# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.39046486
_cell_length_b   24.30453978
_cell_length_c   48.18912674
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.08395637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl3
_chemical_formula_sum   'Ti108 Al324'
_cell_volume   14493.1019889
_cell_formula_units_Z   108
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  0.079650  0.734664  0.332995  1
  Ti  Ti2  1  0.414113  0.402129  0.333171  1
  Ti  Ti3  1  0.479824  0.750587  0.282441  1
  Ti  Ti4  1  0.747069  0.068734  0.333079  1
  Ti  Ti5  1  0.815556  0.419681  0.282727  1
  Ti  Ti6  1  0.779248  0.742387  0.306682  1
  Ti  Ti7  1  0.146631  0.084226  0.282404  1
  Ti  Ti8  1  0.109914  0.411023  0.306643  1
  Ti  Ti9  1  0.444302  0.076862  0.306645  1
  Ti  Ti10  1  0.896410  0.565498  0.345958  1
  Ti  Ti11  1  0.334348  0.256314  0.270933  1
  Ti  Ti12  1  0.296146  0.580472  0.294615  1
  Ti  Ti13  1  0.667753  0.922208  0.270923  1
  Ti  Ti14  1  0.627978  0.247212  0.293977  1
  Ti  Ti15  1  0.596368  0.573015  0.320713  1
  Ti  Ti16  1  0.961141  0.913329  0.293937  1
  Ti  Ti17  1  0.930053  0.239920  0.320356  1
  Ti  Ti18  1  0.263544  0.906191  0.320396  1
  Ti  Ti19  1  0.980325  0.712102  0.410152  1
  Ti  Ti20  1  0.313361  0.378894  0.410099  1
  Ti  Ti21  1  0.379331  0.727987  0.358426  1
  Ti  Ti22  1  0.646909  0.045501  0.410023  1
  Ti  Ti23  1  0.712582  0.394637  0.358462  1
  Ti  Ti24  1  0.680555  0.720006  0.384657  1
  Ti  Ti25  1  0.045893  0.061319  0.358300  1
  Ti  Ti26  1  0.014064  0.386725  0.384666  1
  Ti  Ti27  1  0.347263  0.053341  0.384493  1
  Ti  Ti28  1  0.797151  0.541529  0.423244  1
  Ti  Ti29  1  0.229443  0.232263  0.345211  1
  Ti  Ti30  1  0.196087  0.557400  0.371627  1
  Ti  Ti31  1  0.563013  0.898453  0.345217  1
  Ti  Ti32  1  0.531088  0.223932  0.372114  1
  Ti  Ti33  1  0.497062  0.549343  0.397434  1
  Ti  Ti34  1  0.864422  0.890420  0.372120  1
  Ti  Ti35  1  0.830457  0.216142  0.397136  1
  Ti  Ti36  1  0.163749  0.882587  0.397087  1
  Ti  Ti37  1  0.881262  0.688526  0.487460  1
  Ti  Ti38  1  0.214647  0.355155  0.487444  1
  Ti  Ti39  1  0.280775  0.704258  0.435948  1
  Ti  Ti40  1  0.548020  0.021803  0.487306  1
  Ti  Ti41  1  0.614238  0.370944  0.436033  1
  Ti  Ti42  1  0.580780  0.696434  0.461662  1
  Ti  Ti43  1  0.947672  0.037622  0.435875  1
  Ti  Ti44  1  0.914155  0.363054  0.461633  1
  Ti  Ti45  1  0.247559  0.029745  0.461487  1
  Ti  Ti46  1  0.698021  0.517896  0.500380  1
  Ti  Ti47  1  0.130625  0.208244  0.423004  1
  Ti  Ti48  1  0.097508  0.533668  0.448871  1
  Ti  Ti49  1  0.463985  0.874838  0.423008  1
  Ti  Ti50  1  0.430718  0.200386  0.448637  1
  Ti  Ti51  1  0.397709  0.525771  0.474605  1
  Ti  Ti52  1  0.764111  0.866980  0.448629  1
  Ti  Ti53  1  0.731396  0.192418  0.474581  1
  Ti  Ti54  1  0.064749  0.859073  0.474568  1
  Ti  Ti55  1  0.781863  0.664839  0.564654  1
  Ti  Ti56  1  0.115065  0.331497  0.564555  1
  Ti  Ti57  1  0.181342  0.680646  0.513092  1
  Ti  Ti58  1  0.448624  0.998188  0.564483  1
  Ti  Ti59  1  0.514631  0.347360  0.513099  1
  Ti  Ti60  1  0.481942  0.672670  0.538971  1
  Ti  Ti61  1  0.848050  0.013965  0.512950  1
  Ti  Ti62  1  0.815228  0.339392  0.538986  1
  Ti  Ti63  1  0.148673  0.006034  0.538817  1
  Ti  Ti64  1  0.599116  0.494210  0.577689  1
  Ti  Ti65  1  0.031348  0.184584  0.500178  1
  Ti  Ti66  1  0.997963  0.510055  0.525963  1
  Ti  Ti67  1  0.364683  0.851246  0.500185  1
  Ti  Ti68  1  0.331678  0.176692  0.525922  1
  Ti  Ti69  1  0.298472  0.502133  0.551856  1
  Ti  Ti70  1  0.664995  0.843363  0.525950  1
  Ti  Ti71  1  0.631748  0.168780  0.551608  1
  Ti  Ti72  1  0.965015  0.835514  0.551627  1
  Ti  Ti73  1  0.683132  0.641591  0.642369  1
  Ti  Ti74  1  0.016522  0.308256  0.642304  1
  Ti  Ti75  1  0.082179  0.657018  0.590391  1
  Ti  Ti76  1  0.349780  0.974949  0.642179  1
  Ti  Ti77  1  0.415812  0.323569  0.590423  1
  Ti  Ti78  1  0.381982  0.649176  0.615801  1
  Ti  Ti79  1  0.749084  0.990300  0.590308  1
  Ti  Ti80  1  0.715155  0.315790  0.615787  1
  Ti  Ti81  1  0.048521  0.982458  0.615630  1
  Ti  Ti82  1  0.499423  0.470340  0.655143  1
  Ti  Ti83  1  0.932592  0.160854  0.577433  1
  Ti  Ti84  1  0.898782  0.486477  0.603434  1
  Ti  Ti85  1  0.265884  0.827588  0.577439  1
  Ti  Ti86  1  0.232116  0.153067  0.603073  1
  Ti  Ti87  1  0.198174  0.478599  0.628342  1
  Ti  Ti88  1  0.565502  0.819936  0.603136  1
  Ti  Ti89  1  0.533174  0.144944  0.628826  1
  Ti  Ti90  1  0.866513  0.811779  0.628848  1
  Ti  Ti91  1  0.581733  0.617894  0.717626  1
  Ti  Ti92  1  0.912853  0.282361  0.717362  1
  Ti  Ti93  1  0.982832  0.634161  0.667560  1
  Ti  Ti94  1  0.246340  0.949369  0.717334  1
  Ti  Ti95  1  0.315125  0.300032  0.667367  1
  Ti  Ti96  1  0.283871  0.626914  0.693750  1
  Ti  Ti97  1  0.649141  0.967440  0.667441  1
  Ti  Ti98  1  0.619673  0.291507  0.693738  1
  Ti  Ti99  1  0.951546  0.959414  0.693739  1
  Ti  Ti100  1  0.395143  0.446567  0.729431  1
  Ti  Ti101  1  0.832671  0.136694  0.654409  1
  Ti  Ti102  1  0.801140  0.462424  0.681054  1
  Ti  Ti103  1  0.165777  0.803820  0.654406  1
  Ti  Ti104  1  0.134829  0.128985  0.680685  1
  Ti  Ti105  1  0.100891  0.455940  0.706312  1
  Ti  Ti106  1  0.467915  0.796061  0.680643  1
  Ti  Ti107  1  0.432418  0.122160  0.705648  1
  Ti  Ti108  1  0.765982  0.789452  0.705701  1
  Al  Al109  1  0.979030  0.752490  0.283757  1
  Al  Al110  1  0.310967  0.418910  0.283815  1
  Al  Al111  1  0.278249  0.742510  0.306798  1
  Al  Al112  1  0.644729  0.085315  0.283679  1
  Al  Al113  1  0.613046  0.410237  0.306872  1
  Al  Al114  1  0.580572  0.735485  0.333466  1
  Al  Al115  1  0.945325  0.076593  0.306805  1
  Al  Al116  1  0.913406  0.402947  0.333677  1
  Al  Al117  1  0.246704  0.068951  0.333417  1
  Al  Al118  1  0.921485  0.820790  0.327175  1
  Al  Al119  1  0.255070  0.487712  0.327347  1
  Al  Al120  1  0.322641  0.836309  0.277928  1
  Al  Al121  1  0.588174  0.154535  0.327085  1
  Al  Al122  1  0.656175  0.503962  0.278153  1
  Al  Al123  1  0.620261  0.828286  0.300607  1
  Al  Al124  1  0.989605  0.170126  0.277887  1
  Al  Al125  1  0.953848  0.497555  0.300996  1
  Al  Al126  1  0.286064  0.162463  0.300496  1
  Al  Al127  1  0.120513  0.828234  0.300905  1
  Al  Al128  1  0.454048  0.495054  0.300901  1
  Al  Al129  1  0.421782  0.820759  0.326947  1
  Al  Al130  1  0.786952  0.161947  0.300799  1
  Al  Al131  1  0.755165  0.488031  0.327435  1
  Al  Al132  1  0.820008  0.836502  0.277474  1
  Al  Al133  1  0.088403  0.154448  0.326944  1
  Al  Al134  1  0.155485  0.503998  0.278372  1
  Al  Al135  1  0.486625  0.170578  0.277425  1
  Al  Al136  1  0.095251  0.573971  0.320276  1
  Al  Al137  1  0.431404  0.240334  0.321464  1
  Al  Al138  1  0.495508  0.588831  0.271812  1
  Al  Al139  1  0.764846  0.906564  0.321466  1
  Al  Al140  1  0.828414  0.255340  0.271619  1
  Al  Al141  1  0.794473  0.581211  0.295718  1
  Al  Al142  1  0.161658  0.921765  0.271673  1
  Al  Al143  1  0.129028  0.248832  0.294079  1
  Al  Al144  1  0.462619  0.914793  0.294097  1
  Al  Al145  1  0.139241  0.665499  0.289971  1
  Al  Al146  1  0.472995  0.333656  0.288991  1
  Al  Al147  1  0.436552  0.658313  0.313927  1
  Al  Al148  1  0.806073  0.999807  0.288964  1
  Al  Al149  1  0.769744  0.325601  0.313414  1
  Al  Al150  1  0.738167  0.650662  0.339773  1
  Al  Al151  1  0.102634  0.991404  0.313611  1
  Al  Al152  1  0.071191  0.317902  0.339443  1
  Al  Al153  1  0.404800  0.984080  0.339467  1
  Al  Al154  1  0.937454  0.657592  0.313023  1
  Al  Al155  1  0.269321  0.326339  0.313686  1
  Al  Al156  1  0.238737  0.649771  0.339716  1
  Al  Al157  1  0.603223  0.992402  0.313662  1
  Al  Al158  1  0.572410  0.316514  0.339496  1
  Al  Al159  1  0.637040  0.665598  0.289088  1
  Al  Al160  1  0.905451  0.982981  0.339447  1
  Al  Al161  1  0.969860  0.333169  0.288948  1
  Al  Al162  1  0.303634  0.999186  0.288922  1
  Al  Al163  1  0.879664  0.727346  0.358449  1
  Al  Al164  1  0.212748  0.394965  0.358435  1
  Al  Al165  1  0.180267  0.719874  0.384466  1
  Al  Al166  1  0.546189  0.061556  0.358429  1
  Al  Al167  1  0.513670  0.386602  0.384590  1
  Al  Al168  1  0.480184  0.712278  0.410085  1
  Al  Al169  1  0.847109  0.053201  0.384442  1
  Al  Al170  1  0.813648  0.378934  0.410093  1
  Al  Al171  1  0.146983  0.045685  0.409935  1
  Al  Al172  1  0.822129  0.797510  0.403819  1
  Al  Al173  1  0.155274  0.464527  0.403856  1
  Al  Al174  1  0.220897  0.813044  0.352014  1
  Al  Al175  1  0.488643  0.130974  0.403795  1
  Al  Al176  1  0.554604  0.480028  0.352346  1
  Al  Al177  1  0.522043  0.805629  0.377966  1
  Al  Al178  1  0.887995  0.146840  0.352056  1
  Al  Al179  1  0.855141  0.472292  0.378263  1
  Al  Al180  1  0.188567  0.139124  0.377894  1
  Al  Al181  1  0.022319  0.804605  0.377898  1
  Al  Al182  1  0.355196  0.471742  0.378071  1
  Al  Al183  1  0.322186  0.797092  0.403566  1
  Al  Al184  1  0.689101  0.138259  0.377948  1
  Al  Al185  1  0.655527  0.463761  0.403721  1
  Al  Al186  1  0.722186  0.812611  0.351972  1
  Al  Al187  1  0.988896  0.130513  0.403501  1
  Al  Al188  1  0.054707  0.479750  0.352143  1
  Al  Al189  1  0.388303  0.146421  0.352013  1
  Al  Al190  1  0.996739  0.549368  0.397420  1
  Al  Al191  1  0.329916  0.216108  0.397033  1
  Al  Al192  1  0.396446  0.564752  0.346035  1
  Al  Al193  1  0.663330  0.882564  0.397030  1
  Al  Al194  1  0.729704  0.231797  0.345596  1
  Al  Al195  1  0.696906  0.557534  0.371906  1
  Al  Al196  1  0.062933  0.898091  0.345584  1
  Al  Al197  1  0.030495  0.224286  0.371583  1
  Al  Al198  1  0.363891  0.890594  0.371583  1
  Al  Al199  1  0.037783  0.642781  0.365238  1
  Al  Al200  1  0.371488  0.309519  0.365250  1
  Al  Al201  1  0.338576  0.634991  0.390971  1
  Al  Al202  1  0.704809  0.975998  0.365198  1
  Al  Al203  1  0.672367  0.301886  0.390998  1
  Al  Al204  1  0.638648  0.627106  0.416799  1
  Al  Al205  1  0.005789  0.968471  0.390884  1
  Al  Al206  1  0.972075  0.293774  0.416646  1
  Al  Al207  1  0.305399  0.960360  0.416538  1
  Al  Al208  1  0.838657  0.634399  0.391017  1
  Al  Al209  1  0.172221  0.301028  0.390653  1
  Al  Al210  1  0.138822  0.626593  0.416637  1
  Al  Al211  1  0.505605  0.967569  0.390587  1
  Al  Al212  1  0.472108  0.293479  0.416676  1
  Al  Al213  1  0.537952  0.642546  0.365272  1
  Al  Al214  1  0.805538  0.960061  0.416615  1
  Al  Al215  1  0.871464  0.309341  0.364985  1
  Al  Al216  1  0.204739  0.975807  0.364963  1
  Al  Al217  1  0.780806  0.704232  0.436054  1
  Al  Al218  1  0.114157  0.370866  0.436024  1
  Al  Al219  1  0.080896  0.696422  0.461634  1
  Al  Al220  1  0.447516  0.037461  0.435876  1
  Al  Al221  1  0.414156  0.363138  0.461623  1
  Al  Al222  1  0.381270  0.688465  0.487458  1
  Al  Al223  1  0.747615  0.029786  0.461506  1
  Al  Al224  1  0.714639  0.355139  0.487490  1
  Al  Al225  1  0.048071  0.021789  0.487332  1
  Al  Al226  1  0.722771  0.774101  0.480979  1
  Al  Al227  1  0.056064  0.440695  0.481044  1
  Al  Al228  1  0.122378  0.789798  0.429505  1
  Al  Al229  1  0.389466  0.107414  0.480892  1
  Al  Al230  1  0.455514  0.456428  0.429609  1
  Al  Al231  1  0.422455  0.781970  0.455235  1
  Al  Al232  1  0.789091  0.123176  0.429467  1
  Al  Al233  1  0.755787  0.448615  0.455373  1
  Al  Al234  1  0.089222  0.115342  0.455179  1
  Al  Al235  1  0.922723  0.781419  0.455181  1
  Al  Al236  1  0.255952  0.448086  0.455208  1
  Al  Al237  1  0.222985  0.773511  0.480898  1
  Al  Al238  1  0.589383  0.114784  0.455101  1
  Al  Al239  1  0.556211  0.440255  0.480988  1
  Al  Al240  1  0.622247  0.789318  0.429450  1
  Al  Al241  1  0.889712  0.106870  0.480829  1
  Al  Al242  1  0.955696  0.456009  0.429548  1
  Al  Al243  1  0.288984  0.122700  0.429341  1
  Al  Al244  1  0.897681  0.525801  0.474595  1
  Al  Al245  1  0.231143  0.192477  0.474463  1
  Al  Al246  1  0.297174  0.541581  0.423091  1
  Al  Al247  1  0.564488  0.859114  0.474475  1
  Al  Al248  1  0.631232  0.208197  0.423247  1
  Al  Al249  1  0.597430  0.533595  0.448904  1
  Al  Al250  1  0.964619  0.874748  0.423223  1
  Al  Al251  1  0.930824  0.200314  0.448681  1
  Al  Al252  1  0.264151  0.866940  0.448662  1
  Al  Al253  1  0.939064  0.619246  0.442488  1
  Al  Al254  1  0.272282  0.285954  0.442349  1
  Al  Al255  1  0.239324  0.611344  0.468176  1
  Al  Al256  1  0.605713  0.952553  0.442270  1
  Al  Al257  1  0.572692  0.277971  0.468163  1
  Al  Al258  1  0.539552  0.603465  0.493954  1
  Al  Al259  1  0.906127  0.944618  0.468051  1
  Al  Al260  1  0.872950  0.270187  0.493904  1
  Al  Al261  1  0.206384  0.936851  0.493794  1
  Al  Al262  1  0.739282  0.610867  0.468158  1
  Al  Al263  1  0.072743  0.277514  0.468011  1
  Al  Al264  1  0.039624  0.602962  0.493811  1
  Al  Al265  1  0.406063  0.944155  0.467948  1
  Al  Al266  1  0.373061  0.269592  0.493708  1
  Al  Al267  1  0.439116  0.618688  0.442365  1
  Al  Al268  1  0.706383  0.936218  0.493649  1
  Al  Al269  1  0.772689  0.285307  0.442290  1
  Al  Al270  1  0.106071  0.951934  0.442185  1
  Al  Al271  1  0.681416  0.680651  0.513155  1
  Al  Al272  1  0.014710  0.347321  0.513109  1
  Al  Al273  1  0.981701  0.672737  0.538917  1
  Al  Al274  1  0.348179  0.013974  0.512989  1
  Al  Al275  1  0.315110  0.339366  0.538915  1
  Al  Al276  1  0.281736  0.664909  0.564472  1
  Al  Al277  1  0.648501  0.006054  0.538795  1
  Al  Al278  1  0.615070  0.331611  0.564494  1
  Al  Al279  1  0.948443  0.998175  0.564323  1
  Al  Al280  1  0.623567  0.750474  0.558231  1
  Al  Al281  1  0.956654  0.417198  0.558297  1
  Al  Al282  1  0.023014  0.766199  0.506732  1
  Al  Al283  1  0.290277  0.083777  0.558113  1
  Al  Al284  1  0.356250  0.432908  0.506828  1
  Al  Al285  1  0.323421  0.758284  0.532447  1
  Al  Al286  1  0.689675  0.099497  0.506663  1
  Al  Al287  1  0.656628  0.424982  0.532590  1
  Al  Al288  1  0.990074  0.091600  0.532374  1
  Al  Al289  1  0.823282  0.757767  0.532388  1
  Al  Al290  1  0.156577  0.424485  0.532391  1
  Al  Al291  1  0.123621  0.749965  0.558078  1
  Al  Al292  1  0.490048  0.091089  0.532266  1
  Al  Al293  1  0.457093  0.416605  0.558209  1
  Al  Al294  1  0.523115  0.765645  0.506664  1
  Al  Al295  1  0.790396  0.083237  0.557990  1
  Al  Al296  1  0.856379  0.432263  0.506700  1
  Al  Al297  1  0.189877  0.098982  0.506543  1
  Al  Al298  1  0.798549  0.502231  0.551883  1
  Al  Al299  1  0.131933  0.168907  0.551630  1
  Al  Al300  1  0.197987  0.517901  0.500345  1
  Al  Al301  1  0.465273  0.835612  0.551663  1
  Al  Al302  1  0.531297  0.184578  0.500141  1
  Al  Al303  1  0.498323  0.509975  0.526133  1
  Al  Al304  1  0.864628  0.851245  0.500146  1
  Al  Al305  1  0.831785  0.176627  0.526001  1
  Al  Al306  1  0.165103  0.843313  0.525999  1
  Al  Al307  1  0.839700  0.595645  0.519676  1
  Al  Al308  1  0.173145  0.262240  0.519577  1
  Al  Al309  1  0.139878  0.587729  0.545350  1
  Al  Al310  1  0.506545  0.928924  0.519516  1
  Al  Al311  1  0.473329  0.254398  0.545311  1
  Al  Al312  1  0.440543  0.579690  0.571110  1
  Al  Al313  1  0.806655  0.921094  0.545243  1
  Al  Al314  1  0.773759  0.246341  0.571003  1
  Al  Al315  1  0.107154  0.913056  0.570902  1
  Al  Al316  1  0.640270  0.587096  0.545397  1
  Al  Al317  1  0.973596  0.253793  0.545245  1
  Al  Al318  1  0.940199  0.579298  0.571053  1
  Al  Al319  1  0.307022  0.920492  0.545198  1
  Al  Al320  1  0.273731  0.246009  0.570935  1
  Al  Al321  1  0.339905  0.595048  0.519579  1
  Al  Al322  1  0.607119  0.912715  0.570911  1
  Al  Al323  1  0.673276  0.261793  0.519504  1
  Al  Al324  1  0.006634  0.928435  0.519427  1
  Al  Al325  1  0.582589  0.656907  0.590580  1
  Al  Al326  1  0.915781  0.323593  0.590552  1
  Al  Al327  1  0.882185  0.649191  0.616141  1
  Al  Al328  1  0.249242  0.990332  0.590407  1
  Al  Al329  1  0.215458  0.315790  0.616000  1
  Al  Al330  1  0.182934  0.641850  0.642061  1
  Al  Al331  1  0.548967  0.982468  0.615972  1
  Al  Al332  1  0.516504  0.307585  0.642045  1
  Al  Al333  1  0.849706  0.975138  0.642052  1
  Al  Al334  1  0.524489  0.726832  0.635477  1
  Al  Al335  1  0.857623  0.393373  0.635759  1
  Al  Al336  1  0.923782  0.742553  0.583890  1
  Al  Al337  1  0.191084  0.059980  0.635432  1
  Al  Al338  1  0.257162  0.409004  0.583839  1
  Al  Al339  1  0.223934  0.734751  0.609519  1
  Al  Al340  1  0.590551  0.075802  0.583812  1
  Al  Al341  1  0.557066  0.401451  0.609872  1
  Al  Al342  1  0.890674  0.067971  0.609447  1
  Al  Al343  1  0.723927  0.734202  0.609599  1
  Al  Al344  1  0.056798  0.400644  0.609560  1
  Al  Al345  1  0.024634  0.726266  0.635299  1
  Al  Al346  1  0.390676  0.067467  0.609466  1
  Al  Al347  1  0.357606  0.392863  0.635267  1
  Al  Al348  1  0.424193  0.742079  0.583815  1
  Al  Al349  1  0.691285  0.059434  0.635228  1
  Al  Al350  1  0.757455  0.408744  0.583962  1
  Al  Al351  1  0.090849  0.075334  0.583700  1
  Al  Al352  1  0.699638  0.478099  0.629343  1
  Al  Al353  1  0.033217  0.144528  0.628993  1
  Al  Al354  1  0.097982  0.494353  0.577280  1
  Al  Al355  1  0.366484  0.811544  0.628995  1
  Al  Al356  1  0.432097  0.160854  0.577405  1
  Al  Al357  1  0.399271  0.486485  0.603416  1
  Al  Al358  1  0.765386  0.827623  0.577446  1
  Al  Al359  1  0.732532  0.153016  0.603021  1
  Al  Al360  1  0.065769  0.819895  0.603036  1
  Al  Al361  1  0.740425  0.572119  0.597183  1
  Al  Al362  1  0.073741  0.238786  0.597001  1
  Al  Al363  1  0.040152  0.564436  0.622632  1
  Al  Al364  1  0.407121  0.905535  0.596944  1
  Al  Al365  1  0.373955  0.230637  0.622435  1
  Al  Al366  1  0.340423  0.556418  0.648425  1
  Al  Al367  1  0.707400  0.897613  0.622492  1
  Al  Al368  1  0.674557  0.222602  0.648243  1
  Al  Al369  1  0.007341  0.889761  0.648303  1
  Al  Al370  1  0.540837  0.563506  0.622577  1
  Al  Al371  1  0.874396  0.230179  0.622262  1
  Al  Al372  1  0.841354  0.555796  0.648635  1
  Al  Al373  1  0.207595  0.897019  0.622202  1
  Al  Al374  1  0.174313  0.222173  0.648280  1
  Al  Al375  1  0.240417  0.571599  0.596679  1
  Al  Al376  1  0.508048  0.889302  0.648321  1
  Al  Al377  1  0.573943  0.237918  0.596633  1
  Al  Al378  1  0.907120  0.904704  0.596625  1
  Al  Al379  1  0.481854  0.633393  0.666778  1
  Al  Al380  1  0.815667  0.299241  0.666569  1
  Al  Al381  1  0.784519  0.626724  0.693724  1
  Al  Al382  1  0.148509  0.966100  0.666533  1
  Al  Al383  1  0.116440  0.292361  0.693619  1
  Al  Al384  1  0.084174  0.616911  0.716637  1
  Al  Al385  1  0.450206  0.959821  0.693635  1
  Al  Al386  1  0.418784  0.283812  0.716581  1
  Al  Al387  1  0.751213  0.949985  0.716479  1
  Al  Al388  1  0.426253  0.703090  0.710667  1
  Al  Al389  1  0.759676  0.368687  0.710777  1
  Al  Al390  1  0.824092  0.719488  0.660825  1
  Al  Al391  1  0.093203  0.035786  0.710636  1
  Al  Al392  1  0.157149  0.386044  0.661000  1
  Al  Al393  1  0.125310  0.711569  0.687323  1
  Al  Al394  1  0.490542  0.052625  0.660746  1
  Al  Al395  1  0.460097  0.376209  0.686717  1
  Al  Al396  1  0.792500  0.044317  0.687288  1
  Al  Al397  1  0.626275  0.711333  0.687284  1
  Al  Al398  1  0.959808  0.377376  0.687739  1
  Al  Al399  1  0.923687  0.704034  0.710367  1
  Al  Al400  1  0.292547  0.043811  0.687405  1
  Al  Al401  1  0.256710  0.369242  0.711305  1
  Al  Al402  1  0.324646  0.718844  0.660658  1
  Al  Al403  1  0.590321  0.036940  0.710322  1
  Al  Al404  1  0.658294  0.384941  0.660982  1
  Al  Al405  1  0.991584  0.051703  0.660673  1
  Al  Al406  1  0.599887  0.453900  0.706143  1
  Al  Al407  1  0.934614  0.120846  0.704484  1
  Al  Al408  1  0.999623  0.470762  0.654805  1
  Al  Al409  1  0.267597  0.788180  0.704476  1
  Al  Al410  1  0.332733  0.137454  0.654340  1
  Al  Al411  1  0.297649  0.462265  0.678958  1
  Al  Al412  1  0.666152  0.804471  0.654378  1
  Al  Al413  1  0.633889  0.128203  0.680158  1
  Al  Al414  1  0.967173  0.795307  0.680181  1
  Al  Al415  1  0.641195  0.547828  0.673246  1
  Al  Al416  1  0.974415  0.213975  0.672785  1
  Al  Al417  1  0.942431  0.540552  0.699564  1
  Al  Al418  1  0.307709  0.881023  0.672773  1
  Al  Al419  1  0.275430  0.207089  0.699545  1
  Al  Al420  1  0.243172  0.532490  0.722777  1
  Al  Al421  1  0.608530  0.874176  0.699436  1
  Al  Al422  1  0.574123  0.198390  0.721902  1
  Al  Al423  1  0.907682  0.865808  0.721832  1
  Al  Al424  1  0.442025  0.540381  0.699630  1
  Al  Al425  1  0.775168  0.204483  0.699326  1
  Al  Al426  1  0.738453  0.533688  0.722156  1
  Al  Al427  1  0.107800  0.872079  0.699183  1
  Al  Al428  1  0.071561  0.199333  0.721918  1
  Al  Al429  1  0.141563  0.548437  0.673212  1
  Al  Al430  1  0.405158  0.866525  0.721867  1
  Al  Al431  1  0.474530  0.214802  0.673019  1
  Al  Al432  1  0.807969  0.881934  0.672937  1
