# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.76315670
_cell_length_b   8.14594582
_cell_length_c   47.94444629
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.43833909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5604.78064465
_cell_formula_units_Z   28
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
  Al  Al1  1  0.494987  0.902167  0.315708  1
  Al  Al2  1  0.972103  0.279700  0.279075  1
  Al  Al3  1  0.491175  0.588569  0.298222  1
  Al  Al4  1  0.956917  0.942032  0.267368  1
  Al  Al5  1  0.510356  0.219988  0.333452  1
  Al  Al6  1  0.984230  0.598446  0.297631  1
  Al  Al7  1  0.704747  0.449748  0.265393  1
  Al  Al8  1  0.239592  0.095570  0.296832  1
  Al  Al9  1  0.747800  0.388009  0.319237  1
  Al  Al10  1  0.222069  0.767128  0.281944  1
  Al  Al11  1  0.725398  0.800776  0.279921  1
  Al  Al12  1  0.245697  0.405384  0.317923  1
  Al  Al13  1  0.549239  0.138712  0.383669  1
  Al  Al14  1  0.023802  0.519987  0.350205  1
  Al  Al15  1  0.536887  0.817986  0.367533  1
  Al  Al16  1  0.011277  0.197195  0.334631  1
  Al  Al17  1  0.561396  0.460917  0.399039  1
  Al  Al18  1  0.036103  0.839553  0.365914  1
  Al  Al19  1  0.760882  0.711376  0.333765  1
  Al  Al20  1  0.286224  0.328216  0.367072  1
  Al  Al21  1  0.800311  0.628050  0.384615  1
  Al  Al22  1  0.274325  0.008509  0.350812  1
  Al  Al23  1  0.773901  0.030810  0.349545  1
  Al  Al24  1  0.298926  0.649997  0.382218  1
  Al  Al25  1  0.601154  0.380377  0.450312  1
  Al  Al26  1  0.075593  0.759819  0.416912  1
  Al  Al27  1  0.588916  0.059019  0.434640  1
  Al  Al28  1  0.063262  0.438566  0.401360  1
  Al  Al29  1  0.613323  0.701528  0.466016  1
  Al  Al30  1  0.087709  0.080859  0.432658  1
  Al  Al31  1  0.812451  0.949449  0.400345  1
  Al  Al32  1  0.338548  0.570198  0.433483  1
  Al  Al33  1  0.851949  0.869257  0.451338  1
  Al  Al34  1  0.326219  0.248970  0.417867  1
  Al  Al35  1  0.824640  0.270629  0.416052  1
  Al  Al36  1  0.350578  0.891306  0.449264  1
  Al  Al37  1  0.652879  0.621385  0.517121  1
  Al  Al38  1  0.127285  1.000921  0.483671  1
  Al  Al39  1  0.640736  0.300140  0.501412  1
  Al  Al40  1  0.115125  0.679720  0.467955  1
  Al  Al41  1  0.665031  0.942597  0.532831  1
  Al  Al42  1  0.139455  0.322223  0.499371  1
  Al  Al43  1  0.864167  0.190525  0.467043  1
  Al  Al44  1  0.390120  0.811190  0.500370  1
  Al  Al45  1  0.903767  0.110470  0.518067  1
  Al  Al46  1  0.377979  0.489985  0.484654  1
  Al  Al47  1  0.876326  0.511834  0.482736  1
  Al  Al48  1  0.402271  0.132412  0.516098  1
  Al  Al49  1  0.704418  0.862322  0.583891  1
  Al  Al50  1  0.179106  0.242090  0.550440  1
  Al  Al51  1  0.692312  0.541249  0.568195  1
  Al  Al52  1  0.166917  0.920867  0.534737  1
  Al  Al53  1  0.716646  0.183819  0.599518  1
  Al  Al54  1  0.191323  0.563382  0.566118  1
  Al  Al55  1  0.915952  0.431765  0.533766  1
  Al  Al56  1  0.441723  0.052266  0.567264  1
  Al  Al57  1  0.955591  0.351619  0.584766  1
  Al  Al58  1  0.429676  0.731092  0.551482  1
  Al  Al59  1  0.928172  0.753040  0.549440  1
  Al  Al60  1  0.454061  0.373373  0.582926  1
  Al  Al61  1  0.756461  0.102706  0.650418  1
  Al  Al62  1  0.231015  0.483796  0.617063  1
  Al  Al63  1  0.743622  0.782164  0.634834  1
  Al  Al64  1  0.219002  0.161737  0.601656  1
  Al  Al65  1  0.769331  0.425864  0.666005  1
  Al  Al66  1  0.243393  0.804353  0.633116  1
  Al  Al67  1  0.967693  0.672992  0.600365  1
  Al  Al68  1  0.494406  0.293174  0.634196  1
  Al  Al69  1  0.006095  0.591724  0.651113  1
  Al  Al70  1  0.481345  0.972730  0.618484  1
  Al  Al71  1  0.979893  0.994425  0.616084  1
  Al  Al72  1  0.505887  0.613534  0.649994  1
  Al  Al73  1  0.811072  0.347541  0.721076  1
  Al  Al74  1  0.283464  0.717197  0.684566  1
  Al  Al75  1  0.796349  0.024914  0.702765  1
  Al  Al76  1  0.269663  0.402408  0.667106  1
  Al  Al77  1  0.822681  0.681596  0.733087  1
  Al  Al78  1  0.287718  0.032743  0.701973  1
  Al  Al79  1  0.019712  0.911925  0.666781  1
  Al  Al80  1  0.540172  0.528439  0.704039  1
  Al  Al81  1  0.056665  0.833320  0.720222  1
  Al  Al82  1  0.536535  0.213503  0.685531  1
  Al  Al83  1  0.033034  0.232667  0.682359  1
  Al  Al84  1  0.558431  0.866467  0.718143  1
  Ni  Ni85  1  0.737444  0.094016  0.301254  1
  Ni  Ni86  1  0.208242  0.459328  0.271369  1
  Ni  Ni87  1  0.343063  0.385179  0.278162  1
  Ni  Ni88  1  0.868116  0.996500  0.308284  1
  Ni  Ni89  1  0.365646  0.993662  0.308312  1
  Ni  Ni90  1  0.835852  0.368789  0.278211  1
  Ni  Ni91  1  0.594358  0.894094  0.278165  1
  Ni  Ni92  1  0.111644  0.490053  0.309027  1
  Ni  Ni93  1  0.355146  0.683761  0.292836  1
  Ni  Ni94  1  0.885031  0.306572  0.324896  1
  Ni  Ni95  1  0.472986  0.279859  0.286455  1
  Ni  Ni96  1  0.995155  0.894789  0.317714  1
  Ni  Ni97  1  0.604801  0.187411  0.293437  1
  Ni  Ni98  1  0.130785  0.804010  0.324987  1
  Ni  Ni99  1  0.630630  0.805839  0.325188  1
  Ni  Ni100  1  0.101407  0.179416  0.292843  1
  Ni  Ni101  1  0.377347  0.304921  0.325809  1
  Ni  Ni102  1  0.846259  0.673875  0.293163  1
  Ni  Ni103  1  0.622797  0.501162  0.307965  1
  Ni  Ni104  1  0.093560  0.882063  0.278332  1
  Ni  Ni105  1  0.786771  0.328370  0.367140  1
  Ni  Ni106  1  0.259569  0.707650  0.333068  1
  Ni  Ni107  1  0.393524  0.613871  0.341092  1
  Ni  Ni108  1  0.918670  0.234668  0.375341  1
  Ni  Ni109  1  0.417937  0.234700  0.375179  1
  Ni  Ni110  1  0.892370  0.611857  0.341680  1
  Ni  Ni111  1  0.638439  0.108876  0.342237  1
  Ni  Ni112  1  0.165472  0.732291  0.375319  1
  Ni  Ni113  1  0.407426  0.925513  0.358032  1
  Ni  Ni114  1  0.934049  0.546802  0.391743  1
  Ni  Ni115  1  0.524060  0.520811  0.349082  1
  Ni  Ni116  1  0.049918  0.138498  0.383610  1
  Ni  Ni117  1  0.654656  0.424955  0.358636  1
  Ni  Ni118  1  0.181108  0.044102  0.391793  1
  Ni  Ni119  1  0.680679  0.043996  0.391989  1
  Ni  Ni120  1  0.153897  0.422900  0.358776  1
  Ni  Ni121  1  0.428203  0.542461  0.391777  1
  Ni  Ni122  1  0.902113  0.921455  0.358886  1
  Ni  Ni123  1  0.670643  0.737079  0.375020  1
  Ni  Ni124  1  0.145575  0.111952  0.340798  1
  Ni  Ni125  1  0.838218  0.569964  0.433681  1
  Ni  Ni126  1  0.312617  0.949570  0.400124  1
  Ni  Ni127  1  0.443794  0.854465  0.408473  1
  Ni  Ni128  1  0.969797  0.475252  0.442017  1
  Ni  Ni129  1  0.469797  0.475288  0.441898  1
  Ni  Ni130  1  0.943976  0.854472  0.408634  1
  Ni  Ni131  1  0.690747  0.352210  0.408869  1
  Ni  Ni132  1  0.216983  0.972979  0.442131  1
  Ni  Ni133  1  0.459805  0.167354  0.425064  1
  Ni  Ni134  1  0.985763  0.787742  0.458443  1
  Ni  Ni135  1  0.575132  0.759801  0.416887  1
  Ni  Ni136  1  0.101359  0.380360  0.450344  1
  Ni  Ni137  1  0.706635  0.664789  0.425280  1
  Ni  Ni138  1  0.232907  0.285601  0.458641  1
  Ni  Ni139  1  0.732598  0.285375  0.458704  1
  Ni  Ni140  1  0.207168  0.665097  0.425166  1
  Ni  Ni141  1  0.479673  0.783122  0.458860  1
  Ni  Ni142  1  0.953993  0.162457  0.425552  1
  Ni  Ni143  1  0.722629  0.977412  0.441794  1
  Ni  Ni144  1  0.196899  0.357015  0.408459  1
  Ni  Ni145  1  0.890052  0.811147  0.500400  1
  Ni  Ni146  1  0.364258  0.190667  0.466977  1
  Ni  Ni147  1  0.495633  0.095759  0.475367  1
  Ni  Ni148  1  0.021651  0.716368  0.508707  1
  Ni  Ni149  1  0.521490  0.716286  0.508753  1
  Ni  Ni150  1  0.995722  0.095701  0.475363  1
  Ni  Ni151  1  0.742545  0.593356  0.475605  1
  Ni  Ni152  1  0.268675  0.214042  0.508939  1
  Ni  Ni153  1  0.511571  0.408344  0.491820  1
  Ni  Ni154  1  0.037613  0.029000  0.525172  1
  Ni  Ni155  1  0.627028  1.000815  0.483732  1
  Ni  Ni156  1  0.153184  0.621554  0.517035  1
  Ni  Ni157  1  0.758493  0.905935  0.492082  1
  Ni  Ni158  1  0.284617  0.526662  0.525384  1
  Ni  Ni159  1  0.784369  0.526588  0.525450  1
  Ni  Ni160  1  0.258744  0.906082  0.492003  1
  Ni  Ni161  1  0.531356  0.024223  0.525701  1
  Ni  Ni162  1  0.005682  0.403772  0.492265  1
  Ni  Ni163  1  0.774445  0.218557  0.508541  1
  Ni  Ni164  1  0.248849  0.598131  0.475052  1
  Ni  Ni165  1  0.941911  0.052324  0.567082  1
  Ni  Ni166  1  0.415988  0.431723  0.533776  1
  Ni  Ni167  1  0.547300  0.336727  0.542152  1
  Ni  Ni168  1  0.073616  0.957695  0.575440  1
  Ni  Ni169  1  0.573006  0.957304  0.575596  1
  Ni  Ni170  1  0.047574  0.336977  0.542072  1
  Ni  Ni171  1  0.794318  0.834519  0.542364  1
  Ni  Ni172  1  0.320523  0.455127  0.575687  1
  Ni  Ni173  1  0.563181  0.649289  0.558662  1
  Ni  Ni174  1  0.089446  0.270226  0.591890  1
  Ni  Ni175  1  0.678730  0.241927  0.550481  1
  Ni  Ni176  1  0.205180  0.862653  0.583848  1
  Ni  Ni177  1  0.810248  0.147066  0.558804  1
  Ni  Ni178  1  0.336538  0.768039  0.592248  1
  Ni  Ni179  1  0.836058  0.767683  0.592147  1
  Ni  Ni180  1  0.310506  0.147144  0.558853  1
  Ni  Ni181  1  0.583078  0.265238  0.592472  1
  Ni  Ni182  1  0.057594  0.644956  0.558965  1
  Ni  Ni183  1  0.826048  0.459733  0.575250  1
  Ni  Ni184  1  0.300589  0.839284  0.541882  1
  Ni  Ni185  1  0.993486  0.293580  0.633873  1
  Ni  Ni186  1  0.467669  0.672932  0.600651  1
  Ni  Ni187  1  0.598763  0.577609  0.609101  1
  Ni  Ni188  1  0.125445  0.197653  0.642008  1
  Ni  Ni189  1  0.625784  0.199681  0.642437  1
  Ni  Ni190  1  0.099417  0.578169  0.608770  1
  Ni  Ni191  1  0.846098  0.075455  0.608975  1
  Ni  Ni192  1  0.372934  0.697094  0.642656  1
  Ni  Ni193  1  0.614652  0.890277  0.625433  1
  Ni  Ni194  1  0.140763  0.511988  0.658494  1
  Ni  Ni195  1  0.729984  0.483481  0.617284  1
  Ni  Ni196  1  0.256308  0.101792  0.651454  1
  Ni  Ni197  1  0.861639  0.387811  0.625365  1
  Ni  Ni198  1  0.387173  0.009271  0.659636  1
  Ni  Ni199  1  0.887665  0.010482  0.658853  1
  Ni  Ni200  1  0.362658  0.387794  0.625551  1
  Ni  Ni201  1  0.633839  0.508857  0.660258  1
  Ni  Ni202  1  0.109618  0.885508  0.625585  1
  Ni  Ni203  1  0.878133  0.701574  0.641837  1
  Ni  Ni204  1  0.352389  0.080375  0.608992  1
  Ni  Ni205  1  0.042088  0.530276  0.699493  1
  Ni  Ni206  1  0.520391  0.914402  0.667298  1
  Ni  Ni207  1  0.649279  0.818693  0.675622  1
  Ni  Ni208  1  0.173400  0.431014  0.707334  1
  Ni  Ni209  1  0.679740  0.444603  0.707717  1
  Ni  Ni210  1  0.149194  0.815911  0.675176  1
  Ni  Ni211  1  0.895473  0.316078  0.675731  1
  Ni  Ni212  1  0.421409  0.934665  0.707268  1
  Ni  Ni213  1  0.670472  0.135526  0.691907  1
  Ni  Ni214  1  0.185296  0.727537  0.722028  1
  Ni  Ni215  1  0.784044  0.726422  0.682862  1
  Ni  Ni216  1  0.307839  0.344189  0.713831  1
  Ni  Ni217  1  0.912398  0.627447  0.692286  1
  Ni  Ni218  1  0.434059  0.236402  0.722297  1
  Ni  Ni219  1  0.945760  0.251678  0.722432  1
  Ni  Ni220  1  0.414235  0.628969  0.692319  1
  Ni  Ni221  1  0.686444  0.742953  0.722045  1
  Ni  Ni222  1  0.157673  0.123410  0.692695  1
  Ni  Ni223  1  0.932283  0.946465  0.706860  1
  Ni  Ni224  1  0.403163  0.317510  0.674817  1
