# generated using pymatgen
data_NbAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.25501292
_cell_length_b   23.64673770
_cell_length_c   47.21179156
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.02931210
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl3
_chemical_formula_sum   'Nb108 Al324'
_cell_volume   13663.170311
_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
  Nb  Nb1  1  0.972849  0.743802  0.284202  1
  Nb  Nb2  1  0.306182  0.410468  0.284202  1
  Nb  Nb3  1  0.273656  0.735721  0.309843  1
  Nb  Nb4  1  0.639516  0.077134  0.284202  1
  Nb  Nb5  1  0.606990  0.402388  0.309843  1
  Nb  Nb6  1  0.574465  0.727642  0.335484  1
  Nb  Nb7  1  0.940323  0.069054  0.309843  1
  Nb  Nb8  1  0.907797  0.394310  0.335484  1
  Nb  Nb9  1  0.241131  0.060976  0.335484  1
  Nb  Nb10  1  0.090727  0.565015  0.322663  1
  Nb  Nb11  1  0.424061  0.231681  0.322664  1
  Nb  Nb12  1  0.489112  0.581174  0.271382  1
  Nb  Nb13  1  0.757394  0.898348  0.322663  1
  Nb  Nb14  1  0.822445  0.247841  0.271382  1
  Nb  Nb15  1  0.789919  0.573094  0.297023  1
  Nb  Nb16  1  0.155779  0.914508  0.271382  1
  Nb  Nb17  1  0.123252  0.239761  0.297023  1
  Nb  Nb18  1  0.456586  0.906428  0.297023  1
  Nb  Nb19  1  0.875273  0.719563  0.361125  1
  Nb  Nb20  1  0.208606  0.386230  0.361125  1
  Nb  Nb21  1  0.176080  0.711483  0.386766  1
  Nb  Nb22  1  0.541939  0.052896  0.361125  1
  Nb  Nb23  1  0.509414  0.378151  0.386766  1
  Nb  Nb24  1  0.476888  0.703404  0.412407  1
  Nb  Nb25  1  0.842747  0.044817  0.386766  1
  Nb  Nb26  1  0.810222  0.370071  0.412407  1
  Nb  Nb27  1  0.143555  0.036737  0.412407  1
  Nb  Nb28  1  0.993151  0.540777  0.399587  1
  Nb  Nb29  1  0.326484  0.207444  0.399587  1
  Nb  Nb30  1  0.391535  0.556936  0.348305  1
  Nb  Nb31  1  0.659818  0.874110  0.399587  1
  Nb  Nb32  1  0.724869  0.223603  0.348305  1
  Nb  Nb33  1  0.692343  0.548857  0.373946  1
  Nb  Nb34  1  0.058202  0.890269  0.348305  1
  Nb  Nb35  1  0.025676  0.215523  0.373946  1
  Nb  Nb36  1  0.359010  0.882190  0.373946  1
  Nb  Nb37  1  0.777696  0.695325  0.438048  1
  Nb  Nb38  1  0.111030  0.361992  0.438048  1
  Nb  Nb39  1  0.078504  0.687245  0.463689  1
  Nb  Nb40  1  0.444363  0.028658  0.438048  1
  Nb  Nb41  1  0.411837  0.353912  0.463689  1
  Nb  Nb42  1  0.379312  0.679166  0.489330  1
  Nb  Nb43  1  0.745171  0.020579  0.463689  1
  Nb  Nb44  1  0.712645  0.345833  0.489330  1
  Nb  Nb45  1  0.045978  0.012499  0.489330  1
  Nb  Nb46  1  0.895574  0.516539  0.476510  1
  Nb  Nb47  1  0.228908  0.183206  0.476510  1
  Nb  Nb48  1  0.293959  0.532698  0.425228  1
  Nb  Nb49  1  0.562241  0.849872  0.476510  1
  Nb  Nb50  1  0.627292  0.199365  0.425228  1
  Nb  Nb51  1  0.594767  0.524619  0.450869  1
  Nb  Nb52  1  0.960626  0.866031  0.425228  1
  Nb  Nb53  1  0.928100  0.191286  0.450869  1
  Nb  Nb54  1  0.261434  0.857952  0.450869  1
  Nb  Nb55  1  0.680120  0.671087  0.514971  1
  Nb  Nb56  1  0.013453  0.337754  0.514971  1
  Nb  Nb57  1  0.980928  0.663007  0.540612  1
  Nb  Nb58  1  0.346786  0.004420  0.514971  1
  Nb  Nb59  1  0.314261  0.329674  0.540612  1
  Nb  Nb60  1  0.281735  0.654928  0.566253  1
  Nb  Nb61  1  0.647594  0.996341  0.540612  1
  Nb  Nb62  1  0.615069  0.321595  0.566253  1
  Nb  Nb63  1  0.948402  0.988262  0.566253  1
  Nb  Nb64  1  0.797998  0.492301  0.553433  1
  Nb  Nb65  1  0.131332  0.158968  0.553433  1
  Nb  Nb66  1  0.196383  0.508460  0.502151  1
  Nb  Nb67  1  0.464665  0.825634  0.553433  1
  Nb  Nb68  1  0.529716  0.175127  0.502151  1
  Nb  Nb69  1  0.497190  0.500381  0.527792  1
  Nb  Nb70  1  0.863049  0.841793  0.502151  1
  Nb  Nb71  1  0.830524  0.167048  0.527792  1
  Nb  Nb72  1  0.163857  0.833714  0.527792  1
  Nb  Nb73  1  0.582543  0.646849  0.591895  1
  Nb  Nb74  1  0.915877  0.313516  0.591894  1
  Nb  Nb75  1  0.883351  0.638770  0.617536  1
  Nb  Nb76  1  0.249210  0.980183  0.591894  1
  Nb  Nb77  1  0.216684  0.305436  0.617535  1
  Nb  Nb78  1  0.184159  0.630690  0.643176  1
  Nb  Nb79  1  0.550018  0.972103  0.617535  1
  Nb  Nb80  1  0.517493  0.297357  0.643176  1
  Nb  Nb81  1  0.850826  0.964023  0.643176  1
  Nb  Nb82  1  0.700422  0.468063  0.630356  1
  Nb  Nb83  1  0.033755  0.134730  0.630356  1
  Nb  Nb84  1  0.098806  0.484222  0.579074  1
  Nb  Nb85  1  0.367089  0.801396  0.630356  1
  Nb  Nb86  1  0.432140  0.150889  0.579074  1
  Nb  Nb87  1  0.399614  0.476143  0.604715  1
  Nb  Nb88  1  0.765473  0.817555  0.579074  1
  Nb  Nb89  1  0.732947  0.142809  0.604715  1
  Nb  Nb90  1  0.066281  0.809476  0.604715  1
  Nb  Nb91  1  0.484967  0.622612  0.668818  1
  Nb  Nb92  1  0.818301  0.289278  0.668818  1
  Nb  Nb93  1  0.785775  0.614532  0.694459  1
  Nb  Nb94  1  0.151633  0.955945  0.668817  1
  Nb  Nb95  1  0.119108  0.281198  0.694459  1
  Nb  Nb96  1  0.086582  0.606451  0.720099  1
  Nb  Nb97  1  0.452442  0.947865  0.694458  1
  Nb  Nb98  1  0.419916  0.273118  0.720099  1
  Nb  Nb99  1  0.753250  0.939785  0.720099  1
  Nb  Nb100  1  0.602845  0.443825  0.707279  1
  Nb  Nb101  1  0.936179  0.110492  0.707279  1
  Nb  Nb102  1  0.001230  0.459984  0.655997  1
  Nb  Nb103  1  0.269512  0.777159  0.707279  1
  Nb  Nb104  1  0.334563  0.126650  0.655997  1
  Nb  Nb105  1  0.302037  0.451905  0.681638  1
  Nb  Nb106  1  0.667897  0.793317  0.655997  1
  Nb  Nb107  1  0.635371  0.118572  0.681638  1
  Nb  Nb108  1  0.968704  0.785239  0.681638  1
  Al  Al109  1  0.074729  0.727661  0.335277  1
  Al  Al110  1  0.407877  0.394270  0.335283  1
  Al  Al111  1  0.464707  0.741774  0.286331  1
  Al  Al112  1  0.741206  0.060936  0.335284  1
  Al  Al113  1  0.797499  0.408164  0.286340  1
  Al  Al114  1  0.776405  0.734873  0.308616  1
  Al  Al115  1  0.131426  0.075120  0.286336  1
  Al  Al116  1  0.110247  0.401120  0.308424  1
  Al  Al117  1  0.443498  0.067874  0.308390  1
  Al  Al118  1  0.932192  0.650368  0.316253  1
  Al  Al119  1  0.265525  0.317036  0.316254  1
  Al  Al120  1  0.233000  0.642289  0.341894  1
  Al  Al121  1  0.598858  0.983702  0.316254  1
  Al  Al122  1  0.566333  0.308956  0.341894  1
  Al  Al123  1  0.631385  0.658448  0.290612  1
  Al  Al124  1  0.899666  0.975622  0.341894  1
  Al  Al125  1  0.964718  0.325114  0.290612  1
  Al  Al126  1  0.298051  0.991780  0.290612  1
  Al  Al127  1  0.131384  0.658448  0.290612  1
  Al  Al128  1  0.464717  0.325115  0.290612  1
  Al  Al129  1  0.432192  0.650368  0.316253  1
  Al  Al130  1  0.798051  0.991781  0.290612  1
  Al  Al131  1  0.765525  0.317035  0.316253  1
  Al  Al132  1  0.733001  0.642290  0.341894  1
  Al  Al133  1  0.098858  0.983701  0.316253  1
  Al  Al134  1  0.066334  0.308956  0.341895  1
  Al  Al135  1  0.399667  0.975622  0.341895  1
  Al  Al136  1  0.891464  0.556773  0.348143  1
  Al  Al137  1  0.305450  0.249380  0.274744  1
  Al  Al138  1  0.294064  0.573347  0.295409  1
  Al  Al139  1  0.638787  0.916047  0.274745  1
  Al  Al140  1  0.627253  0.239958  0.295200  1
  Al  Al141  1  0.591361  0.565118  0.322307  1
  Al  Al142  1  0.960587  0.906613  0.295201  1
  Al  Al143  1  0.924493  0.231778  0.322335  1
  Al  Al144  1  0.257826  0.898444  0.322335  1
  Al  Al145  1  0.115122  0.821074  0.303433  1
  Al  Al146  1  0.448455  0.487741  0.303432  1
  Al  Al147  1  0.415929  0.812995  0.329074  1
  Al  Al148  1  0.781788  0.154407  0.303433  1
  Al  Al149  1  0.749263  0.479662  0.329074  1
  Al  Al150  1  0.814314  0.829155  0.277792  1
  Al  Al151  1  0.082596  0.146328  0.329074  1
  Al  Al152  1  0.147647  0.495821  0.277792  1
  Al  Al153  1  0.480980  0.162488  0.277792  1
  Al  Al154  1  0.915929  0.812996  0.329074  1
  Al  Al155  1  0.249263  0.479662  0.329074  1
  Al  Al156  1  0.314314  0.829155  0.277792  1
  Al  Al157  1  0.582596  0.146329  0.329074  1
  Al  Al158  1  0.647647  0.495822  0.277792  1
  Al  Al159  1  0.615121  0.821074  0.303433  1
  Al  Al160  1  0.980980  0.162488  0.277792  1
  Al  Al161  1  0.948455  0.487742  0.303433  1
  Al  Al162  1  0.281788  0.154408  0.303433  1
  Al  Al163  1  0.976922  0.703400  0.412416  1
  Al  Al164  1  0.310260  0.370066  0.412419  1
  Al  Al165  1  0.375171  0.719672  0.361120  1
  Al  Al166  1  0.643594  0.036732  0.412420  1
  Al  Al167  1  0.708492  0.386339  0.361123  1
  Al  Al168  1  0.676088  0.711503  0.386679  1
  Al  Al169  1  0.041821  0.053005  0.361121  1
  Al  Al170  1  0.009428  0.378173  0.386675  1
  Al  Al171  1  0.342762  0.044839  0.386674  1
  Al  Al172  1  0.834616  0.626130  0.393176  1
  Al  Al173  1  0.167949  0.292797  0.393176  1
  Al  Al174  1  0.135423  0.618051  0.418817  1
  Al  Al175  1  0.501282  0.959463  0.393176  1
  Al  Al176  1  0.468757  0.284718  0.418817  1
  Al  Al177  1  0.533808  0.634210  0.367536  1
  Al  Al178  1  0.802090  0.951384  0.418817  1
  Al  Al179  1  0.867141  0.300877  0.367536  1
  Al  Al180  1  0.200474  0.967543  0.367536  1
  Al  Al181  1  0.033808  0.634210  0.367535  1
  Al  Al182  1  0.367141  0.300877  0.367535  1
  Al  Al183  1  0.334616  0.626130  0.393176  1
  Al  Al184  1  0.700474  0.967543  0.367535  1
  Al  Al185  1  0.667949  0.292797  0.393176  1
  Al  Al186  1  0.635424  0.618052  0.418817  1
  Al  Al187  1  0.001282  0.959463  0.393176  1
  Al  Al188  1  0.968757  0.284718  0.418817  1
  Al  Al189  1  0.302090  0.951384  0.418817  1
  Al  Al190  1  0.793969  0.532696  0.425230  1
  Al  Al191  1  0.224870  0.223447  0.348281  1
  Al  Al192  1  0.192302  0.548903  0.373789  1
  Al  Al193  1  0.558204  0.890113  0.348281  1
  Al  Al194  1  0.525724  0.215559  0.373826  1
  Al  Al195  1  0.493190  0.540772  0.399598  1
  Al  Al196  1  0.859057  0.882225  0.373826  1
  Al  Al197  1  0.826537  0.207438  0.399602  1
  Al  Al198  1  0.159871  0.874104  0.399602  1
  Al  Al199  1  0.017545  0.796837  0.380356  1
  Al  Al200  1  0.350879  0.463504  0.380356  1
  Al  Al201  1  0.318353  0.788757  0.405997  1
  Al  Al202  1  0.684212  0.130170  0.380356  1
  Al  Al203  1  0.651686  0.455424  0.405997  1
  Al  Al204  1  0.716737  0.804916  0.354715  1
  Al  Al205  1  0.985019  0.122091  0.405997  1
  Al  Al206  1  0.050071  0.471583  0.354715  1
  Al  Al207  1  0.383404  0.138249  0.354715  1
  Al  Al208  1  0.818353  0.788757  0.405997  1
  Al  Al209  1  0.151686  0.455425  0.405997  1
  Al  Al210  1  0.216738  0.804916  0.354715  1
  Al  Al211  1  0.485020  0.122091  0.405997  1
  Al  Al212  1  0.550070  0.471583  0.354715  1
  Al  Al213  1  0.517545  0.796836  0.380356  1
  Al  Al214  1  0.883404  0.138249  0.354715  1
  Al  Al215  1  0.850878  0.463504  0.380356  1
  Al  Al216  1  0.184212  0.130170  0.380356  1
  Al  Al217  1  0.879317  0.679164  0.489334  1
  Al  Al218  1  0.212650  0.345830  0.489334  1
  Al  Al219  1  0.277699  0.695322  0.438054  1
  Al  Al220  1  0.545984  0.012497  0.489334  1
  Al  Al221  1  0.611032  0.361988  0.438054  1
  Al  Al222  1  0.578509  0.687244  0.463689  1
  Al  Al223  1  0.944366  0.028655  0.438054  1
  Al  Al224  1  0.911843  0.353911  0.463689  1
  Al  Al225  1  0.245176  0.020578  0.463688  1
  Al  Al226  1  0.737039  0.601892  0.470099  1
  Al  Al227  1  0.070373  0.268559  0.470099  1
  Al  Al228  1  0.037847  0.593813  0.495741  1
  Al  Al229  1  0.403706  0.935225  0.470100  1
  Al  Al230  1  0.371180  0.260480  0.495741  1
  Al  Al231  1  0.436231  0.609972  0.444458  1
  Al  Al232  1  0.704514  0.927146  0.495741  1
  Al  Al233  1  0.769565  0.276639  0.444458  1
  Al  Al234  1  0.102898  0.943305  0.444459  1
  Al  Al235  1  0.936231  0.609972  0.444458  1
  Al  Al236  1  0.269565  0.276639  0.444458  1
  Al  Al237  1  0.237039  0.601893  0.470100  1
  Al  Al238  1  0.602898  0.943305  0.444459  1
  Al  Al239  1  0.570373  0.268559  0.470100  1
  Al  Al240  1  0.537847  0.593813  0.495741  1
  Al  Al241  1  0.903706  0.935225  0.470100  1
  Al  Al242  1  0.871181  0.260480  0.495741  1
  Al  Al243  1  0.204514  0.927146  0.495741  1
  Al  Al244  1  0.696382  0.508458  0.502152  1
  Al  Al245  1  0.127295  0.199361  0.425235  1
  Al  Al246  1  0.094778  0.524617  0.450869  1
  Al  Al247  1  0.460628  0.866027  0.425235  1
  Al  Al248  1  0.428105  0.191285  0.450866  1
  Al  Al249  1  0.395580  0.516537  0.476514  1
  Al  Al250  1  0.761439  0.857951  0.450866  1
  Al  Al251  1  0.728913  0.183203  0.476514  1
  Al  Al252  1  0.062247  0.849870  0.476514  1
  Al  Al253  1  0.919969  0.772598  0.457279  1
  Al  Al254  1  0.253302  0.439266  0.457279  1
  Al  Al255  1  0.220777  0.764519  0.482920  1
  Al  Al256  1  0.586635  0.105932  0.457279  1
  Al  Al257  1  0.554110  0.431186  0.482920  1
  Al  Al258  1  0.619161  0.780678  0.431638  1
  Al  Al259  1  0.887443  0.097853  0.482920  1
  Al  Al260  1  0.952494  0.447345  0.431638  1
  Al  Al261  1  0.285827  0.114011  0.431638  1
  Al  Al262  1  0.720777  0.764519  0.482920  1
  Al  Al263  1  0.054110  0.431186  0.482920  1
  Al  Al264  1  0.119161  0.780678  0.431638  1
  Al  Al265  1  0.387443  0.097853  0.482920  1
  Al  Al266  1  0.452494  0.447345  0.431638  1
  Al  Al267  1  0.419969  0.772598  0.457279  1
  Al  Al268  1  0.785827  0.114011  0.431638  1
  Al  Al269  1  0.753302  0.439266  0.457279  1
  Al  Al270  1  0.086635  0.105932  0.457279  1
  Al  Al271  1  0.781732  0.654928  0.566252  1
  Al  Al272  1  0.115065  0.321594  0.566252  1
  Al  Al273  1  0.180118  0.671086  0.514972  1
  Al  Al274  1  0.448399  0.988261  0.566252  1
  Al  Al275  1  0.513451  0.337752  0.514971  1
  Al  Al276  1  0.480924  0.663005  0.540616  1
  Al  Al277  1  0.846785  0.004419  0.514971  1
  Al  Al278  1  0.814257  0.329672  0.540616  1
  Al  Al279  1  0.147591  0.996338  0.540616  1
  Al  Al280  1  0.639463  0.577654  0.547023  1
  Al  Al281  1  0.972796  0.244321  0.547023  1
  Al  Al282  1  0.940270  0.569575  0.572664  1
  Al  Al283  1  0.306130  0.910988  0.547023  1
  Al  Al284  1  0.273604  0.236242  0.572664  1
  Al  Al285  1  0.338655  0.585734  0.521382  1
  Al  Al286  1  0.606937  0.902908  0.572664  1
  Al  Al287  1  0.671988  0.252401  0.521382  1
  Al  Al288  1  0.005322  0.919067  0.521382  1
  Al  Al289  1  0.838655  0.585734  0.521382  1
  Al  Al290  1  0.171988  0.252401  0.521382  1
  Al  Al291  1  0.139463  0.577654  0.547023  1
  Al  Al292  1  0.505322  0.919067  0.521382  1
  Al  Al293  1  0.472796  0.244321  0.547023  1
  Al  Al294  1  0.440271  0.569575  0.572664  1
  Al  Al295  1  0.806130  0.910987  0.547023  1
  Al  Al296  1  0.773604  0.236242  0.572664  1
  Al  Al297  1  0.106938  0.902908  0.572664  1
  Al  Al298  1  0.598806  0.484221  0.579071  1
  Al  Al299  1  0.029715  0.175125  0.502152  1
  Al  Al300  1  0.997188  0.500379  0.527794  1
  Al  Al301  1  0.363048  0.841792  0.502152  1
  Al  Al302  1  0.330521  0.167045  0.527794  1
  Al  Al303  1  0.298000  0.492299  0.553436  1
  Al  Al304  1  0.663854  0.833712  0.527794  1
  Al  Al305  1  0.631327  0.158966  0.553434  1
  Al  Al306  1  0.964660  0.825633  0.553434  1
  Al  Al307  1  0.822392  0.748360  0.534202  1
  Al  Al308  1  0.155726  0.415028  0.534202  1
  Al  Al309  1  0.123200  0.740281  0.559843  1
  Al  Al310  1  0.489059  0.081694  0.534202  1
  Al  Al311  1  0.456533  0.406948  0.559843  1
  Al  Al312  1  0.521584  0.756440  0.508561  1
  Al  Al313  1  0.789867  0.073615  0.559843  1
  Al  Al314  1  0.854918  0.423107  0.508561  1
  Al  Al315  1  0.188251  0.089774  0.508561  1
  Al  Al316  1  0.623200  0.740281  0.559843  1
  Al  Al317  1  0.956534  0.406948  0.559843  1
  Al  Al318  1  0.021585  0.756440  0.508561  1
  Al  Al319  1  0.289867  0.073615  0.559843  1
  Al  Al320  1  0.354918  0.423107  0.508561  1
  Al  Al321  1  0.322392  0.748360  0.534202  1
  Al  Al322  1  0.688251  0.089774  0.508561  1
  Al  Al323  1  0.655726  0.415028  0.534202  1
  Al  Al324  1  0.989059  0.081694  0.534202  1
  Al  Al325  1  0.684173  0.630707  0.643278  1
  Al  Al326  1  0.017522  0.297372  0.643273  1
  Al  Al327  1  0.082505  0.646851  0.591886  1
  Al  Al328  1  0.350839  0.964039  0.643275  1
  Al  Al329  1  0.415833  0.313518  0.591883  1
  Al  Al330  1  0.383362  0.638743  0.617640  1
  Al  Al331  1  0.749173  0.980184  0.591887  1
  Al  Al332  1  0.716689  0.305407  0.617645  1
  Al  Al333  1  0.050030  0.972076  0.617639  1
  Al  Al334  1  0.541887  0.553416  0.623946  1
  Al  Al335  1  0.875220  0.220083  0.623946  1
  Al  Al336  1  0.842694  0.545337  0.649587  1
  Al  Al337  1  0.208554  0.886750  0.623946  1
  Al  Al338  1  0.176028  0.212004  0.649587  1
  Al  Al339  1  0.241079  0.561496  0.598305  1
  Al  Al340  1  0.509361  0.878670  0.649587  1
  Al  Al341  1  0.574412  0.228163  0.598305  1
  Al  Al342  1  0.907745  0.894829  0.598305  1
  Al  Al343  1  0.741079  0.561496  0.598305  1
  Al  Al344  1  0.074412  0.228163  0.598305  1
  Al  Al345  1  0.041886  0.553416  0.623946  1
  Al  Al346  1  0.407745  0.894829  0.598305  1
  Al  Al347  1  0.375220  0.220083  0.623946  1
  Al  Al348  1  0.342695  0.545337  0.649587  1
  Al  Al349  1  0.708553  0.886750  0.623945  1
  Al  Al350  1  0.676028  0.212004  0.649587  1
  Al  Al351  1  0.009361  0.878670  0.649587  1
  Al  Al352  1  0.501183  0.460123  0.656069  1
  Al  Al353  1  0.932131  0.150886  0.579077  1
  Al  Al354  1  0.899647  0.476123  0.604773  1
  Al  Al355  1  0.265464  0.817553  0.579077  1
  Al  Al356  1  0.232990  0.142789  0.604774  1
  Al  Al357  1  0.200377  0.468039  0.630431  1
  Al  Al358  1  0.566323  0.809456  0.604774  1
  Al  Al359  1  0.533798  0.134693  0.630471  1
  Al  Al360  1  0.867132  0.801360  0.630471  1
  Al  Al361  1  0.724816  0.724123  0.611125  1
  Al  Al362  1  0.058150  0.390789  0.611125  1
  Al  Al363  1  0.025624  0.716043  0.636766  1
  Al  Al364  1  0.391483  0.057456  0.611125  1
  Al  Al365  1  0.358957  0.382710  0.636766  1
  Al  Al366  1  0.424008  0.732202  0.585484  1
  Al  Al367  1  0.692291  0.049377  0.636766  1
  Al  Al368  1  0.757341  0.398869  0.585484  1
  Al  Al369  1  0.090675  0.065536  0.585484  1
  Al  Al370  1  0.525624  0.716043  0.636766  1
  Al  Al371  1  0.858957  0.382710  0.636766  1
  Al  Al372  1  0.924008  0.732202  0.585484  1
  Al  Al373  1  0.192291  0.049377  0.636766  1
  Al  Al374  1  0.257342  0.398869  0.585484  1
  Al  Al375  1  0.224816  0.724123  0.611125  1
  Al  Al376  1  0.590675  0.065536  0.585484  1
  Al  Al377  1  0.558149  0.390790  0.611125  1
  Al  Al378  1  0.891482  0.057457  0.611125  1
  Al  Al379  1  0.592500  0.605549  0.717313  1
  Al  Al380  1  0.926310  0.272482  0.717268  1
  Al  Al381  1  0.984642  0.622359  0.669109  1
  Al  Al382  1  0.259687  0.939156  0.717271  1
  Al  Al383  1  0.318158  0.289085  0.669104  1
  Al  Al384  1  0.283779  0.615865  0.695914  1
  Al  Al385  1  0.651303  0.955691  0.669109  1
  Al  Al386  1  0.616583  0.282970  0.696118  1
  Al  Al387  1  0.950351  0.949292  0.695879  1
  Al  Al388  1  0.444311  0.529179  0.700869  1
  Al  Al389  1  0.777643  0.195844  0.700869  1
  Al  Al390  1  0.745117  0.521099  0.726510  1
  Al  Al391  1  0.110977  0.862511  0.700869  1
  Al  Al392  1  0.078451  0.187765  0.726510  1
  Al  Al393  1  0.143503  0.537258  0.675228  1
  Al  Al394  1  0.411784  0.854432  0.726509  1
  Al  Al395  1  0.476836  0.203925  0.675228  1
  Al  Al396  1  0.810169  0.870591  0.675228  1
  Al  Al397  1  0.643503  0.537257  0.675228  1
  Al  Al398  1  0.976836  0.203924  0.675228  1
  Al  Al399  1  0.944310  0.529179  0.700869  1
  Al  Al400  1  0.310170  0.870591  0.675228  1
  Al  Al401  1  0.277643  0.195846  0.700869  1
  Al  Al402  1  0.245118  0.521099  0.726510  1
  Al  Al403  1  0.610977  0.862512  0.700869  1
  Al  Al404  1  0.578452  0.187766  0.726510  1
  Al  Al405  1  0.911785  0.854432  0.726510  1
  Al  Al406  1  0.421764  0.434163  0.729628  1
  Al  Al407  1  0.834594  0.126791  0.656215  1
  Al  Al408  1  0.801031  0.451743  0.682040  1
  Al  Al409  1  0.167928  0.793458  0.656215  1
  Al  Al410  1  0.134142  0.118402  0.682070  1
  Al  Al411  1  0.105283  0.444632  0.705976  1
  Al  Al412  1  0.467475  0.785069  0.682070  1
  Al  Al413  1  0.438477  0.111249  0.705831  1
  Al  Al414  1  0.771813  0.777925  0.705831  1
  Al  Al415  1  0.627240  0.699885  0.688048  1
  Al  Al416  1  0.960573  0.366551  0.688048  1
  Al  Al417  1  0.928048  0.691805  0.713689  1
  Al  Al418  1  0.293906  0.033218  0.688048  1
  Al  Al419  1  0.261381  0.358471  0.713689  1
  Al  Al420  1  0.326431  0.707964  0.662407  1
  Al  Al421  1  0.594715  0.025138  0.713689  1
  Al  Al422  1  0.659765  0.374631  0.662407  1
  Al  Al423  1  0.993098  0.041298  0.662407  1
  Al  Al424  1  0.428047  0.691805  0.713689  1
  Al  Al425  1  0.761381  0.358472  0.713689  1
  Al  Al426  1  0.826432  0.707964  0.662407  1
  Al  Al427  1  0.094714  0.025139  0.713689  1
  Al  Al428  1  0.159765  0.374631  0.662407  1
  Al  Al429  1  0.127239  0.699886  0.688049  1
  Al  Al430  1  0.493099  0.041298  0.662407  1
  Al  Al431  1  0.460573  0.366551  0.688048  1
  Al  Al432  1  0.793906  0.033219  0.688048  1
