# generated using pymatgen
data_NbAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.99678316
_cell_length_b   19.41682676
_cell_length_c   46.10276126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.46804982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl3
_chemical_formula_sum   'Nb168 Al504'
_cell_volume   22421.6767312
_cell_formula_units_Z   168
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  0.588513  0.202840  0.331892  1
  Nb  Nb2  1  0.255180  0.202840  0.331892  1
  Nb  Nb3  1  0.445081  0.254556  0.300784  1
  Nb  Nb4  1  0.921846  0.202840  0.331892  1
  Nb  Nb5  1  0.111747  0.254556  0.300784  1
  Nb  Nb6  1  0.421846  0.702840  0.331892  1
  Nb  Nb7  1  0.611747  0.754556  0.300784  1
  Nb  Nb8  1  0.778414  0.254556  0.300784  1
  Nb  Nb9  1  0.088513  0.702840  0.331892  1
  Nb  Nb10  1  0.278414  0.754556  0.300784  1
  Nb  Nb11  1  0.755180  0.702840  0.331892  1
  Nb  Nb12  1  0.945081  0.754556  0.300784  1
  Nb  Nb13  1  0.671846  0.952840  0.331892  1
  Nb  Nb14  1  0.338513  0.952840  0.331892  1
  Nb  Nb15  1  0.528414  0.004556  0.300784  1
  Nb  Nb16  1  0.005180  0.952840  0.331892  1
  Nb  Nb17  1  0.195081  0.004556  0.300784  1
  Nb  Nb18  1  0.505180  0.452840  0.331892  1
  Nb  Nb19  1  0.695081  0.504556  0.300784  1
  Nb  Nb20  1  0.861747  0.004556  0.300784  1
  Nb  Nb21  1  0.171846  0.452840  0.331892  1
  Nb  Nb22  1  0.361747  0.504556  0.300784  1
  Nb  Nb23  1  0.838513  0.452840  0.331892  1
  Nb  Nb24  1  0.028414  0.504556  0.300784  1
  Nb  Nb25  1  0.542444  0.099851  0.394392  1
  Nb  Nb26  1  0.209111  0.099851  0.394392  1
  Nb  Nb27  1  0.399012  0.151566  0.363284  1
  Nb  Nb28  1  0.875778  0.099851  0.394392  1
  Nb  Nb29  1  0.065679  0.151566  0.363284  1
  Nb  Nb30  1  0.375778  0.599851  0.394392  1
  Nb  Nb31  1  0.565679  0.651566  0.363284  1
  Nb  Nb32  1  0.732345  0.151566  0.363284  1
  Nb  Nb33  1  0.042444  0.599851  0.394392  1
  Nb  Nb34  1  0.232345  0.651566  0.363284  1
  Nb  Nb35  1  0.709111  0.599851  0.394392  1
  Nb  Nb36  1  0.899012  0.651566  0.363284  1
  Nb  Nb37  1  0.625778  0.849851  0.394392  1
  Nb  Nb38  1  0.292444  0.849851  0.394392  1
  Nb  Nb39  1  0.482345  0.901566  0.363284  1
  Nb  Nb40  1  0.959111  0.849851  0.394392  1
  Nb  Nb41  1  0.149012  0.901566  0.363284  1
  Nb  Nb42  1  0.459111  0.349851  0.394392  1
  Nb  Nb43  1  0.649012  0.401566  0.363284  1
  Nb  Nb44  1  0.815679  0.901566  0.363284  1
  Nb  Nb45  1  0.125778  0.349851  0.394392  1
  Nb  Nb46  1  0.315679  0.401566  0.363284  1
  Nb  Nb47  1  0.792444  0.349851  0.394392  1
  Nb  Nb48  1  0.982345  0.401566  0.363284  1
  Nb  Nb49  1  0.496376  0.996862  0.456892  1
  Nb  Nb50  1  0.163043  0.996862  0.456892  1
  Nb  Nb51  1  0.352944  0.048577  0.425784  1
  Nb  Nb52  1  0.829709  0.996862  0.456892  1
  Nb  Nb53  1  0.019610  0.048577  0.425784  1
  Nb  Nb54  1  0.329709  0.496862  0.456892  1
  Nb  Nb55  1  0.519610  0.548577  0.425784  1
  Nb  Nb56  1  0.686277  0.048577  0.425784  1
  Nb  Nb57  1  0.996376  0.496862  0.456892  1
  Nb  Nb58  1  0.186277  0.548577  0.425784  1
  Nb  Nb59  1  0.663043  0.496862  0.456892  1
  Nb  Nb60  1  0.852944  0.548577  0.425784  1
  Nb  Nb61  1  0.579709  0.746862  0.456892  1
  Nb  Nb62  1  0.246376  0.746862  0.456892  1
  Nb  Nb63  1  0.436277  0.798577  0.425784  1
  Nb  Nb64  1  0.913043  0.746862  0.456892  1
  Nb  Nb65  1  0.102944  0.798577  0.425784  1
  Nb  Nb66  1  0.413043  0.246862  0.456892  1
  Nb  Nb67  1  0.602944  0.298577  0.425784  1
  Nb  Nb68  1  0.769610  0.798577  0.425784  1
  Nb  Nb69  1  0.079709  0.246862  0.456892  1
  Nb  Nb70  1  0.269610  0.298577  0.425784  1
  Nb  Nb71  1  0.746376  0.246862  0.456892  1
  Nb  Nb72  1  0.936277  0.298577  0.425784  1
  Nb  Nb73  1  0.450308  0.893873  0.519392  1
  Nb  Nb74  1  0.116974  0.893873  0.519392  1
  Nb  Nb75  1  0.306875  0.945587  0.488284  1
  Nb  Nb76  1  0.783641  0.893873  0.519392  1
  Nb  Nb77  1  0.973542  0.945587  0.488284  1
  Nb  Nb78  1  0.283641  0.393873  0.519392  1
  Nb  Nb79  1  0.473542  0.445587  0.488284  1
  Nb  Nb80  1  0.640209  0.945587  0.488284  1
  Nb  Nb81  1  0.950308  0.393873  0.519392  1
  Nb  Nb82  1  0.140209  0.445587  0.488284  1
  Nb  Nb83  1  0.616974  0.393873  0.519392  1
  Nb  Nb84  1  0.806875  0.445587  0.488284  1
  Nb  Nb85  1  0.533641  0.643873  0.519392  1
  Nb  Nb86  1  0.200308  0.643873  0.519392  1
  Nb  Nb87  1  0.390209  0.695587  0.488284  1
  Nb  Nb88  1  0.866974  0.643873  0.519392  1
  Nb  Nb89  1  0.056875  0.695587  0.488284  1
  Nb  Nb90  1  0.366974  0.143873  0.519392  1
  Nb  Nb91  1  0.556875  0.195587  0.488284  1
  Nb  Nb92  1  0.723542  0.695587  0.488284  1
  Nb  Nb93  1  0.033641  0.143873  0.519392  1
  Nb  Nb94  1  0.223542  0.195587  0.488284  1
  Nb  Nb95  1  0.700308  0.143873  0.519392  1
  Nb  Nb96  1  0.890209  0.195587  0.488284  1
  Nb  Nb97  1  0.404239  0.790883  0.581892  1
  Nb  Nb98  1  0.070906  0.790883  0.581892  1
  Nb  Nb99  1  0.260807  0.842598  0.550784  1
  Nb  Nb100  1  0.737573  0.790883  0.581892  1
  Nb  Nb101  1  0.927473  0.842598  0.550784  1
  Nb  Nb102  1  0.237573  0.290883  0.581892  1
  Nb  Nb103  1  0.427473  0.342598  0.550784  1
  Nb  Nb104  1  0.594140  0.842598  0.550784  1
  Nb  Nb105  1  0.904239  0.290883  0.581892  1
  Nb  Nb106  1  0.094140  0.342598  0.550784  1
  Nb  Nb107  1  0.570906  0.290883  0.581892  1
  Nb  Nb108  1  0.760807  0.342598  0.550784  1
  Nb  Nb109  1  0.487573  0.540883  0.581892  1
  Nb  Nb110  1  0.154239  0.540883  0.581892  1
  Nb  Nb111  1  0.344140  0.592598  0.550784  1
  Nb  Nb112  1  0.820906  0.540883  0.581892  1
  Nb  Nb113  1  0.010807  0.592598  0.550784  1
  Nb  Nb114  1  0.320906  0.040883  0.581892  1
  Nb  Nb115  1  0.510807  0.092598  0.550784  1
  Nb  Nb116  1  0.677473  0.592598  0.550784  1
  Nb  Nb117  1  0.987573  0.040883  0.581892  1
  Nb  Nb118  1  0.177473  0.092598  0.550784  1
  Nb  Nb119  1  0.654239  0.040883  0.581892  1
  Nb  Nb120  1  0.844140  0.092598  0.550784  1
  Nb  Nb121  1  0.358171  0.687894  0.644392  1
  Nb  Nb122  1  0.024837  0.687894  0.644392  1
  Nb  Nb123  1  0.214739  0.739609  0.613284  1
  Nb  Nb124  1  0.691504  0.687894  0.644392  1
  Nb  Nb125  1  0.881405  0.739609  0.613284  1
  Nb  Nb126  1  0.191504  0.187894  0.644392  1
  Nb  Nb127  1  0.381405  0.239609  0.613284  1
  Nb  Nb128  1  0.548072  0.739609  0.613284  1
  Nb  Nb129  1  0.858171  0.187894  0.644392  1
  Nb  Nb130  1  0.048072  0.239609  0.613284  1
  Nb  Nb131  1  0.524837  0.187894  0.644392  1
  Nb  Nb132  1  0.714739  0.239609  0.613284  1
  Nb  Nb133  1  0.441504  0.437894  0.644392  1
  Nb  Nb134  1  0.108171  0.437894  0.644392  1
  Nb  Nb135  1  0.298072  0.489609  0.613284  1
  Nb  Nb136  1  0.774837  0.437894  0.644392  1
  Nb  Nb137  1  0.964739  0.489609  0.613284  1
  Nb  Nb138  1  0.274837  0.937894  0.644392  1
  Nb  Nb139  1  0.464739  0.989609  0.613284  1
  Nb  Nb140  1  0.631405  0.489609  0.613284  1
  Nb  Nb141  1  0.941504  0.937894  0.644392  1
  Nb  Nb142  1  0.131405  0.989609  0.613284  1
  Nb  Nb143  1  0.608171  0.937894  0.644392  1
  Nb  Nb144  1  0.798072  0.989609  0.613284  1
  Nb  Nb145  1  0.312103  0.584905  0.706891  1
  Nb  Nb146  1  0.978769  0.584905  0.706891  1
  Nb  Nb147  1  0.168670  0.636619  0.675784  1
  Nb  Nb148  1  0.645436  0.584905  0.706891  1
  Nb  Nb149  1  0.835337  0.636619  0.675784  1
  Nb  Nb150  1  0.145436  0.084905  0.706891  1
  Nb  Nb151  1  0.335337  0.136619  0.675784  1
  Nb  Nb152  1  0.502004  0.636619  0.675784  1
  Nb  Nb153  1  0.812103  0.084905  0.706891  1
  Nb  Nb154  1  0.002004  0.136619  0.675784  1
  Nb  Nb155  1  0.478769  0.084905  0.706891  1
  Nb  Nb156  1  0.668670  0.136619  0.675784  1
  Nb  Nb157  1  0.395436  0.334905  0.706891  1
  Nb  Nb158  1  0.062103  0.334905  0.706891  1
  Nb  Nb159  1  0.252004  0.386619  0.675784  1
  Nb  Nb160  1  0.728769  0.334905  0.706891  1
  Nb  Nb161  1  0.918670  0.386619  0.675784  1
  Nb  Nb162  1  0.228769  0.834905  0.706891  1
  Nb  Nb163  1  0.418670  0.886619  0.675784  1
  Nb  Nb164  1  0.585337  0.386619  0.675784  1
  Nb  Nb165  1  0.895436  0.834905  0.706891  1
  Nb  Nb166  1  0.085337  0.886619  0.675784  1
  Nb  Nb167  1  0.562103  0.834905  0.706891  1
  Nb  Nb168  1  0.752004  0.886619  0.675784  1
  Al  Al169  1  0.683185  0.228445  0.316168  1
  Al  Al170  1  0.349852  0.228445  0.316168  1
  Al  Al171  1  0.539319  0.275959  0.289099  1
  Al  Al172  1  0.016519  0.228445  0.316168  1
  Al  Al173  1  0.205985  0.275959  0.289099  1
  Al  Al174  1  0.516519  0.728445  0.316168  1
  Al  Al175  1  0.705985  0.775959  0.289099  1
  Al  Al176  1  0.872652  0.275959  0.289099  1
  Al  Al177  1  0.183185  0.728445  0.316168  1
  Al  Al178  1  0.372652  0.775959  0.289099  1
  Al  Al179  1  0.849852  0.728445  0.316168  1
  Al  Al180  1  0.039319  0.775959  0.289099  1
  Al  Al181  1  0.582954  0.065187  0.339847  1
  Al  Al182  1  0.249621  0.065187  0.339847  1
  Al  Al183  1  0.439122  0.116462  0.308454  1
  Al  Al184  1  0.916288  0.065187  0.339847  1
  Al  Al185  1  0.105789  0.116462  0.308454  1
  Al  Al186  1  0.416288  0.565187  0.339847  1
  Al  Al187  1  0.605789  0.616462  0.308454  1
  Al  Al188  1  0.772455  0.116462  0.308454  1
  Al  Al189  1  0.082954  0.565187  0.339847  1
  Al  Al190  1  0.272455  0.616462  0.308454  1
  Al  Al191  1  0.749621  0.565187  0.339847  1
  Al  Al192  1  0.939122  0.616462  0.308454  1
  Al  Al193  1  0.677805  0.090935  0.324222  1
  Al  Al194  1  0.344472  0.090935  0.324222  1
  Al  Al195  1  0.533971  0.142207  0.292829  1
  Al  Al196  1  0.011138  0.090935  0.324222  1
  Al  Al197  1  0.200638  0.142207  0.292829  1
  Al  Al198  1  0.511138  0.590935  0.324222  1
  Al  Al199  1  0.700638  0.642207  0.292829  1
  Al  Al200  1  0.867305  0.142207  0.292829  1
  Al  Al201  1  0.177805  0.590935  0.324222  1
  Al  Al202  1  0.367305  0.642207  0.292829  1
  Al  Al203  1  0.844472  0.590935  0.324222  1
  Al  Al204  1  0.033971  0.642207  0.292829  1
  Al  Al205  1  0.622652  0.025959  0.289099  1
  Al  Al206  1  0.289319  0.025959  0.289099  1
  Al  Al207  1  0.433185  0.978445  0.316168  1
  Al  Al208  1  0.955985  0.025959  0.289099  1
  Al  Al209  1  0.099852  0.978445  0.316168  1
  Al  Al210  1  0.455985  0.525959  0.289099  1
  Al  Al211  1  0.599852  0.478445  0.316168  1
  Al  Al212  1  0.766519  0.978445  0.316168  1
  Al  Al213  1  0.122652  0.525959  0.289099  1
  Al  Al214  1  0.266519  0.478445  0.316168  1
  Al  Al215  1  0.789319  0.525959  0.289099  1
  Al  Al216  1  0.933185  0.478445  0.316168  1
  Al  Al217  1  0.689122  0.366462  0.308454  1
  Al  Al218  1  0.355789  0.366462  0.308454  1
  Al  Al219  1  0.499621  0.315187  0.339847  1
  Al  Al220  1  0.022455  0.366462  0.308454  1
  Al  Al221  1  0.166288  0.315187  0.339847  1
  Al  Al222  1  0.522455  0.866462  0.308454  1
  Al  Al223  1  0.666288  0.815187  0.339847  1
  Al  Al224  1  0.832954  0.315187  0.339847  1
  Al  Al225  1  0.189122  0.866462  0.308454  1
  Al  Al226  1  0.332954  0.815187  0.339847  1
  Al  Al227  1  0.855789  0.866462  0.308454  1
  Al  Al228  1  0.999621  0.815187  0.339847  1
  Al  Al229  1  0.594472  0.340935  0.324222  1
  Al  Al230  1  0.261138  0.340935  0.324222  1
  Al  Al231  1  0.450638  0.392207  0.292829  1
  Al  Al232  1  0.927805  0.340935  0.324222  1
  Al  Al233  1  0.117305  0.392207  0.292829  1
  Al  Al234  1  0.427805  0.840935  0.324222  1
  Al  Al235  1  0.617305  0.892207  0.292829  1
  Al  Al236  1  0.783971  0.392207  0.292829  1
  Al  Al237  1  0.094472  0.840935  0.324222  1
  Al  Al238  1  0.283971  0.892207  0.292829  1
  Al  Al239  1  0.761138  0.840935  0.324222  1
  Al  Al240  1  0.950638  0.892207  0.292829  1
  Al  Al241  1  0.637422  0.125738  0.378735  1
  Al  Al242  1  0.304089  0.125738  0.378735  1
  Al  Al243  1  0.493591  0.177208  0.347481  1
  Al  Al244  1  0.970756  0.125738  0.378735  1
  Al  Al245  1  0.160258  0.177208  0.347481  1
  Al  Al246  1  0.470756  0.625738  0.378735  1
  Al  Al247  1  0.660258  0.677208  0.347481  1
  Al  Al248  1  0.826925  0.177208  0.347481  1
  Al  Al249  1  0.137422  0.625738  0.378735  1
  Al  Al250  1  0.326925  0.677208  0.347481  1
  Al  Al251  1  0.804089  0.625738  0.378735  1
  Al  Al252  1  0.993591  0.677208  0.347481  1
  Al  Al253  1  0.536886  0.962198  0.402347  1
  Al  Al254  1  0.203553  0.962198  0.402347  1
  Al  Al255  1  0.393054  0.013472  0.370954  1
  Al  Al256  1  0.870220  0.962198  0.402347  1
  Al  Al257  1  0.059720  0.013472  0.370954  1
  Al  Al258  1  0.370220  0.462198  0.402347  1
  Al  Al259  1  0.559720  0.513472  0.370954  1
  Al  Al260  1  0.726387  0.013472  0.370954  1
  Al  Al261  1  0.036886  0.462198  0.402347  1
  Al  Al262  1  0.226387  0.513472  0.370954  1
  Al  Al263  1  0.703553  0.462198  0.402347  1
  Al  Al264  1  0.893054  0.513472  0.370954  1
  Al  Al265  1  0.631736  0.987945  0.386722  1
  Al  Al266  1  0.298403  0.987945  0.386722  1
  Al  Al267  1  0.487904  0.039219  0.355329  1
  Al  Al268  1  0.965070  0.987945  0.386722  1
  Al  Al269  1  0.154570  0.039219  0.355329  1
  Al  Al270  1  0.465070  0.487945  0.386722  1
  Al  Al271  1  0.654570  0.539219  0.355329  1
  Al  Al272  1  0.821237  0.039219  0.355329  1
  Al  Al273  1  0.131736  0.487945  0.386722  1
  Al  Al274  1  0.321237  0.539219  0.355329  1
  Al  Al275  1  0.798403  0.487945  0.386722  1
  Al  Al276  1  0.987904  0.539219  0.355329  1
  Al  Al277  1  0.576925  0.927208  0.347481  1
  Al  Al278  1  0.243591  0.927208  0.347481  1
  Al  Al279  1  0.387422  0.875738  0.378735  1
  Al  Al280  1  0.910258  0.927208  0.347481  1
  Al  Al281  1  0.054089  0.875738  0.378735  1
  Al  Al282  1  0.410258  0.427208  0.347481  1
  Al  Al283  1  0.554089  0.375738  0.378735  1
  Al  Al284  1  0.720756  0.875738  0.378735  1
  Al  Al285  1  0.076925  0.427208  0.347481  1
  Al  Al286  1  0.220756  0.375738  0.378735  1
  Al  Al287  1  0.743591  0.427208  0.347481  1
  Al  Al288  1  0.887422  0.375738  0.378735  1
  Al  Al289  1  0.643054  0.263472  0.370954  1
  Al  Al290  1  0.309720  0.263472  0.370954  1
  Al  Al291  1  0.453553  0.212198  0.402347  1
  Al  Al292  1  0.976387  0.263472  0.370954  1
  Al  Al293  1  0.120220  0.212198  0.402347  1
  Al  Al294  1  0.476387  0.763472  0.370954  1
  Al  Al295  1  0.620220  0.712198  0.402347  1
  Al  Al296  1  0.786886  0.212198  0.402347  1
  Al  Al297  1  0.143054  0.763472  0.370954  1
  Al  Al298  1  0.286886  0.712198  0.402347  1
  Al  Al299  1  0.809720  0.763472  0.370954  1
  Al  Al300  1  0.953553  0.712198  0.402347  1
  Al  Al301  1  0.548403  0.237945  0.386722  1
  Al  Al302  1  0.215070  0.237945  0.386722  1
  Al  Al303  1  0.404570  0.289219  0.355329  1
  Al  Al304  1  0.881736  0.237945  0.386722  1
  Al  Al305  1  0.071237  0.289219  0.355329  1
  Al  Al306  1  0.381736  0.737945  0.386722  1
  Al  Al307  1  0.571237  0.789219  0.355329  1
  Al  Al308  1  0.737904  0.289219  0.355329  1
  Al  Al309  1  0.048403  0.737945  0.386722  1
  Al  Al310  1  0.237904  0.789219  0.355329  1
  Al  Al311  1  0.715070  0.737945  0.386722  1
  Al  Al312  1  0.904570  0.789219  0.355329  1
  Al  Al313  1  0.591330  0.022720  0.441338  1
  Al  Al314  1  0.257997  0.022720  0.441338  1
  Al  Al315  1  0.447693  0.074212  0.410087  1
  Al  Al316  1  0.924663  0.022720  0.441338  1
  Al  Al317  1  0.114360  0.074212  0.410087  1
  Al  Al318  1  0.424663  0.522720  0.441338  1
  Al  Al319  1  0.614360  0.574212  0.410087  1
  Al  Al320  1  0.781027  0.074212  0.410087  1
  Al  Al321  1  0.091330  0.522720  0.441338  1
  Al  Al322  1  0.281027  0.574212  0.410087  1
  Al  Al323  1  0.757997  0.522720  0.441338  1
  Al  Al324  1  0.947693  0.574212  0.410087  1
  Al  Al325  1  0.490818  0.859208  0.464847  1
  Al  Al326  1  0.157485  0.859208  0.464847  1
  Al  Al327  1  0.346985  0.910483  0.433454  1
  Al  Al328  1  0.824151  0.859208  0.464847  1
  Al  Al329  1  0.013652  0.910483  0.433454  1
  Al  Al330  1  0.324151  0.359208  0.464847  1
  Al  Al331  1  0.513652  0.410483  0.433454  1
  Al  Al332  1  0.680318  0.910483  0.433454  1
  Al  Al333  1  0.990818  0.359208  0.464847  1
  Al  Al334  1  0.180318  0.410483  0.433454  1
  Al  Al335  1  0.657485  0.359208  0.464847  1
  Al  Al336  1  0.846985  0.410483  0.433454  1
  Al  Al337  1  0.585668  0.884955  0.449222  1
  Al  Al338  1  0.252335  0.884955  0.449222  1
  Al  Al339  1  0.441835  0.936230  0.417829  1
  Al  Al340  1  0.919001  0.884955  0.449222  1
  Al  Al341  1  0.108502  0.936230  0.417829  1
  Al  Al342  1  0.419001  0.384955  0.449222  1
  Al  Al343  1  0.608502  0.436230  0.417829  1
  Al  Al344  1  0.775169  0.936230  0.417829  1
  Al  Al345  1  0.085668  0.384955  0.449222  1
  Al  Al346  1  0.275169  0.436230  0.417829  1
  Al  Al347  1  0.752335  0.384955  0.449222  1
  Al  Al348  1  0.941835  0.436230  0.417829  1
  Al  Al349  1  0.531027  0.824212  0.410087  1
  Al  Al350  1  0.197693  0.824212  0.410087  1
  Al  Al351  1  0.341330  0.772720  0.441338  1
  Al  Al352  1  0.864360  0.824212  0.410087  1
  Al  Al353  1  0.007997  0.772720  0.441338  1
  Al  Al354  1  0.364360  0.324212  0.410087  1
  Al  Al355  1  0.507997  0.272720  0.441338  1
  Al  Al356  1  0.674663  0.772720  0.441338  1
  Al  Al357  1  0.031027  0.324212  0.410087  1
  Al  Al358  1  0.174663  0.272720  0.441338  1
  Al  Al359  1  0.697693  0.324212  0.410087  1
  Al  Al360  1  0.841330  0.272720  0.441338  1
  Al  Al361  1  0.596985  0.160483  0.433454  1
  Al  Al362  1  0.263652  0.160483  0.433454  1
  Al  Al363  1  0.407485  0.109208  0.464847  1
  Al  Al364  1  0.930318  0.160483  0.433454  1
  Al  Al365  1  0.074151  0.109208  0.464847  1
  Al  Al366  1  0.430318  0.660483  0.433454  1
  Al  Al367  1  0.574151  0.609208  0.464847  1
  Al  Al368  1  0.740818  0.109208  0.464847  1
  Al  Al369  1  0.096985  0.660483  0.433454  1
  Al  Al370  1  0.240818  0.609208  0.464847  1
  Al  Al371  1  0.763652  0.660483  0.433454  1
  Al  Al372  1  0.907485  0.609208  0.464847  1
  Al  Al373  1  0.502335  0.134955  0.449222  1
  Al  Al374  1  0.169001  0.134955  0.449222  1
  Al  Al375  1  0.358502  0.186230  0.417829  1
  Al  Al376  1  0.835668  0.134955  0.449222  1
  Al  Al377  1  0.025169  0.186230  0.417829  1
  Al  Al378  1  0.335668  0.634955  0.449222  1
  Al  Al379  1  0.525169  0.686230  0.417829  1
  Al  Al380  1  0.691835  0.186230  0.417829  1
  Al  Al381  1  0.002335  0.634955  0.449222  1
  Al  Al382  1  0.191835  0.686230  0.417829  1
  Al  Al383  1  0.669001  0.634955  0.449222  1
  Al  Al384  1  0.858502  0.686230  0.417829  1
  Al  Al385  1  0.545259  0.919731  0.503838  1
  Al  Al386  1  0.211926  0.919731  0.503838  1
  Al  Al387  1  0.401628  0.971223  0.472589  1
  Al  Al388  1  0.878592  0.919731  0.503838  1
  Al  Al389  1  0.068294  0.971223  0.472589  1
  Al  Al390  1  0.378592  0.419731  0.503838  1
  Al  Al391  1  0.568294  0.471223  0.472589  1
  Al  Al392  1  0.734961  0.971223  0.472589  1
  Al  Al393  1  0.045259  0.419731  0.503838  1
  Al  Al394  1  0.234961  0.471223  0.472589  1
  Al  Al395  1  0.711926  0.419731  0.503838  1
  Al  Al396  1  0.901628  0.471223  0.472589  1
  Al  Al397  1  0.444749  0.756219  0.527347  1
  Al  Al398  1  0.111416  0.756219  0.527347  1
  Al  Al399  1  0.300917  0.807494  0.495954  1
  Al  Al400  1  0.778083  0.756219  0.527347  1
  Al  Al401  1  0.967584  0.807494  0.495954  1
  Al  Al402  1  0.278083  0.256219  0.527347  1
  Al  Al403  1  0.467584  0.307494  0.495954  1
  Al  Al404  1  0.634250  0.807494  0.495954  1
  Al  Al405  1  0.944749  0.256219  0.527347  1
  Al  Al406  1  0.134250  0.307494  0.495954  1
  Al  Al407  1  0.611416  0.256219  0.527347  1
  Al  Al408  1  0.800917  0.307494  0.495954  1
  Al  Al409  1  0.539600  0.781966  0.511721  1
  Al  Al410  1  0.206266  0.781966  0.511721  1
  Al  Al411  1  0.395767  0.833241  0.480329  1
  Al  Al412  1  0.872933  0.781966  0.511721  1
  Al  Al413  1  0.062434  0.833241  0.480329  1
  Al  Al414  1  0.372933  0.281966  0.511721  1
  Al  Al415  1  0.562434  0.333241  0.480329  1
  Al  Al416  1  0.729100  0.833241  0.480329  1
  Al  Al417  1  0.039600  0.281966  0.511721  1
  Al  Al418  1  0.229100  0.333241  0.480329  1
  Al  Al419  1  0.706266  0.281966  0.511721  1
  Al  Al420  1  0.895767  0.333241  0.480329  1
  Al  Al421  1  0.484961  0.721223  0.472589  1
  Al  Al422  1  0.151628  0.721223  0.472589  1
  Al  Al423  1  0.295259  0.669731  0.503838  1
  Al  Al424  1  0.818294  0.721223  0.472589  1
  Al  Al425  1  0.961926  0.669731  0.503838  1
  Al  Al426  1  0.318294  0.221223  0.472589  1
  Al  Al427  1  0.461926  0.169731  0.503838  1
  Al  Al428  1  0.628592  0.669731  0.503838  1
  Al  Al429  1  0.984961  0.221223  0.472589  1
  Al  Al430  1  0.128592  0.169731  0.503838  1
  Al  Al431  1  0.651628  0.221223  0.472589  1
  Al  Al432  1  0.795259  0.169731  0.503838  1
  Al  Al433  1  0.550917  0.057494  0.495954  1
  Al  Al434  1  0.217584  0.057494  0.495954  1
  Al  Al435  1  0.361416  0.006219  0.527347  1
  Al  Al436  1  0.884250  0.057494  0.495954  1
  Al  Al437  1  0.028083  0.006219  0.527347  1
  Al  Al438  1  0.384250  0.557494  0.495954  1
  Al  Al439  1  0.528083  0.506219  0.527347  1
  Al  Al440  1  0.694749  0.006219  0.527347  1
  Al  Al441  1  0.050917  0.557494  0.495954  1
  Al  Al442  1  0.194749  0.506219  0.527347  1
  Al  Al443  1  0.717584  0.557494  0.495954  1
  Al  Al444  1  0.861416  0.506219  0.527347  1
  Al  Al445  1  0.456266  0.031966  0.511721  1
  Al  Al446  1  0.122933  0.031966  0.511721  1
  Al  Al447  1  0.312434  0.083241  0.480329  1
  Al  Al448  1  0.789600  0.031966  0.511721  1
  Al  Al449  1  0.979100  0.083241  0.480329  1
  Al  Al450  1  0.289600  0.531966  0.511721  1
  Al  Al451  1  0.479100  0.583241  0.480329  1
  Al  Al452  1  0.645767  0.083241  0.480329  1
  Al  Al453  1  0.956266  0.531966  0.511721  1
  Al  Al454  1  0.145767  0.583241  0.480329  1
  Al  Al455  1  0.622933  0.531966  0.511721  1
  Al  Al456  1  0.812434  0.583241  0.480329  1
  Al  Al457  1  0.499185  0.816746  0.566335  1
  Al  Al458  1  0.165852  0.816746  0.566335  1
  Al  Al459  1  0.355557  0.868236  0.535087  1
  Al  Al460  1  0.832518  0.816746  0.566335  1
  Al  Al461  1  0.022224  0.868236  0.535087  1
  Al  Al462  1  0.332518  0.316746  0.566335  1
  Al  Al463  1  0.522224  0.368236  0.535087  1
  Al  Al464  1  0.688890  0.868236  0.535087  1
  Al  Al465  1  0.999185  0.316746  0.566335  1
  Al  Al466  1  0.188890  0.368236  0.535087  1
  Al  Al467  1  0.665852  0.316746  0.566335  1
  Al  Al468  1  0.855557  0.368236  0.535087  1
  Al  Al469  1  0.398681  0.653230  0.589847  1
  Al  Al470  1  0.065348  0.653230  0.589847  1
  Al  Al471  1  0.254849  0.704505  0.558454  1
  Al  Al472  1  0.732014  0.653230  0.589847  1
  Al  Al473  1  0.921515  0.704505  0.558454  1
  Al  Al474  1  0.232014  0.153230  0.589847  1
  Al  Al475  1  0.421515  0.204505  0.558454  1
  Al  Al476  1  0.588182  0.704505  0.558454  1
  Al  Al477  1  0.898681  0.153230  0.589847  1
  Al  Al478  1  0.088182  0.204505  0.558454  1
  Al  Al479  1  0.565348  0.153230  0.589847  1
  Al  Al480  1  0.754849  0.204505  0.558454  1
  Al  Al481  1  0.493531  0.678977  0.574222  1
  Al  Al482  1  0.160198  0.678977  0.574222  1
  Al  Al483  1  0.349699  0.730252  0.542829  1
  Al  Al484  1  0.826864  0.678977  0.574222  1
  Al  Al485  1  0.016365  0.730252  0.542829  1
  Al  Al486  1  0.326864  0.178977  0.574222  1
  Al  Al487  1  0.516365  0.230252  0.542829  1
  Al  Al488  1  0.683032  0.730252  0.542829  1
  Al  Al489  1  0.993531  0.178977  0.574222  1
  Al  Al490  1  0.183032  0.230252  0.542829  1
  Al  Al491  1  0.660198  0.178977  0.574222  1
  Al  Al492  1  0.849699  0.230252  0.542829  1
  Al  Al493  1  0.438890  0.618236  0.535087  1
  Al  Al494  1  0.105557  0.618236  0.535087  1
  Al  Al495  1  0.249185  0.566746  0.566335  1
  Al  Al496  1  0.772224  0.618236  0.535087  1
  Al  Al497  1  0.915852  0.566746  0.566335  1
  Al  Al498  1  0.272224  0.118236  0.535087  1
  Al  Al499  1  0.415852  0.066746  0.566335  1
  Al  Al500  1  0.582518  0.566746  0.566335  1
  Al  Al501  1  0.938890  0.118236  0.535087  1
  Al  Al502  1  0.082518  0.066746  0.566335  1
  Al  Al503  1  0.605557  0.118236  0.535087  1
  Al  Al504  1  0.749185  0.066746  0.566335  1
  Al  Al505  1  0.504849  0.954505  0.558454  1
  Al  Al506  1  0.171515  0.954505  0.558454  1
  Al  Al507  1  0.315348  0.903230  0.589847  1
  Al  Al508  1  0.838182  0.954505  0.558454  1
  Al  Al509  1  0.982014  0.903230  0.589847  1
  Al  Al510  1  0.338182  0.454505  0.558454  1
  Al  Al511  1  0.482014  0.403230  0.589847  1
  Al  Al512  1  0.648681  0.903230  0.589847  1
  Al  Al513  1  0.004849  0.454505  0.558454  1
  Al  Al514  1  0.148681  0.403230  0.589847  1
  Al  Al515  1  0.671515  0.454505  0.558454  1
  Al  Al516  1  0.815348  0.403230  0.589847  1
  Al  Al517  1  0.410198  0.928977  0.574222  1
  Al  Al518  1  0.076864  0.928977  0.574222  1
  Al  Al519  1  0.266365  0.980252  0.542829  1
  Al  Al520  1  0.743531  0.928977  0.574222  1
  Al  Al521  1  0.933032  0.980252  0.542829  1
  Al  Al522  1  0.243531  0.428977  0.574222  1
  Al  Al523  1  0.433032  0.480252  0.542829  1
  Al  Al524  1  0.599699  0.980252  0.542829  1
  Al  Al525  1  0.910198  0.428977  0.574222  1
  Al  Al526  1  0.099699  0.480252  0.542829  1
  Al  Al527  1  0.576864  0.428977  0.574222  1
  Al  Al528  1  0.766365  0.480252  0.542829  1
  Al  Al529  1  0.453063  0.713617  0.628887  1
  Al  Al530  1  0.119730  0.713617  0.628887  1
  Al  Al531  1  0.309490  0.765233  0.597600  1
  Al  Al532  1  0.786397  0.713617  0.628887  1
  Al  Al533  1  0.976157  0.765233  0.597600  1
  Al  Al534  1  0.286397  0.213617  0.628887  1
  Al  Al535  1  0.476157  0.265233  0.597600  1
  Al  Al536  1  0.642824  0.765233  0.597600  1
  Al  Al537  1  0.953063  0.213617  0.628887  1
  Al  Al538  1  0.142824  0.265233  0.597600  1
  Al  Al539  1  0.619730  0.213617  0.628887  1
  Al  Al540  1  0.809490  0.265233  0.597600  1
  Al  Al541  1  0.352613  0.550241  0.652347  1
  Al  Al542  1  0.019279  0.550241  0.652347  1
  Al  Al543  1  0.208780  0.601515  0.620954  1
  Al  Al544  1  0.685946  0.550241  0.652347  1
  Al  Al545  1  0.875447  0.601515  0.620954  1
  Al  Al546  1  0.185946  0.050241  0.652347  1
  Al  Al547  1  0.375447  0.101515  0.620954  1
  Al  Al548  1  0.542113  0.601515  0.620954  1
  Al  Al549  1  0.852613  0.050241  0.652347  1
  Al  Al550  1  0.042113  0.101515  0.620954  1
  Al  Al551  1  0.519279  0.050241  0.652347  1
  Al  Al552  1  0.708780  0.101515  0.620954  1
  Al  Al553  1  0.447463  0.575987  0.636721  1
  Al  Al554  1  0.114130  0.575987  0.636721  1
  Al  Al555  1  0.303630  0.627262  0.605329  1
  Al  Al556  1  0.780796  0.575987  0.636721  1
  Al  Al557  1  0.970297  0.627262  0.605329  1
  Al  Al558  1  0.280796  0.075987  0.636721  1
  Al  Al559  1  0.470297  0.127262  0.605329  1
  Al  Al560  1  0.636964  0.627262  0.605329  1
  Al  Al561  1  0.947463  0.075987  0.636721  1
  Al  Al562  1  0.136964  0.127262  0.605329  1
  Al  Al563  1  0.614130  0.075987  0.636721  1
  Al  Al564  1  0.803630  0.127262  0.605329  1
  Al  Al565  1  0.392824  0.515233  0.597600  1
  Al  Al566  1  0.059490  0.515233  0.597600  1
  Al  Al567  1  0.203063  0.463617  0.628887  1
  Al  Al568  1  0.726157  0.515233  0.597600  1
  Al  Al569  1  0.869730  0.463617  0.628887  1
  Al  Al570  1  0.226157  0.015233  0.597600  1
  Al  Al571  1  0.369730  0.963617  0.628887  1
  Al  Al572  1  0.536397  0.463617  0.628887  1
  Al  Al573  1  0.892824  0.015233  0.597600  1
  Al  Al574  1  0.036397  0.963617  0.628887  1
  Al  Al575  1  0.559490  0.015233  0.597600  1
  Al  Al576  1  0.703063  0.963617  0.628887  1
  Al  Al577  1  0.458780  0.851515  0.620954  1
  Al  Al578  1  0.125447  0.851515  0.620954  1
  Al  Al579  1  0.269279  0.800241  0.652347  1
  Al  Al580  1  0.792113  0.851515  0.620954  1
  Al  Al581  1  0.935946  0.800241  0.652347  1
  Al  Al582  1  0.292113  0.351515  0.620954  1
  Al  Al583  1  0.435946  0.300241  0.652347  1
  Al  Al584  1  0.602613  0.800241  0.652347  1
  Al  Al585  1  0.958780  0.351515  0.620954  1
  Al  Al586  1  0.102613  0.300241  0.652347  1
  Al  Al587  1  0.625447  0.351515  0.620954  1
  Al  Al588  1  0.769279  0.300241  0.652347  1
  Al  Al589  1  0.364130  0.825987  0.636721  1
  Al  Al590  1  0.030796  0.825987  0.636721  1
  Al  Al591  1  0.220297  0.877262  0.605329  1
  Al  Al592  1  0.697463  0.825987  0.636721  1
  Al  Al593  1  0.886964  0.877262  0.605329  1
  Al  Al594  1  0.197463  0.325987  0.636721  1
  Al  Al595  1  0.386964  0.377262  0.605329  1
  Al  Al596  1  0.553630  0.877262  0.605329  1
  Al  Al597  1  0.864130  0.325987  0.636721  1
  Al  Al598  1  0.053630  0.377262  0.605329  1
  Al  Al599  1  0.530796  0.325987  0.636721  1
  Al  Al600  1  0.720297  0.377262  0.605329  1
  Al  Al601  1  0.406762  0.610810  0.691125  1
  Al  Al602  1  0.073429  0.610810  0.691125  1
  Al  Al603  1  0.263564  0.662026  0.660443  1
  Al  Al604  1  0.740096  0.610810  0.691125  1
  Al  Al605  1  0.930231  0.662026  0.660443  1
  Al  Al606  1  0.240096  0.110810  0.691125  1
  Al  Al607  1  0.430231  0.162026  0.660443  1
  Al  Al608  1  0.596897  0.662026  0.660443  1
  Al  Al609  1  0.906762  0.110810  0.691125  1
  Al  Al610  1  0.096897  0.162026  0.660443  1
  Al  Al611  1  0.573429  0.110810  0.691125  1
  Al  Al612  1  0.763564  0.162026  0.660443  1
  Al  Al613  1  0.306543  0.447247  0.714846  1
  Al  Al614  1  0.973209  0.447247  0.714846  1
  Al  Al615  1  0.162712  0.498526  0.683454  1
  Al  Al616  1  0.639876  0.447247  0.714846  1
  Al  Al617  1  0.829378  0.498526  0.683454  1
  Al  Al618  1  0.139876  0.947247  0.714846  1
  Al  Al619  1  0.329378  0.998526  0.683454  1
  Al  Al620  1  0.496045  0.498526  0.683454  1
  Al  Al621  1  0.806543  0.947247  0.714846  1
  Al  Al622  1  0.996045  0.998526  0.683454  1
  Al  Al623  1  0.473209  0.947247  0.714846  1
  Al  Al624  1  0.662712  0.998526  0.683454  1
  Al  Al625  1  0.401395  0.472998  0.699221  1
  Al  Al626  1  0.068061  0.472998  0.699221  1
  Al  Al627  1  0.257561  0.524273  0.667829  1
  Al  Al628  1  0.734728  0.472998  0.699221  1
  Al  Al629  1  0.924228  0.524273  0.667829  1
  Al  Al630  1  0.234728  0.972998  0.699221  1
  Al  Al631  1  0.424228  0.024273  0.667829  1
  Al  Al632  1  0.590895  0.524273  0.667829  1
  Al  Al633  1  0.901395  0.972998  0.699221  1
  Al  Al634  1  0.090895  0.024273  0.667829  1
  Al  Al635  1  0.568061  0.972998  0.699221  1
  Al  Al636  1  0.757561  0.024273  0.667829  1
  Al  Al637  1  0.346897  0.412026  0.660443  1
  Al  Al638  1  0.013564  0.412026  0.660443  1
  Al  Al639  1  0.156762  0.360810  0.691125  1
  Al  Al640  1  0.680231  0.412026  0.660443  1
  Al  Al641  1  0.823429  0.360810  0.691125  1
  Al  Al642  1  0.180231  0.912026  0.660443  1
  Al  Al643  1  0.323429  0.860810  0.691125  1
  Al  Al644  1  0.490096  0.360810  0.691125  1
  Al  Al645  1  0.846897  0.912026  0.660443  1
  Al  Al646  1  0.990096  0.860810  0.691125  1
  Al  Al647  1  0.513564  0.912026  0.660443  1
  Al  Al648  1  0.656762  0.860810  0.691125  1
  Al  Al649  1  0.412712  0.748526  0.683454  1
  Al  Al650  1  0.079378  0.748526  0.683454  1
  Al  Al651  1  0.223209  0.697247  0.714846  1
  Al  Al652  1  0.746045  0.748526  0.683454  1
  Al  Al653  1  0.889876  0.697247  0.714846  1
  Al  Al654  1  0.246045  0.248526  0.683454  1
  Al  Al655  1  0.389876  0.197247  0.714846  1
  Al  Al656  1  0.556543  0.697247  0.714846  1
  Al  Al657  1  0.912712  0.248526  0.683454  1
  Al  Al658  1  0.056543  0.197247  0.714846  1
  Al  Al659  1  0.579378  0.248526  0.683454  1
  Al  Al660  1  0.723209  0.197247  0.714846  1
  Al  Al661  1  0.318061  0.722998  0.699221  1
  Al  Al662  1  0.984728  0.722998  0.699221  1
  Al  Al663  1  0.174228  0.774273  0.667829  1
  Al  Al664  1  0.651395  0.722998  0.699221  1
  Al  Al665  1  0.840895  0.774273  0.667829  1
  Al  Al666  1  0.151395  0.222998  0.699221  1
  Al  Al667  1  0.340895  0.274273  0.667829  1
  Al  Al668  1  0.507561  0.774273  0.667829  1
  Al  Al669  1  0.818061  0.222998  0.699221  1
  Al  Al670  1  0.007561  0.274273  0.667829  1
  Al  Al671  1  0.484728  0.222998  0.699221  1
  Al  Al672  1  0.674228  0.274273  0.667829  1
