# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.65484717
_cell_length_b   19.86319313
_cell_length_c   49.46299634
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.72180831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl3
_chemical_formula_sum   'Ti108 Al324'
_cell_volume   14863.5623607
_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  0.412396  0.341706  0.290556  1
  Ti  Ti2  1  0.079063  0.341706  0.290556  1
  Ti  Ti3  1  0.812294  0.808237  0.314953  1
  Ti  Ti4  1  0.745729  0.341706  0.290556  1
  Ti  Ti5  1  0.478961  0.808237  0.314953  1
  Ti  Ti6  1  0.145628  0.808237  0.314953  1
  Ti  Ti7  1  0.945463  0.074482  0.302854  1
  Ti  Ti8  1  0.612130  0.074482  0.302854  1
  Ti  Ti9  1  0.545040  0.607170  0.278531  1
  Ti  Ti10  1  0.278797  0.074482  0.302854  1
  Ti  Ti11  1  0.211707  0.607170  0.278531  1
  Ti  Ti12  1  0.878373  0.607170  0.278531  1
  Ti  Ti13  1  0.210515  0.271417  0.339551  1
  Ti  Ti14  1  0.877182  0.271417  0.339551  1
  Ti  Ti15  1  0.609952  0.737051  0.364551  1
  Ti  Ti16  1  0.543848  0.271417  0.339551  1
  Ti  Ti17  1  0.276619  0.737051  0.364551  1
  Ti  Ti18  1  0.943285  0.737051  0.364551  1
  Ti  Ti19  1  0.743511  0.004107  0.351947  1
  Ti  Ti20  1  0.410178  0.004107  0.351947  1
  Ti  Ti21  1  0.344605  0.539647  0.327214  1
  Ti  Ti22  1  0.076844  0.004107  0.351947  1
  Ti  Ti23  1  0.011272  0.539647  0.327214  1
  Ti  Ti24  1  0.677938  0.539647  0.327214  1
  Ti  Ti25  1  0.008522  0.200902  0.390408  1
  Ti  Ti26  1  0.675189  0.200902  0.390408  1
  Ti  Ti27  1  0.407647  0.665899  0.415159  1
  Ti  Ti28  1  0.341856  0.200902  0.390408  1
  Ti  Ti29  1  0.074314  0.665899  0.415159  1
  Ti  Ti30  1  0.740980  0.665899  0.415159  1
  Ti  Ti31  1  0.541311  0.933186  0.402745  1
  Ti  Ti32  1  0.207978  0.933186  0.402745  1
  Ti  Ti33  1  0.142453  0.468749  0.378047  1
  Ti  Ti34  1  0.874644  0.933186  0.402745  1
  Ti  Ti35  1  0.809120  0.468749  0.378047  1
  Ti  Ti36  1  0.475787  0.468749  0.378047  1
  Ti  Ti37  1  0.806486  0.130303  0.440233  1
  Ti  Ti38  1  0.473152  0.130303  0.440233  1
  Ti  Ti39  1  0.205622  0.595306  0.465385  1
  Ti  Ti40  1  0.139819  0.130303  0.440233  1
  Ti  Ti41  1  0.872289  0.595306  0.465385  1
  Ti  Ti42  1  0.538956  0.595306  0.465385  1
  Ti  Ti43  1  0.339318  0.862672  0.452734  1
  Ti  Ti44  1  0.005985  0.862672  0.452734  1
  Ti  Ti45  1  0.940469  0.398240  0.427754  1
  Ti  Ti46  1  0.672652  0.862672  0.452734  1
  Ti  Ti47  1  0.607136  0.398240  0.427754  1
  Ti  Ti48  1  0.273802  0.398240  0.427754  1
  Ti  Ti49  1  0.604321  0.059439  0.490448  1
  Ti  Ti50  1  0.270988  0.059439  0.490448  1
  Ti  Ti51  1  0.003449  0.524423  0.515527  1
  Ti  Ti52  1  0.937654  0.059439  0.490448  1
  Ti  Ti53  1  0.670115  0.524423  0.515527  1
  Ti  Ti54  1  0.336782  0.524423  0.515527  1
  Ti  Ti55  1  0.137196  0.791889  0.503003  1
  Ti  Ti56  1  0.803863  0.791889  0.503003  1
  Ti  Ti57  1  0.738277  0.327315  0.478012  1
  Ti  Ti58  1  0.470529  0.791889  0.503003  1
  Ti  Ti59  1  0.404944  0.327315  0.478012  1
  Ti  Ti60  1  0.071610  0.327315  0.478012  1
  Ti  Ti61  1  0.402088  0.988438  0.540643  1
  Ti  Ti62  1  0.068755  0.988438  0.540643  1
  Ti  Ti63  1  0.801295  0.453579  0.565773  1
  Ti  Ti64  1  0.735422  0.988438  0.540643  1
  Ti  Ti65  1  0.467962  0.453579  0.565773  1
  Ti  Ti66  1  0.134628  0.453579  0.565773  1
  Ti  Ti67  1  0.935152  0.721258  0.553381  1
  Ti  Ti68  1  0.601818  0.721258  0.553381  1
  Ti  Ti69  1  0.536116  0.256460  0.528036  1
  Ti  Ti70  1  0.268485  0.721258  0.553381  1
  Ti  Ti71  1  0.202782  0.256460  0.528036  1
  Ti  Ti72  1  0.869449  0.256460  0.528036  1
  Ti  Ti73  1  0.200098  0.917923  0.590699  1
  Ti  Ti74  1  0.866765  0.917923  0.590699  1
  Ti  Ti75  1  0.599244  0.382952  0.615583  1
  Ti  Ti76  1  0.533431  0.917923  0.590699  1
  Ti  Ti77  1  0.265911  0.382952  0.615583  1
  Ti  Ti78  1  0.932578  0.382952  0.615583  1
  Ti  Ti79  1  0.733177  0.650779  0.603246  1
  Ti  Ti80  1  0.399843  0.650779  0.603246  1
  Ti  Ti81  1  0.333957  0.185603  0.578149  1
  Ti  Ti82  1  0.066510  0.650779  0.603246  1
  Ti  Ti83  1  1.000624  0.185603  0.578149  1
  Ti  Ti84  1  0.667291  0.185603  0.578149  1
  Ti  Ti85  1  0.998322  0.847818  0.641996  1
  Ti  Ti86  1  0.664989  0.847818  0.641996  1
  Ti  Ti87  1  0.397287  0.312496  0.666339  1
  Ti  Ti88  1  0.331656  0.847818  0.641996  1
  Ti  Ti89  1  0.063954  0.312496  0.666339  1
  Ti  Ti90  1  0.730621  0.312496  0.666339  1
  Ti  Ti91  1  0.531071  0.580052  0.654108  1
  Ti  Ti92  1  0.197737  0.580052  0.654108  1
  Ti  Ti93  1  0.131492  0.114125  0.628219  1
  Ti  Ti94  1  0.864404  0.580052  0.654108  1
  Ti  Ti95  1  0.798158  0.114125  0.628219  1
  Ti  Ti96  1  0.464825  0.114125  0.628219  1
  Ti  Ti97  1  0.796240  0.777194  0.690820  1
  Ti  Ti98  1  0.462907  0.777194  0.690820  1
  Ti  Ti99  1  0.194696  0.240770  0.715148  1
  Ti  Ti100  1  0.129574  0.777194  0.690820  1
  Ti  Ti101  1  0.861363  0.240770  0.715148  1
  Ti  Ti102  1  0.528030  0.240770  0.715148  1
  Ti  Ti103  1  0.328921  0.509262  0.703116  1
  Ti  Ti104  1  0.995587  0.509262  0.703116  1
  Ti  Ti105  1  0.929452  0.043465  0.678285  1
  Ti  Ti106  1  0.662254  0.509262  0.703116  1
  Ti  Ti107  1  0.596118  0.043465  0.678285  1
  Ti  Ti108  1  0.262785  0.043465  0.678285  1
  Al  Al109  1  0.246506  0.343264  0.290393  1
  Al  Al110  1  0.913172  0.343264  0.290393  1
  Al  Al111  1  0.645400  0.807790  0.314665  1
  Al  Al112  1  0.579839  0.343264  0.290393  1
  Al  Al113  1  0.312067  0.807790  0.314665  1
  Al  Al114  1  0.978733  0.807790  0.314665  1
  Al  Al115  1  0.396093  0.475661  0.284489  1
  Al  Al116  1  0.062760  0.475661  0.284489  1
  Al  Al117  1  0.796050  0.941882  0.309031  1
  Al  Al118  1  0.729427  0.475661  0.284489  1
  Al  Al119  1  0.462717  0.941882  0.309031  1
  Al  Al120  1  0.129383  0.941882  0.309031  1
  Al  Al121  1  0.562554  0.475609  0.284494  1
  Al  Al122  1  0.229221  0.475609  0.284494  1
  Al  Al123  1  0.962191  0.941791  0.309035  1
  Al  Al124  1  0.895888  0.475609  0.284494  1
  Al  Al125  1  0.628857  0.941791  0.309035  1
  Al  Al126  1  0.295524  0.941791  0.309035  1
  Al  Al127  1  0.113199  0.076627  0.302825  1
  Al  Al128  1  0.779866  0.076627  0.302825  1
  Al  Al129  1  0.713369  0.610502  0.278943  1
  Al  Al130  1  0.446532  0.076627  0.302825  1
  Al  Al131  1  0.380035  0.610502  0.278943  1
  Al  Al132  1  0.046702  0.610502  0.278943  1
  Al  Al133  1  0.263248  0.208844  0.296758  1
  Al  Al134  1  0.929915  0.208844  0.296758  1
  Al  Al135  1  0.662055  0.674410  0.320881  1
  Al  Al136  1  0.596581  0.208844  0.296758  1
  Al  Al137  1  0.328722  0.674410  0.320881  1
  Al  Al138  1  0.995388  0.674410  0.320881  1
  Al  Al139  1  0.095325  0.208774  0.296761  1
  Al  Al140  1  0.761992  0.208774  0.296761  1
  Al  Al141  1  0.495227  0.674326  0.320904  1
  Al  Al142  1  0.428658  0.208774  0.296761  1
  Al  Al143  1  0.161894  0.674326  0.320904  1
  Al  Al144  1  0.828560  0.674326  0.320904  1
  Al  Al145  1  0.043964  0.271652  0.340476  1
  Al  Al146  1  0.710631  0.271652  0.340476  1
  Al  Al147  1  0.443278  0.737042  0.365061  1
  Al  Al148  1  0.377297  0.271652  0.340476  1
  Al  Al149  1  0.109945  0.737042  0.365061  1
  Al  Al150  1  0.776612  0.737042  0.365061  1
  Al  Al151  1  0.194302  0.405695  0.334137  1
  Al  Al152  1  0.860969  0.405695  0.334137  1
  Al  Al153  1  0.593402  0.870763  0.358737  1
  Al  Al154  1  0.527635  0.405695  0.334137  1
  Al  Al155  1  0.260068  0.870763  0.358737  1
  Al  Al156  1  0.926735  0.870763  0.358737  1
  Al  Al157  1  0.360969  0.405640  0.334139  1
  Al  Al158  1  0.027636  0.405640  0.334139  1
  Al  Al159  1  0.760215  0.870695  0.358741  1
  Al  Al160  1  0.694303  0.405640  0.334139  1
  Al  Al161  1  0.426882  0.870695  0.358741  1
  Al  Al162  1  0.093548  0.870695  0.358741  1
  Al  Al163  1  0.910174  0.004100  0.352787  1
  Al  Al164  1  0.576841  0.004100  0.352787  1
  Al  Al165  1  0.510901  0.538902  0.328299  1
  Al  Al166  1  0.243508  0.004100  0.352787  1
  Al  Al167  1  0.177568  0.538902  0.328299  1
  Al  Al168  1  0.844235  0.538902  0.328299  1
  Al  Al169  1  0.060316  0.138100  0.346486  1
  Al  Al170  1  0.726982  0.138100  0.346486  1
  Al  Al171  1  0.459389  0.603115  0.371175  1
  Al  Al172  1  0.393649  0.138100  0.346486  1
  Al  Al173  1  0.126056  0.603115  0.371175  1
  Al  Al174  1  0.792723  0.603115  0.371175  1
  Al  Al175  1  0.894028  0.138032  0.346488  1
  Al  Al176  1  0.560695  0.138032  0.346488  1
  Al  Al177  1  0.293190  0.603059  0.371180  1
  Al  Al178  1  0.227361  0.138032  0.346488  1
  Al  Al179  1  0.959856  0.603059  0.371180  1
  Al  Al180  1  0.626523  0.603059  0.371180  1
  Al  Al181  1  0.842083  0.201353  0.390083  1
  Al  Al182  1  0.508749  0.201353  0.390083  1
  Al  Al183  1  0.240991  0.665921  0.414975  1
  Al  Al184  1  0.175416  0.201353  0.390083  1
  Al  Al185  1  0.907658  0.665921  0.414975  1
  Al  Al186  1  0.574325  0.665921  0.414975  1
  Al  Al187  1  0.991644  0.334760  0.383870  1
  Al  Al188  1  0.658311  0.334760  0.383870  1
  Al  Al189  1  0.390723  0.799547  0.408791  1
  Al  Al190  1  0.324978  0.334760  0.383870  1
  Al  Al191  1  0.057390  0.799547  0.408791  1
  Al  Al192  1  0.724056  0.799547  0.408791  1
  Al  Al193  1  0.159233  0.334696  0.383875  1
  Al  Al194  1  0.825899  0.334696  0.383875  1
  Al  Al195  1  0.558201  0.799480  0.408797  1
  Al  Al196  1  0.492566  0.334696  0.383875  1
  Al  Al197  1  0.224868  0.799480  0.408797  1
  Al  Al198  1  0.891535  0.799480  0.408797  1
  Al  Al199  1  0.708199  0.933627  0.402474  1
  Al  Al200  1  0.374866  0.933627  0.402474  1
  Al  Al201  1  0.309506  0.469521  0.377657  1
  Al  Al202  1  0.041533  0.933627  0.402474  1
  Al  Al203  1  0.976173  0.469521  0.377657  1
  Al  Al204  1  0.642840  0.469521  0.377657  1
  Al  Al205  1  0.857771  0.066995  0.396302  1
  Al  Al206  1  0.524438  0.066995  0.396302  1
  Al  Al207  1  0.257380  0.532250  0.421597  1
  Al  Al208  1  0.191104  0.066995  0.396302  1
  Al  Al209  1  0.924046  0.532250  0.421597  1
  Al  Al210  1  0.590713  0.532250  0.421597  1
  Al  Al211  1  0.691980  0.066929  0.396306  1
  Al  Al212  1  0.358646  0.066929  0.396306  1
  Al  Al213  1  0.090886  0.532184  0.421604  1
  Al  Al214  1  0.025313  0.066929  0.396306  1
  Al  Al215  1  0.757552  0.532184  0.421604  1
  Al  Al216  1  0.424219  0.532184  0.421604  1
  Al  Al217  1  0.639694  0.130053  0.440343  1
  Al  Al218  1  0.306360  0.130053  0.440343  1
  Al  Al219  1  0.038977  0.595348  0.465419  1
  Al  Al220  1  0.973027  0.130053  0.440343  1
  Al  Al221  1  0.705643  0.595348  0.465419  1
  Al  Al222  1  0.372310  0.595348  0.465419  1
  Al  Al223  1  0.790055  0.264307  0.434122  1
  Al  Al224  1  0.456721  0.264307  0.434122  1
  Al  Al225  1  0.188927  0.728976  0.459058  1
  Al  Al226  1  0.123388  0.264307  0.434122  1
  Al  Al227  1  0.855593  0.728976  0.459058  1
  Al  Al228  1  0.522260  0.728976  0.459058  1
  Al  Al229  1  0.956908  0.264242  0.434128  1
  Al  Al230  1  0.623575  0.264242  0.434128  1
  Al  Al231  1  0.355968  0.728912  0.459064  1
  Al  Al232  1  0.290242  0.264242  0.434128  1
  Al  Al233  1  0.022634  0.728912  0.459064  1
  Al  Al234  1  0.689301  0.728912  0.459064  1
  Al  Al235  1  0.505896  0.862494  0.452822  1
  Al  Al236  1  0.172562  0.862494  0.452822  1
  Al  Al237  1  0.106934  0.397838  0.427915  1
  Al  Al238  1  0.839229  0.862494  0.452822  1
  Al  Al239  1  0.773601  0.397838  0.427915  1
  Al  Al240  1  0.440268  0.397838  0.427915  1
  Al  Al241  1  0.656070  0.996491  0.446539  1
  Al  Al242  1  0.322737  0.996491  0.446539  1
  Al  Al243  1  0.055125  0.461328  0.471671  1
  Al  Al244  1  0.989404  0.996491  0.446539  1
  Al  Al245  1  0.721792  0.461328  0.471671  1
  Al  Al246  1  0.388458  0.461328  0.471671  1
  Al  Al247  1  0.489707  0.996426  0.446544  1
  Al  Al248  1  0.156373  0.996426  0.446544  1
  Al  Al249  1  0.888758  0.461264  0.471677  1
  Al  Al250  1  0.823040  0.996426  0.446544  1
  Al  Al251  1  0.555425  0.461264  0.471677  1
  Al  Al252  1  0.222091  0.461264  0.471677  1
  Al  Al253  1  0.437662  0.059455  0.490444  1
  Al  Al254  1  0.104329  0.059455  0.490444  1
  Al  Al255  1  0.836725  0.524309  0.515557  1
  Al  Al256  1  0.770996  0.059455  0.490444  1
  Al  Al257  1  0.503392  0.524309  0.515557  1
  Al  Al258  1  0.170058  0.524309  0.515557  1
  Al  Al259  1  0.587754  0.193378  0.484159  1
  Al  Al260  1  0.254421  0.193378  0.484159  1
  Al  Al261  1  0.986755  0.658269  0.509360  1
  Al  Al262  1  0.921088  0.193378  0.484159  1
  Al  Al263  1  0.653421  0.658269  0.509360  1
  Al  Al264  1  0.320088  0.658269  0.509360  1
  Al  Al265  1  0.754811  0.193312  0.484165  1
  Al  Al266  1  0.421477  0.193312  0.484165  1
  Al  Al267  1  0.153973  0.658204  0.509365  1
  Al  Al268  1  0.088144  0.193312  0.484165  1
  Al  Al269  1  0.820640  0.658204  0.509365  1
  Al  Al270  1  0.487306  0.658204  0.509365  1
  Al  Al271  1  0.303847  0.791858  0.503022  1
  Al  Al272  1  0.970514  0.791858  0.503022  1
  Al  Al273  1  0.905026  0.327479  0.477943  1
  Al  Al274  1  0.637181  0.791858  0.503022  1
  Al  Al275  1  0.571692  0.327479  0.477943  1
  Al  Al276  1  0.238359  0.327479  0.477943  1
  Al  Al277  1  0.453830  0.925647  0.496684  1
  Al  Al278  1  0.120496  0.925647  0.496684  1
  Al  Al279  1  0.852982  0.390523  0.521849  1
  Al  Al280  1  0.787163  0.925647  0.496684  1
  Al  Al281  1  0.519649  0.390523  0.521849  1
  Al  Al282  1  0.186316  0.390523  0.521849  1
  Al  Al283  1  0.287637  0.925582  0.496690  1
  Al  Al284  1  0.954303  0.925582  0.496690  1
  Al  Al285  1  0.686633  0.390458  0.521854  1
  Al  Al286  1  0.620970  0.925582  0.496690  1
  Al  Al287  1  0.353299  0.390458  0.521854  1
  Al  Al288  1  0.019966  0.390458  0.521854  1
  Al  Al289  1  0.235486  0.988567  0.540539  1
  Al  Al290  1  0.902153  0.988567  0.540539  1
  Al  Al291  1  0.634772  0.453865  0.565661  1
  Al  Al292  1  0.568819  0.988567  0.540539  1
  Al  Al293  1  0.301438  0.453865  0.565661  1
  Al  Al294  1  0.968105  0.453865  0.565661  1
  Al  Al295  1  0.385687  0.122513  0.534299  1
  Al  Al296  1  0.052354  0.122513  0.534299  1
  Al  Al297  1  0.784725  0.587463  0.559457  1
  Al  Al298  1  0.719021  0.122513  0.534299  1
  Al  Al299  1  0.451392  0.587463  0.559457  1
  Al  Al300  1  0.118058  0.587463  0.559457  1
  Al  Al301  1  0.552550  0.122449  0.534304  1
  Al  Al302  1  0.219217  0.122449  0.534304  1
  Al  Al303  1  0.951730  0.587398  0.559463  1
  Al  Al304  1  0.885884  0.122449  0.534304  1
  Al  Al305  1  0.618397  0.587398  0.559463  1
  Al  Al306  1  0.285063  0.587398  0.559463  1
  Al  Al307  1  0.101993  0.721606  0.553261  1
  Al  Al308  1  0.768660  0.721606  0.553261  1
  Al  Al309  1  0.702732  0.256359  0.528047  1
  Al  Al310  1  0.435326  0.721606  0.553261  1
  Al  Al311  1  0.369399  0.256359  0.528047  1
  Al  Al312  1  0.036065  0.256359  0.528047  1
  Al  Al313  1  0.251786  0.854854  0.546929  1
  Al  Al314  1  0.918452  0.854854  0.546929  1
  Al  Al315  1  0.650834  0.319595  0.571875  1
  Al  Al316  1  0.585119  0.854854  0.546929  1
  Al  Al317  1  0.317500  0.319595  0.571875  1
  Al  Al318  1  0.984167  0.319595  0.571875  1
  Al  Al319  1  0.085425  0.854789  0.546935  1
  Al  Al320  1  0.752092  0.854789  0.546935  1
  Al  Al321  1  0.484385  0.319529  0.571880  1
  Al  Al322  1  0.418758  0.854789  0.546935  1
  Al  Al323  1  0.151052  0.319529  0.571880  1
  Al  Al324  1  0.817718  0.319529  0.571880  1
  Al  Al325  1  0.033292  0.917644  0.591080  1
  Al  Al326  1  0.699959  0.917644  0.591080  1
  Al  Al327  1  0.432296  0.382391  0.615863  1
  Al  Al328  1  0.366625  0.917644  0.591080  1
  Al  Al329  1  0.098963  0.382391  0.615863  1
  Al  Al330  1  0.765630  0.382391  0.615863  1
  Al  Al331  1  0.183483  0.051672  0.584361  1
  Al  Al332  1  0.850149  0.051672  0.584361  1
  Al  Al333  1  0.582464  0.516989  0.609720  1
  Al  Al334  1  0.516816  0.051672  0.584361  1
  Al  Al335  1  0.249131  0.516989  0.609720  1
  Al  Al336  1  0.915798  0.516989  0.609720  1
  Al  Al337  1  0.350451  0.051606  0.584367  1
  Al  Al338  1  0.017118  0.051606  0.584367  1
  Al  Al339  1  0.750048  0.516924  0.609724  1
  Al  Al340  1  0.683784  0.051606  0.584367  1
  Al  Al341  1  0.416714  0.516924  0.609724  1
  Al  Al342  1  0.083381  0.516924  0.609724  1
  Al  Al343  1  0.899544  0.650185  0.603558  1
  Al  Al344  1  0.566211  0.650185  0.603558  1
  Al  Al345  1  0.500676  0.185707  0.578213  1
  Al  Al346  1  0.232877  0.650185  0.603558  1
  Al  Al347  1  0.167342  0.185707  0.578213  1
  Al  Al348  1  0.834009  0.185707  0.578213  1
  Al  Al349  1  0.049469  0.784630  0.597442  1
  Al  Al350  1  0.716135  0.784630  0.597442  1
  Al  Al351  1  0.448549  0.248860  0.622038  1
  Al  Al352  1  0.382802  0.784630  0.597442  1
  Al  Al353  1  0.115216  0.248860  0.622038  1
  Al  Al354  1  0.781882  0.248860  0.622038  1
  Al  Al355  1  0.884062  0.784567  0.597447  1
  Al  Al356  1  0.550729  0.784567  0.597447  1
  Al  Al357  1  0.282482  0.248801  0.622042  1
  Al  Al358  1  0.217395  0.784567  0.597447  1
  Al  Al359  1  0.949149  0.248801  0.622042  1
  Al  Al360  1  0.615816  0.248801  0.622042  1
  Al  Al361  1  0.831650  0.847807  0.640959  1
  Al  Al362  1  0.498317  0.847807  0.640959  1
  Al  Al363  1  0.230463  0.312178  0.665468  1
  Al  Al364  1  0.164984  0.847807  0.640959  1
  Al  Al365  1  0.897129  0.312178  0.665468  1
  Al  Al366  1  0.563796  0.312178  0.665468  1
  Al  Al367  1  0.981165  0.980605  0.634591  1
  Al  Al368  1  0.647832  0.980605  0.634591  1
  Al  Al369  1  0.380502  0.445917  0.659487  1
  Al  Al370  1  0.314498  0.980605  0.634591  1
  Al  Al371  1  0.047168  0.445917  0.659487  1
  Al  Al372  1  0.713835  0.445917  0.659487  1
  Al  Al373  1  0.148252  0.980544  0.634599  1
  Al  Al374  1  0.814919  0.980544  0.634599  1
  Al  Al375  1  0.547454  0.445852  0.659489  1
  Al  Al376  1  0.481586  0.980544  0.634599  1
  Al  Al377  1  0.214121  0.445852  0.659489  1
  Al  Al378  1  0.880787  0.445852  0.659489  1
  Al  Al379  1  0.697656  0.579887  0.653198  1
  Al  Al380  1  0.364323  0.579887  0.653198  1
  Al  Al381  1  0.298130  0.114072  0.628113  1
  Al  Al382  1  0.030989  0.579887  0.653198  1
  Al  Al383  1  0.964797  0.114072  0.628113  1
  Al  Al384  1  0.631463  0.114072  0.628113  1
  Al  Al385  1  0.847710  0.713615  0.647209  1
  Al  Al386  1  0.514376  0.713615  0.647209  1
  Al  Al387  1  0.246963  0.178214  0.671366  1
  Al  Al388  1  0.181043  0.713615  0.647209  1
  Al  Al389  1  0.913629  0.178214  0.671366  1
  Al  Al390  1  0.580296  0.178214  0.671366  1
  Al  Al391  1  0.681314  0.713545  0.647211  1
  Al  Al392  1  0.347981  0.713545  0.647211  1
  Al  Al393  1  0.079980  0.178154  0.671369  1
  Al  Al394  1  0.014647  0.713545  0.647211  1
  Al  Al395  1  0.746647  0.178154  0.671369  1
  Al  Al396  1  0.413313  0.178154  0.671369  1
  Al  Al397  1  0.628423  0.774888  0.690961  1
  Al  Al398  1  0.295089  0.774888  0.690961  1
  Al  Al399  1  0.027507  0.239711  0.715363  1
  Al  Al400  1  0.961756  0.774888  0.690961  1
  Al  Al401  1  0.694174  0.239711  0.715363  1
  Al  Al402  1  0.360841  0.239711  0.715363  1
  Al  Al403  1  0.779926  0.910449  0.685133  1
  Al  Al404  1  0.446593  0.910449  0.685133  1
  Al  Al405  1  0.179034  0.374495  0.709152  1
  Al  Al406  1  0.113259  0.910449  0.685133  1
  Al  Al407  1  0.845701  0.374495  0.709152  1
  Al  Al408  1  0.512367  0.374495  0.709152  1
  Al  Al409  1  0.945841  0.910355  0.685140  1
  Al  Al410  1  0.612508  0.910355  0.685140  1
  Al  Al411  1  0.344032  0.374429  0.709155  1
  Al  Al412  1  0.279174  0.910355  0.685140  1
  Al  Al413  1  0.010699  0.374429  0.709155  1
  Al  Al414  1  0.677365  0.374429  0.709155  1
  Al  Al415  1  0.494535  0.507152  0.703131  1
  Al  Al416  1  0.161202  0.507152  0.703131  1
  Al  Al417  1  0.095573  0.042377  0.678226  1
  Al  Al418  1  0.827868  0.507152  0.703131  1
  Al  Al419  1  0.762239  0.042377  0.678226  1
  Al  Al420  1  0.428906  0.042377  0.678226  1
  Al  Al421  1  0.646249  0.642491  0.696881  1
  Al  Al422  1  0.312916  0.642491  0.696881  1
  Al  Al423  1  0.045886  0.108712  0.719364  1
  Al  Al424  1  0.979582  0.642491  0.696881  1
  Al  Al425  1  0.712553  0.108712  0.719364  1
  Al  Al426  1  0.379219  0.108712  0.719364  1
  Al  Al427  1  0.478139  0.642412  0.696884  1
  Al  Al428  1  0.144806  0.642412  0.696884  1
  Al  Al429  1  0.878263  0.108710  0.719369  1
  Al  Al430  1  0.811472  0.642412  0.696884  1
  Al  Al431  1  0.544930  0.108710  0.719369  1
  Al  Al432  1  0.211596  0.108710  0.719369  1
