  0.077155  0.504038  1
  Al  Al324  1  0.415927  0.743817  0.504027  1
  Al  Al325  1  0.415676  0.493894  0.504240  1
  Al  Al326  1  0.749084  0.160531  0.504163  1
  Al  Al327  1  0.797286  0.505385  0.481933  1
  Al  Al328  1  0.034392  0.482324  0.526504  1
  Al  Al329  1  0.367687  0.149086  0.526495  1
  Al  Al330  1  0.701146  0.815752  0.526370  1
  Al  Al331  1  0.082440  0.827201  0.504102  1
  Al  Al332  1  0.130518  0.172049  0.481919  1
  Al  Al333  1  0.463961  0.838696  0.481802  1
  Al  Al334  1  0.225331  0.487862  0.515310  1
  Al  Al335  1  0.558708  0.154565  0.515189  1
  Al  Al336  1  0.606809  0.499452  0.492995  1
  Al  Al337  1  0.988063  0.510882  0.470694  1
  Al  Al338  1  0.321512  0.177529  0.470662  1
  Al  Al339  1  0.654873  0.844174  0.470532  1
  Al  Al340  1  0.892021  0.821251  0.515128  1
  Al  Al341  1  0.940240  0.166118  0.492916  1
  Al  Al342  1  0.273526  0.832744  0.492833  1
  Al  Al343  1  0.128910  0.548493  0.559729  1
  Al  Al344  1  0.462250  0.215162  0.559748  1
  Al  Al345  1  0.510523  0.559835  0.537555  1
  Al  Al346  1  0.747903  0.536910  0.582282  1
  Al  Al347  1  0.081218  0.203611  0.582409  1
  Al  Al348  1  0.414609  0.870145  0.582181  1
  Al  Al349  1  0.795612  0.881889  0.559575  1
  Al  Al350  1  0.843934  0.226467  0.537601  1
  Al  Al351  1  0.177260  0.893134  0.537454  1
  Al  Al352  1  0.177064  0.643362  0.537620  1
  Al  Al353  1  0.510305  0.310053  0.537664  1
  Al  Al354  1  0.414341  0.620333  0.582166  1
  Al  Al355  1  0.795894  0.631802  0.559955  1
  Al  Al356  1  0.129120  0.298461  0.560082  1
  Al  Al357  1  0.462502  0.965108  0.559874  1
  Al  Al358  1  0.843786  0.976671  0.537494  1
  Al  Al359  1  0.747901  0.286797  0.582187  1
  Al  Al360  1  0.081156  0.953557  0.582082  1
  Al  Al361  1  0.223601  0.614510  0.593157  1
  Al  Al362  1  0.556866  0.281031  0.593145  1
  Al  Al363  1  0.605253  0.625891  0.570926  1
  Al  Al364  1  0.986602  0.637365  0.548715  1
  Al  Al365  1  0.320073  0.304023  0.548829  1
  Al  Al366  1  0.653311  0.970686  0.548583  1
  Al  Al367  1  0.890428  0.947807  0.593033  1
  Al  Al368  1  0.938715  0.292445  0.571123  1
  Al  Al369  1  0.272010  0.959128  0.570862  1
  Al  Al370  1  0.223764  0.364642  0.593691  1
  Al  Al371  1  0.557129  0.031261  0.593446  1
  Al  Al372  1  0.604794  0.376195  0.570842  1
  Al  Al373  1  0.986467  0.387351  0.548735  1
  Al  Al374  1  0.319850  0.054072  0.548649  1
  Al  Al375  1  0.653164  0.720746  0.548633  1
  Al  Al376  1  0.890445  0.698081  0.593502  1
  Al  Al377  1  0.938481  0.042667  0.570985  1
  Al  Al378  1  0.271677  0.709430  0.571032  1
  Al  Al379  1  0.271849  0.459306  0.571131  1
  Al  Al380  1  0.605053  0.126053  0.571017  1
  Al  Al381  1  0.653171  0.470872  0.548793  1
  Al  Al382  1  0.890170  0.447876  0.593481  1
  Al  Al383  1  0.223363  0.114608  0.593419  1
  Al  Al384  1  0.556720  0.781287  0.593283  1
  Al  Al385  1  0.938447  0.792720  0.570949  1
  Al  Al386  1  0.986441  0.137606  0.548806  1
  Al  Al387  1  0.319774  0.804273  0.548702  1
  Al  Al388  1  0.081049  0.453312  0.582104  1
  Al  Al389  1  0.414452  0.120063  0.582033  1
  Al  Al390  1  0.462593  0.464913  0.559891  1
  Al  Al391  1  0.844101  0.476334  0.537605  1
  Al  Al392  1  0.177432  0.143151  0.537580  1
  Al  Al393  1  0.510752  0.809778  0.537465  1
  Al  Al394  1  0.747748  0.786745  0.581939  1
  Al  Al395  1  0.796075  0.131655  0.559847  1
  Al  Al396  1  0.129320  0.798294  0.559806  1
  Al  Al397  1  0.985223  0.513356  0.626924  1
  Al  Al398  1  0.318556  0.180159  0.626970  1
  Al  Al399  1  0.366415  0.525551  0.604777  1
  Al  Al400  1  0.603088  0.502635  0.648973  1
  Al  Al401  1  0.936915  0.168632  0.649049  1
  Al  Al402  1  0.269878  0.835844  0.649001  1
  Al  Al403  1  0.651867  0.846774  0.626778  1
  Al  Al404  1  0.699816  0.192186  0.604678  1
  Al  Al405  1  0.033213  0.858809  0.604640  1
  Al  Al406  1  0.032096  0.609229  0.604647  1
  Al  Al407  1  0.365448  0.275862  0.604830  1
  Al  Al408  1  0.269576  0.585942  0.648995  1
  Al  Al409  1  0.652006  0.597245  0.626713  1
  Al  Al410  1  0.984974  0.263906  0.627206  1
  Al  Al411  1  0.318837  0.930373  0.626667  1
  Al  Al412  1  0.698822  0.942505  0.604514  1
  Al  Al413  1  0.603090  0.252631  0.649093  1
  Al  Al414  1  0.936380  0.919128  0.648881  1
  Al  Al415  1  0.078851  0.580126  0.659872  1
  Al  Al416  1  0.412814  0.246795  0.660144  1
  Al  Al417  1  0.461615  0.591373  0.637945  1
  Al  Al418  1  0.842773  0.603077  0.615635  1
  Al  Al419  1  0.175962  0.269668  0.615783  1
  Al  Al420  1  0.509448  0.936258  0.615533  1
  Al  Al421  1  0.745505  0.913254  0.659769  1
  Al  Al422  1  0.795008  0.258119  0.638082  1
  Al  Al423  1  0.128434  0.924527  0.637888  1
  Al  Al424  1  0.079380  0.330149  0.659956  1
  Al  Al425  1  0.413089  0.996635  0.659694  1
  Al  Al426  1  0.461082  0.341235  0.638170  1
  Al  Al427  1  0.842564  0.352859  0.615963  1
  Al  Al428  1  0.175912  0.019427  0.615433  1
  Al  Al429  1  0.509023  0.686337  0.615439  1
  Al  Al430  1  0.746287  0.663787  0.659752  1
  Al  Al431  1  0.794317  0.007797  0.637667  1
  Al  Al432  1  0.127534  0.674683  0.637758  1
  Al  Al433  1  0.127388  0.425048  0.638086  1
  Al  Al434  1  0.460717  0.091677  0.637926  1
  Al  Al435  1  0.508023  0.436927  0.615900  1
  Al  Al436  1  0.745851  0.413373  0.660172  1
  Al  Al437  1  0.079823  0.079485  0.659853  1
  Al  Al438  1  0.412421  0.746636  0.659911  1
  Al  Al439  1  0.794136  0.758515  0.637902  1
  Al  Al440  1  0.841983  0.103099  0.615694  1
  Al  Al441  1  0.175087  0.770019  0.615799  1
  Al  Al442  1  0.937146  0.418979  0.649371  1
  Al  Al443  1  0.270850  0.085700  0.649105  1
  Al  Al444  1  0.318881  0.430834  0.627056  1
  Al  Al445  1  0.699686  0.442125  0.604407  1
  Al  Al446  1  0.033211  0.108477  0.604402  1
  Al  Al447  1  0.366278  0.775197  0.604354  1
  Al  Al448  1  0.604018  0.752558  0.649024  1
  Al  Al449  1  0.652134  0.097331  0.626736  1
  Al  Al450  1  0.985613  0.764285  0.626835  1
  Al  Al451  1  0.840623  0.480229  0.693841  1
  Al  Al452  1  0.174620  0.145303  0.693922  1
  Al  Al453  1  0.221515  0.491737  0.670292  1
  Al  Al454  1  0.459742  0.467116  0.715312  1
  Al  Al455  1  0.793550  0.132922  0.715244  1
  Al  Al456  1  0.126945  0.799660  0.715156  1
  Al  Al457  1  0.507468  0.812255  0.693784  1
  Al  Al458  1  0.555033  0.157867  0.670297  1
  Al  Al459  1  0.888109  0.825073  0.670195  1
  Al  Al460  1  0.889457  0.574629  0.670520  1
  Al  Al461  1  0.222823  0.241026  0.670653  1
  Al  Al462  1  0.125513  0.552005  0.714562  1
  Al  Al463  1  0.507578  0.563458  0.693966  1
  Al  Al464  1  0.842804  0.228417  0.694007  1
  Al  Al465  1  0.175049  0.896042  0.694002  1
  Al  Al466  1  0.555982  0.907695  0.670486  1
  Al  Al467  1  0.459809  0.217918  0.714765  1
  Al  Al468  1  0.792075  0.884996  0.714520  1
  Al  Al469  1  0.934115  0.546957  0.723792  1
  Al  Al470  1  0.267490  0.213115  0.723806  1
  Al  Al471  1  0.317958  0.558914  0.704716  1
  Al  Al472  1  0.698666  0.568087  0.682210  1
  Al  Al473  1  0.032403  0.233870  0.682872  1
  Al  Al474  1  0.365633  0.900678  0.682363  1
  Al  Al475  1  0.600373  0.879772  0.723687  1
  Al  Al476  1  0.651835  0.224397  0.705096  1
  Al  Al477  1  0.985035  0.891944  0.704681  1
  Al  Al478  1  0.936943  0.294193  0.725658  1
  Al  Al479  1  0.270200  0.961395  0.724241  1
  Al  Al480  1  0.317731  0.307835  0.705029  1
  Al  Al481  1  0.698296  0.318820  0.681053  1
  Al  Al482  1  0.033239  0.983992  0.682166  1
  Al  Al483  1  0.366271  0.651083  0.682218  1
  Al  Al484  1  0.603298  0.628515  0.724199  1
  Al  Al485  1  0.650172  0.974637  0.704860  1
  Al  Al486  1  0.983506  0.641632  0.704918  1
  Al  Al487  1  0.985049  0.390437  0.704849  1
  Al  Al488  1  0.317350  0.056792  0.704505  1
  Al  Al489  1  0.366453  0.401797  0.683002  1
  Al  Al490  1  0.603397  0.379192  0.724559  1
  Al  Al491  1  0.936824  0.044373  0.723526  1
  Al  Al492  1  0.270226  0.711788  0.723487  1
  Al  Al493  1  0.650554  0.723768  0.704533  1
  Al  Al494  1  0.699548  0.068195  0.682674  1
  Al  Al495  1  0.032575  0.735351  0.682748  1
  Al  Al496  1  0.794349  0.386508  0.715097  1
  Al  Al497  1  0.126542  0.049816  0.713827  1
  Al  Al498  1  0.174321  0.396288  0.694394  1
  Al  Al499  1  0.555476  0.407767  0.670737  1
  Al  Al500  1  0.888783  0.073903  0.670453  1
  Al  Al501  1  0.221980  0.741070  0.670467  1
  Al  Al502  1  0.459255  0.717338  0.713757  1
  Al  Al503  1  0.506822  0.062395  0.694061  1
  Al  Al504  1  0.840565  0.729622  0.694281  1
