# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.53926227
_cell_length_b   23.88936444
_cell_length_c   48.66355748
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.99921227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti144 Al288'
_cell_volume   14557.4239363
_cell_formula_units_Z   144
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  0.627593  0.742089  0.293225  1
  Ti  Ti2  1  0.930508  0.735328  0.318484  1
  Ti  Ti3  1  0.333442  0.752471  0.270357  1
  Ti  Ti4  1  0.807266  0.496191  0.286513  1
  Ti  Ti5  1  0.105990  0.486758  0.311245  1
  Ti  Ti6  1  0.405839  0.477853  0.337534  1
  Ti  Ti7  1  0.650181  0.580377  0.280793  1
  Ti  Ti8  1  0.947411  0.571261  0.304722  1
  Ti  Ti9  1  0.248755  0.562817  0.331065  1
  Ti  Ti10  1  0.573571  0.811687  0.337890  1
  Ti  Ti11  1  0.970731  0.827669  0.287671  1
  Ti  Ti12  1  0.273126  0.819639  0.311817  1
  Ti  Ti13  1  0.779090  0.238707  0.305075  1
  Ti  Ti14  1  0.080718  0.230402  0.331524  1
  Ti  Ti15  1  0.479667  0.248016  0.282044  1
  Ti  Ti16  1  0.662974  1.001086  0.275567  1
  Ti  Ti17  1  0.956168  0.990683  0.298547  1
  Ti  Ti18  1  0.257336  0.982778  0.324480  1
  Ti  Ti19  1  0.797581  0.076024  0.292477  1
  Ti  Ti20  1  0.098561  0.067739  0.318448  1
  Ti  Ti21  1  0.397692  0.058889  0.343614  1
  Ti  Ti22  1  0.822322  0.332565  0.275537  1
  Ti  Ti23  1  0.119634  0.323864  0.299401  1
  Ti  Ti24  1  0.422148  0.315326  0.325246  1
  Ti  Ti25  1  0.533092  0.717788  0.370415  1
  Ti  Ti26  1  0.832663  0.709400  0.395383  1
  Ti  Ti27  1  0.231258  0.725858  0.343695  1
  Ti  Ti28  1  0.706529  0.470602  0.363573  1
  Ti  Ti29  1  0.007449  0.461802  0.389304  1
  Ti  Ti30  1  0.307569  0.453446  0.414794  1
  Ti  Ti31  1  0.547870  0.554624  0.356573  1
  Ti  Ti32  1  0.849731  0.546739  0.382882  1
  Ti  Ti33  1  0.149359  0.538379  0.408241  1
  Ti  Ti34  1  0.474795  0.786540  0.414767  1
  Ti  Ti35  1  0.873103  0.803253  0.363070  1
  Ti  Ti36  1  0.174741  0.794710  0.389172  1
  Ti  Ti37  1  0.682652  0.213531  0.382945  1
  Ti  Ti38  1  0.982766  0.205454  0.408355  1
  Ti  Ti39  1  0.381271  0.221774  0.356474  1
  Ti  Ti40  1  0.556917  0.974623  0.349690  1
  Ti  Ti41  1  0.858355  0.966050  0.376792  1
  Ti  Ti42  1  0.157937  0.957491  0.401849  1
  Ti  Ti43  1  0.698737  0.051269  0.369780  1
  Ti  Ti44  1  0.999690  0.042407  0.395504  1
  Ti  Ti45  1  0.299837  0.034192  0.421119  1
  Ti  Ti46  1  0.722624  0.307301  0.350503  1
  Ti  Ti47  1  0.024066  0.298946  0.376609  1
  Ti  Ti48  1  0.323968  0.290487  0.401944  1
  Ti  Ti49  1  0.433610  0.692826  0.446793  1
  Ti  Ti50  1  0.734348  0.684517  0.472714  1
  Ti  Ti51  1  0.133370  0.701191  0.421138  1
  Ti  Ti52  1  0.608212  0.445048  0.440574  1
  Ti  Ti53  1  0.908832  0.436759  0.466366  1
  Ti  Ti54  1  0.209295  0.428394  0.492017  1
  Ti  Ti55  1  0.449875  0.529946  0.434099  1
  Ti  Ti56  1  0.750478  0.521729  0.459821  1
  Ti  Ti57  1  0.051103  0.513375  0.485595  1
  Ti  Ti58  1  0.376228  0.761323  0.491961  1
  Ti  Ti59  1  0.775395  0.778010  0.440548  1
  Ti  Ti60  1  0.075627  0.769694  0.466187  1
  Ti  Ti61  1  0.583595  0.188792  0.459716  1
  Ti  Ti62  1  0.884494  0.180364  0.485572  1
  Ti  Ti63  1  0.283392  0.196943  0.434023  1
  Ti  Ti64  1  0.458229  0.949255  0.427633  1
  Ti  Ti65  1  0.758748  0.940956  0.453250  1
  Ti  Ti66  1  0.059469  0.932497  0.479202  1
  Ti  Ti67  1  0.600178  0.025822  0.446817  1
  Ti  Ti68  1  0.900855  0.017607  0.472650  1
  Ti  Ti69  1  0.201289  0.009182  0.498334  1
  Ti  Ti70  1  0.624735  0.282201  0.427778  1
  Ti  Ti71  1  0.925193  0.273898  0.453499  1
  Ti  Ti72  1  0.225701  0.265535  0.479180  1
  Ti  Ti73  1  0.335209  0.667878  0.524068  1
  Ti  Ti74  1  0.635594  0.659574  0.549736  1
  Ti  Ti75  1  0.034692  0.676215  0.498325  1
  Ti  Ti76  1  0.509602  0.420035  0.517619  1
  Ti  Ti77  1  0.810454  0.411746  0.543597  1
  Ti  Ti78  1  0.110683  0.403417  0.569239  1
  Ti  Ti79  1  0.351341  0.505085  0.511139  1
  Ti  Ti80  1  0.652042  0.496649  0.537024  1
  Ti  Ti81  1  0.952675  0.488319  0.562715  1
  Ti  Ti82  1  0.277625  0.736428  0.569081  1
  Ti  Ti83  1  0.676543  0.753076  0.517569  1
  Ti  Ti84  1  0.977355  0.744671  0.543410  1
  Ti  Ti85  1  0.485163  0.163720  0.536877  1
  Ti  Ti86  1  0.785766  0.155514  0.562593  1
  Ti  Ti87  1  0.184628  0.172113  0.511169  1
  Ti  Ti88  1  0.359658  0.924208  0.504718  1
  Ti  Ti89  1  0.660188  0.915825  0.530424  1
  Ti  Ti90  1  0.960906  0.907656  0.556258  1
  Ti  Ti91  1  0.501577  1.000903  0.523864  1
  Ti  Ti92  1  0.802378  0.992520  0.549809  1
  Ti  Ti93  1  0.102826  0.984167  0.575503  1
  Ti  Ti94  1  0.526004  0.257235  0.504825  1
  Ti  Ti95  1  0.826872  0.248838  0.530636  1
  Ti  Ti96  1  0.126954  0.240762  0.556439  1
  Ti  Ti97  1  0.236739  0.642885  0.601194  1
  Ti  Ti98  1  0.537711  0.634356  0.626980  1
  Ti  Ti99  1  0.936093  0.651163  0.575420  1
  Ti  Ti100  1  0.410945  0.395139  0.594884  1
  Ti  Ti101  1  0.710646  0.386557  0.620145  1
  Ti  Ti102  1  0.012256  0.379079  0.647343  1
  Ti  Ti103  1  0.252974  0.479968  0.588481  1
  Ti  Ti104  1  0.552897  0.471635  0.613704  1
  Ti  Ti105  1  0.853871  0.463660  0.640534  1
  Ti  Ti106  1  0.180027  0.711929  0.646570  1
  Ti  Ti107  1  0.578216  0.728169  0.594926  1
  Ti  Ti108  1  0.878142  0.719909  0.620036  1
  Ti  Ti109  1  0.385878  0.138566  0.613743  1
  Ti  Ti110  1  0.687669  0.129960  0.639840  1
  Ti  Ti111  1  0.086431  0.146891  0.588465  1
  Ti  Ti112  1  0.261442  0.899210  0.582074  1
  Ti  Ti113  1  0.561406  0.891011  0.607472  1
  Ti  Ti114  1  0.862291  0.882428  0.633255  1
  Ti  Ti115  1  0.403063  0.975668  0.601144  1
  Ti  Ti116  1  0.702844  0.967508  0.626205  1
  Ti  Ti117  1  0.003947  0.959015  0.653401  1
  Ti  Ti118  1  0.427192  0.232211  0.581941  1
  Ti  Ti119  1  0.727927  0.224046  0.607585  1
  Ti  Ti120  1  0.029446  0.215434  0.633720  1
  Ti  Ti121  1  0.138019  0.618515  0.677854  1
  Ti  Ti122  1  0.440561  0.609263  0.703350  1
  Ti  Ti123  1  0.838256  0.625988  0.652465  1
  Ti  Ti124  1  0.311380  0.370252  0.672274  1
  Ti  Ti125  1  0.612986  0.361959  0.698188  1
  Ti  Ti126  1  0.906816  0.354358  0.721429  1
  Ti  Ti127  1  0.154185  0.454923  0.665908  1
  Ti  Ti128  1  0.455251  0.446959  0.692092  1
  Ti  Ti129  1  0.751783  0.435959  0.715605  1
  Ti  Ti130  1  0.079803  0.684730  0.720603  1
  Ti  Ti131  1  0.481369  0.702579  0.671377  1
  Ti  Ti132  1  0.782742  0.695135  0.697389  1
  Ti  Ti133  1  0.289917  0.113323  0.690930  1
  Ti  Ti134  1  0.587854  0.105908  0.715076  1
  Ti  Ti135  1  0.988322  0.122537  0.665350  1
  Ti  Ti136  1  0.163507  0.874331  0.659312  1
  Ti  Ti137  1  0.463180  0.866559  0.685885  1
  Ti  Ti138  1  0.763652  0.857969  0.710302  1
  Ti  Ti139  1  0.304316  0.950148  0.678755  1
  Ti  Ti140  1  0.604712  0.941433  0.704534  1
  Ti  Ti141  1  0.898191  0.933060  0.727198  1
  Ti  Ti142  1  0.329364  0.207220  0.658861  1
  Ti  Ti143  1  0.629276  0.197639  0.684430  1
  Ti  Ti144  1  0.931772  0.190218  0.709110  1
  Al  Al145  1  0.605850  0.486394  0.312066  1
  Al  Al146  1  0.907320  0.478205  0.337884  1
  Al  Al147  1  0.304840  0.493900  0.287745  1
  Al  Al148  1  0.590190  0.648858  0.325584  1
  Al  Al149  1  0.989449  0.666165  0.276287  1
  Al  Al150  1  0.287963  0.656325  0.299159  1
  Al  Al151  1  0.790631  0.658244  0.298173  1
  Al  Al152  1  0.089089  0.648342  0.325349  1
  Al  Al153  1  0.487834  0.664956  0.276054  1
  Al  Al154  1  0.749432  0.564357  0.331749  1
  Al  Al155  1  0.146375  0.580689  0.281636  1
  Al  Al156  1  0.447910  0.570122  0.304922  1
  Al  Al157  1  0.731541  0.725246  0.344131  1
  Al  Al158  1  0.130369  0.742766  0.292623  1
  Al  Al159  1  0.432228  0.733494  0.320048  1
  Al  Al160  1  0.766633  0.402000  0.319501  1
  Al  Al161  1  0.064249  0.392870  0.344197  1
  Al  Al162  1  0.462881  0.408439  0.293415  1
  Al  Al163  1  0.666761  0.418245  0.270559  1
  Al  Al164  1  0.965440  0.410682  0.292031  1
  Al  Al165  1  0.262866  0.401340  0.318398  1
  Al  Al166  1  0.770713  0.819468  0.311594  1
  Al  Al167  1  0.074165  0.812183  0.338154  1
  Al  Al168  1  0.474313  0.829556  0.287295  1
  Al  Al169  1  0.759444  0.982318  0.325828  1
  Al  Al170  1  0.154645  0.999624  0.275212  1
  Al  Al171  1  0.457234  0.991579  0.298571  1
  Al  Al172  1  0.740766  0.145213  0.337857  1
  Al  Al173  1  0.137223  0.161686  0.287847  1
  Al  Al174  1  0.437625  0.152621  0.311629  1
  Al  Al175  1  0.638733  0.161553  0.287512  1
  Al  Al176  1  0.938419  0.153264  0.312117  1
  Al  Al177  1  0.239425  0.144351  0.337750  1
  Al  Al178  1  0.597264  0.069659  0.318733  1
  Al  Al179  1  0.996260  0.085129  0.269633  1
  Al  Al180  1  0.295988  0.076124  0.293224  1
  Al  Al181  1  0.581905  0.229263  0.332031  1
  Al  Al182  1  0.978687  0.246605  0.281446  1
  Al  Al183  1  0.278577  0.237558  0.305419  1
  Al  Al184  1  0.614853  0.905229  0.305293  1
  Al  Al185  1  0.915833  0.897370  0.331842  1
  Al  Al186  1  0.313515  0.912806  0.281746  1
  Al  Al187  1  0.815314  0.914336  0.281755  1
  Al  Al188  1  0.115082  0.905280  0.304569  1
  Al  Al189  1  0.415137  0.897567  0.331348  1
  Al  Al190  1  0.621442  0.324779  0.299495  1
  Al  Al191  1  0.922399  0.316237  0.325914  1
  Al  Al192  1  0.319511  0.331510  0.276448  1
  Al  Al193  1  0.507059  0.461240  0.389077  1
  Al  Al194  1  0.807787  0.452972  0.414929  1
  Al  Al195  1  0.206249  0.469553  0.363198  1
  Al  Al196  1  0.490898  0.623807  0.401885  1
  Al  Al197  1  0.890427  0.640682  0.350250  1
  Al  Al198  1  0.190878  0.632419  0.376104  1
  Al  Al199  1  0.690614  0.631483  0.376400  1
  Al  Al200  1  0.991519  0.623754  0.401764  1
  Al  Al201  1  0.390370  0.639974  0.350299  1
  Al  Al202  1  0.649172  0.538947  0.408392  1
  Al  Al203  1  0.048554  0.555092  0.356577  1
  Al  Al204  1  0.348985  0.546937  0.382554  1
  Al  Al205  1  0.633615  0.700531  0.421391  1
  Al  Al206  1  0.032159  0.717540  0.369707  1
  Al  Al207  1  0.332692  0.708844  0.395291  1
  Al  Al208  1  0.665540  0.375895  0.395540  1
  Al  Al209  1  0.966381  0.367590  0.421431  1
  Al  Al210  1  0.364813  0.384229  0.369846  1
  Al  Al211  1  0.564768  0.393238  0.344178  1
  Al  Al212  1  0.864940  0.384937  0.370266  1
  Al  Al213  1  0.165761  0.376539  0.395643  1
  Al  Al214  1  0.674588  0.795596  0.389221  1
  Al  Al215  1  0.974557  0.786910  0.414708  1
  Al  Al216  1  0.373556  0.803637  0.363417  1
  Al  Al217  1  0.657405  0.957293  0.401667  1
  Al  Al218  1  0.057444  0.973724  0.350240  1
  Al  Al219  1  0.357737  0.965503  0.376057  1
  Al  Al220  1  0.640945  0.120024  0.414842  1
  Al  Al221  1  0.039888  0.136684  0.363390  1
  Al  Al222  1  0.340934  0.128262  0.388909  1
  Al  Al223  1  0.539594  0.136136  0.363364  1
  Al  Al224  1  0.841268  0.127716  0.389096  1
  Al  Al225  1  0.141389  0.119467  0.414709  1
  Al  Al226  1  0.499119  0.042687  0.395186  1
  Al  Al227  1  0.899100  0.059351  0.344014  1
  Al  Al228  1  0.199073  0.051150  0.369709  1
  Al  Al229  1  0.482509  0.204844  0.408172  1
  Al  Al230  1  0.881229  0.221774  0.356897  1
  Al  Al231  1  0.182494  0.212964  0.382647  1
  Al  Al232  1  0.516082  0.880526  0.382538  1
  Al  Al233  1  0.816382  0.871551  0.408335  1
  Al  Al234  1  0.215493  0.888613  0.356722  1
  Al  Al235  1  0.715572  0.889442  0.356800  1
  Al  Al236  1  0.015985  0.880425  0.382820  1
  Al  Al237  1  0.316414  0.872392  0.408326  1
  Al  Al238  1  0.523482  0.299249  0.376457  1
  Al  Al239  1  0.824038  0.291257  0.402088  1
  Al  Al240  1  0.222634  0.307782  0.350639  1
  Al  Al241  1  0.408655  0.436198  0.466206  1
  Al  Al242  1  0.709396  0.427944  0.492041  1
  Al  Al243  1  0.108418  0.444660  0.440616  1
  Al  Al244  1  0.392480  0.599308  0.479057  1
  Al  Al245  1  0.791814  0.615964  0.427758  1
  Al  Al246  1  0.092130  0.607578  0.453347  1
  Al  Al247  1  0.592071  0.606953  0.453351  1
  Al  Al248  1  0.892690  0.598604  0.479101  1
  Al  Al249  1  0.291593  0.615217  0.427534  1
  Al  Al250  1  0.550993  0.513843  0.485551  1
  Al  Al251  1  0.950222  0.530600  0.434246  1
  Al  Al252  1  0.250259  0.522203  0.459762  1
  Al  Al253  1  0.534659  0.675570  0.498252  1
  Al  Al254  1  0.933836  0.692235  0.446821  1
  Al  Al255  1  0.234266  0.683944  0.472560  1
  Al  Al256  1  0.567246  0.350830  0.472678  1
  Al  Al257  1  0.867795  0.342544  0.498502  1
  Al  Al258  1  0.266736  0.359173  0.446961  1
  Al  Al259  1  0.466053  0.368105  0.421287  1
  Al  Al260  1  0.766691  0.359812  0.447094  1
  Al  Al261  1  0.067220  0.351458  0.472814  1
  Al  Al262  1  0.575582  0.770281  0.466223  1
  Al  Al263  1  0.876240  0.762000  0.492010  1
  Al  Al264  1  0.275282  0.778626  0.440581  1
  Al  Al265  1  0.559298  0.932042  0.478992  1
  Al  Al266  1  0.958929  0.948686  0.427856  1
  Al  Al267  1  0.258707  0.940418  0.453309  1
  Al  Al268  1  0.542720  0.095140  0.491854  1
  Al  Al269  1  0.942038  0.111773  0.440542  1
  Al  Al270  1  0.242208  0.103394  0.466189  1
  Al  Al271  1  0.441873  0.111096  0.440336  1
  Al  Al272  1  0.742215  0.102851  0.466215  1
  Al  Al273  1  0.042907  0.094467  0.491904  1
  Al  Al274  1  0.400614  0.018059  0.472551  1
  Al  Al275  1  0.799771  0.035001  0.421306  1
  Al  Al276  1  0.100458  0.026252  0.446929  1
  Al  Al277  1  0.384262  0.179754  0.485414  1
  Al  Al278  1  0.783543  0.196385  0.434167  1
  Al  Al279  1  0.083874  0.188131  0.459725  1
  Al  Al280  1  0.417227  0.854987  0.459746  1
  Al  Al281  1  0.717794  0.846719  0.485422  1
  Al  Al282  1  0.116955  0.863336  0.434097  1
  Al  Al283  1  0.616806  0.864021  0.434067  1
  Al  Al284  1  0.917260  0.855647  0.459838  1
  Al  Al285  1  0.217719  0.847186  0.485549  1
  Al  Al286  1  0.424977  0.274504  0.453424  1
  Al  Al287  1  0.725681  0.266097  0.479241  1
  Al  Al288  1  0.124801  0.282766  0.427891  1
  Al  Al289  1  0.310178  0.411315  0.543415  1
  Al  Al290  1  0.610333  0.402720  0.568902  1
  Al  Al291  1  0.009873  0.419553  0.517761  1
  Al  Al292  1  0.294003  0.574215  0.556238  1
  Al  Al293  1  0.693044  0.590854  0.504842  1
  Al  Al294  1  0.993646  0.582556  0.530546  1
  Al  Al295  1  0.493592  0.581949  0.530452  1
  Al  Al296  1  0.794136  0.573580  0.556191  1
  Al  Al297  1  0.193127  0.590367  0.504753  1
  Al  Al298  1  0.452001  0.488854  0.562528  1
  Al  Al299  1  0.851467  0.505472  0.511312  1
  Al  Al300  1  0.152093  0.497153  0.537026  1
  Al  Al301  1  0.436360  0.650668  0.575480  1
  Al  Al302  1  0.835253  0.667290  0.524020  1
  Al  Al303  1  0.135787  0.658905  0.549730  1
  Al  Al304  1  0.468386  0.325867  0.549797  1
  Al  Al305  1  0.769463  0.317440  0.575489  1
  Al  Al306  1  0.168195  0.334215  0.524177  1
  Al  Al307  1  0.367570  0.343108  0.498441  1
  Al  Al308  1  0.668280  0.334788  0.524143  1
  Al  Al309  1  0.968583  0.326526  0.550092  1
  Al  Al310  1  0.477131  0.745318  0.543451  1
  Al  Al311  1  0.777330  0.737072  0.568935  1
  Al  Al312  1  0.176623  0.753647  0.517690  1
  Al  Al313  1  0.460546  0.907069  0.556084  1
  Al  Al314  1  0.859756  0.923802  0.504767  1
  Al  Al315  1  0.160486  0.915373  0.530570  1
  Al  Al316  1  0.443865  0.069966  0.568905  1
  Al  Al317  1  0.843271  0.086753  0.517686  1
  Al  Al318  1  0.143716  0.078414  0.543372  1
  Al  Al319  1  0.343170  0.086195  0.517526  1
  Al  Al320  1  0.643813  0.077840  0.543225  1
  Al  Al321  1  0.944339  0.069490  0.569068  1
  Al  Al322  1  0.302218  0.992913  0.549738  1
  Al  Al323  1  0.701307  0.009641  0.498306  1
  Al  Al324  1  1.001805  1.001397  0.524095  1
  Al  Al325  1  0.285406  0.154805  0.562455  1
  Al  Al326  1  0.684766  0.171526  0.511133  1
  Al  Al327  1  0.985541  0.163133  0.536973  1
  Al  Al328  1  0.318738  0.830037  0.536936  1
  Al  Al329  1  0.618964  0.821624  0.562538  1
  Al  Al330  1  0.018345  0.838293  0.511240  1
  Al  Al331  1  0.518083  0.838945  0.511190  1
  Al  Al332  1  0.818833  0.830621  0.536882  1
  Al  Al333  1  0.119231  0.822374  0.562767  1
  Al  Al334  1  0.326397  0.249505  0.530612  1
  Al  Al335  1  0.626876  0.241206  0.556263  1
  Al  Al336  1  0.026177  0.257903  0.504979  1
  Al  Al337  1  0.211162  0.386460  0.620769  1
  Al  Al338  1  0.511406  0.378451  0.646539  1
  Al  Al339  1  0.911609  0.395001  0.595329  1
  Al  Al340  1  0.195806  0.548958  0.633451  1
  Al  Al341  1  0.594542  0.565974  0.581905  1
  Al  Al342  1  0.895182  0.557334  0.607698  1
  Al  Al343  1  0.395023  0.557017  0.607558  1
  Al  Al344  1  0.695653  0.548359  0.633362  1
  Al  Al345  1  0.094663  0.565239  0.581965  1
  Al  Al346  1  0.354056  0.463556  0.640093  1
  Al  Al347  1  0.753408  0.480538  0.588582  1
  Al  Al348  1  0.053244  0.471959  0.614339  1
  Al  Al349  1  0.337838  0.625697  0.652395  1
  Al  Al350  1  0.736667  0.642119  0.601082  1
  Al  Al351  1  0.037483  0.634291  0.626640  1
  Al  Al352  1  0.369647  0.301154  0.626989  1
  Al  Al353  1  0.669252  0.292445  0.652659  1
  Al  Al354  1  0.069401  0.309631  0.601688  1
  Al  Al355  1  0.268924  0.318248  0.575677  1
  Al  Al356  1  0.568855  0.309685  0.601282  1
  Al  Al357  1  0.870943  0.301581  0.626940  1
  Al  Al358  1  0.378801  0.720316  0.620454  1
  Al  Al359  1  0.679945  0.712067  0.646210  1
  Al  Al360  1  0.078469  0.728630  0.594908  1
  Al  Al361  1  0.363033  0.882118  0.633661  1
  Al  Al362  1  0.761331  0.898491  0.581731  1
  Al  Al363  1  0.061891  0.890816  0.607887  1
  Al  Al364  1  0.345801  0.044397  0.646219  1
  Al  Al365  1  0.744981  0.061932  0.594693  1
  Al  Al366  1  0.044823  0.053048  0.620622  1
  Al  Al367  1  0.244548  0.060860  0.594743  1
  Al  Al368  1  0.544901  0.052818  0.620063  1
  Al  Al369  1  0.845934  0.044352  0.646320  1
  Al  Al370  1  0.203580  0.967790  0.627119  1
  Al  Al371  1  0.602142  0.984764  0.575170  1
  Al  Al372  1  0.903724  0.976299  0.601390  1
  Al  Al373  1  0.187667  0.129565  0.639776  1
  Al  Al374  1  0.586230  0.146450  0.588272  1
  Al  Al375  1  0.886849  0.138256  0.614007  1
  Al  Al376  1  0.220410  0.805162  0.614130  1
  Al  Al377  1  0.521204  0.797280  0.640131  1
  Al  Al378  1  0.920059  0.813505  0.588235  1
  Al  Al379  1  0.419635  0.813922  0.588473  1
  Al  Al380  1  0.719854  0.805871  0.613938  1
  Al  Al381  1  0.021308  0.797372  0.639607  1
  Al  Al382  1  0.227808  0.224688  0.607753  1
  Al  Al383  1  0.528571  0.215696  0.633213  1
  Al  Al384  1  0.927918  0.232749  0.582211  1
  Al  Al385  1  0.112578  0.362040  0.698456  1
  Al  Al386  1  0.414402  0.352268  0.721276  1
  Al  Al387  1  0.810072  0.368169  0.670710  1
  Al  Al388  1  0.099401  0.525857  0.709108  1
  Al  Al389  1  0.495864  0.540402  0.658746  1
  Al  Al390  1  0.795706  0.532792  0.685297  1
  Al  Al391  1  0.297309  0.531958  0.684606  1
  Al  Al392  1  0.596591  0.523057  0.709132  1
  Al  Al393  1  0.996753  0.540502  0.658872  1
  Al  Al394  1  0.256519  0.439576  0.715419  1
  Al  Al395  1  0.652500  0.455304  0.664881  1
  Al  Al396  1  0.954709  0.449213  0.691927  1
  Al  Al397  1  0.241649  0.602191  0.726537  1
  Al  Al398  1  0.640505  0.616741  0.678026  1
  Al  Al399  1  0.937764  0.608510  0.703168  1
  Al  Al400  1  0.273480  0.276064  0.702770  1
  Al  Al401  1  0.570858  0.266822  0.726514  1
  Al  Al402  1  0.973129  0.284154  0.678391  1
  Al  Al403  1  0.170565  0.293468  0.652910  1
  Al  Al404  1  0.471112  0.284817  0.677548  1
  Al  Al405  1  0.769285  0.274713  0.704531  1
  Al  Al406  1  0.282455  0.695962  0.697579  1
  Al  Al407  1  0.583660  0.685368  0.720248  1
  Al  Al408  1  0.979130  0.704373  0.670707  1
  Al  Al409  1  0.264885  0.857061  0.709147  1
  Al  Al410  1  0.661779  0.873934  0.658854  1
  Al  Al411  1  0.963979  0.863904  0.684224  1
  Al  Al412  1  0.244758  0.020375  0.720383  1
  Al  Al413  1  0.644263  0.035691  0.671166  1
  Al  Al414  1  0.948339  0.029260  0.697987  1
  Al  Al415  1  0.146191  0.035959  0.671351  1
  Al  Al416  1  0.445727  0.026467  0.698707  1
  Al  Al417  1  0.745139  0.019462  0.720816  1
  Al  Al418  1  0.103554  0.941590  0.704280  1
  Al  Al419  1  0.503737  0.959406  0.652740  1
  Al  Al420  1  0.801361  0.951668  0.677086  1
  Al  Al421  1  0.090963  0.105776  0.714598  1
  Al  Al422  1  0.486828  0.120630  0.664505  1
  Al  Al423  1  0.789163  0.113413  0.691195  1
  Al  Al424  1  0.123971  0.780730  0.691471  1
  Al  Al425  1  0.424719  0.770572  0.714594  1
  Al  Al426  1  0.820158  0.788535  0.665010  1
  Al  Al427  1  0.322883  0.789212  0.665224  1
  Al  Al428  1  0.621936  0.780830  0.691801  1
  Al  Al429  1  0.923096  0.772274  0.715121  1
  Al  Al430  1  0.131927  0.199850  0.685145  1
  Al  Al431  1  0.429312  0.190752  0.709499  1
  Al  Al432  1  0.828464  0.208273  0.658699  1
