# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.16990388
_cell_length_b   10.07760319
_cell_length_c   52.84018395
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.55446105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al120 Ni200'
_cell_volume   8214.44936416
_cell_formula_units_Z   40
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  0.329273  0.049874  0.359175  1
  Al  Al2  1  0.829273  0.549874  0.359175  1
  Al  Al3  1  0.882096  0.260618  0.315331  1
  Al  Al4  1  0.382096  0.760618  0.315331  1
  Al  Al5  1  0.474839  0.849267  0.348801  1
  Al  Al6  1  0.974839  0.349267  0.348801  1
  Al  Al7  1  0.025443  0.059914  0.299568  1
  Al  Al8  1  0.525443  0.559914  0.299568  1
  Al  Al9  1  0.237686  0.962423  0.326157  1
  Al  Al10  1  0.737686  0.462423  0.326157  1
  Al  Al11  1  0.791602  0.173803  0.276960  1
  Al  Al12  1  0.291602  0.673803  0.276960  1
  Al  Al13  1  0.154874  0.367632  0.286690  1
  Al  Al14  1  0.654874  0.867632  0.286690  1
  Al  Al15  1  0.605296  0.155976  0.336921  1
  Al  Al16  1  0.105296  0.655976  0.336921  1
  Al  Al17  1  0.310373  0.163177  0.278767  1
  Al  Al18  1  0.810373  0.663177  0.278767  1
  Al  Al19  1  0.749764  0.955910  0.326893  1
  Al  Al20  1  0.249764  0.455910  0.326893  1
  Al  Al21  1  0.509818  0.074200  0.297726  1
  Al  Al22  1  0.009818  0.574200  0.297726  1
  Al  Al23  1  0.960784  0.855485  0.347376  1
  Al  Al24  1  0.460784  0.355485  0.347376  1
  Al  Al25  1  0.222115  0.618984  0.450165  1
  Al  Al26  1  0.722115  0.118984  0.450165  1
  Al  Al27  1  0.775397  0.833588  0.404580  1
  Al  Al28  1  0.275397  0.333588  0.404580  1
  Al  Al29  1  0.366834  0.419611  0.439493  1
  Al  Al30  1  0.866834  0.919611  0.439493  1
  Al  Al31  1  0.920551  0.634156  0.393802  1
  Al  Al32  1  0.420551  0.134156  0.393802  1
  Al  Al33  1  0.130740  0.533162  0.415394  1
  Al  Al34  1  0.630740  0.033162  0.415394  1
  Al  Al35  1  0.683553  0.749171  0.368998  1
  Al  Al36  1  0.183553  0.249171  0.368998  1
  Al  Al37  1  0.052228  0.941061  0.381853  1
  Al  Al38  1  0.552228  0.441061  0.381853  1
  Al  Al39  1  0.498965  0.726396  0.427441  1
  Al  Al40  1  0.998965  0.226396  0.427441  1
  Al  Al41  1  0.197211  0.742269  0.371257  1
  Al  Al42  1  0.697211  0.242269  0.371257  1
  Al  Al43  1  0.643460  0.527086  0.416807  1
  Al  Al44  1  0.143460  0.027086  0.416807  1
  Al  Al45  1  0.408099  0.640131  0.392721  1
  Al  Al46  1  0.908099  0.140131  0.392721  1
  Al  Al47  1  0.854077  0.425989  0.438144  1
  Al  Al48  1  0.354077  0.925989  0.438144  1
  Al  Al49  1  0.115131  0.189370  0.541077  1
  Al  Al50  1  0.615131  0.689370  0.541077  1
  Al  Al51  1  0.668616  0.404145  0.495621  1
  Al  Al52  1  0.168616  0.904145  0.495621  1
  Al  Al53  1  0.259911  0.990050  0.530370  1
  Al  Al54  1  0.759911  0.490050  0.530370  1
  Al  Al55  1  0.813421  0.204764  0.484921  1
  Al  Al56  1  0.313421  0.704764  0.484921  1
  Al  Al57  1  0.023819  0.103544  0.506319  1
  Al  Al58  1  0.523819  0.603544  0.506319  1
  Al  Al59  1  0.577327  0.318275  0.460879  1
  Al  Al60  1  0.077327  0.818275  0.460879  1
  Al  Al61  1  0.945398  0.511643  0.472860  1
  Al  Al62  1  0.445398  0.011643  0.472860  1
  Al  Al63  1  0.391822  0.296699  0.518430  1
  Al  Al64  1  0.891822  0.796699  0.518430  1
  Al  Al65  1  0.090213  0.312261  0.462119  1
  Al  Al66  1  0.590213  0.812261  0.462119  1
  Al  Al67  1  0.536648  0.097343  0.507721  1
  Al  Al68  1  0.036648  0.597343  0.507721  1
  Al  Al69  1  0.300576  0.210982  0.483562  1
  Al  Al70  1  0.800576  0.710982  0.483562  1
  Al  Al71  1  0.747026  0.996034  0.529164  1
  Al  Al72  1  0.247026  0.496034  0.529164  1
  Al  Al73  1  0.008246  0.758707  0.632173  1
  Al  Al74  1  0.508246  0.258707  0.632173  1
  Al  Al75  1  0.561731  0.974873  0.586729  1
  Al  Al76  1  0.061731  0.474873  0.586729  1
  Al  Al77  1  0.153343  0.558649  0.622240  1
  Al  Al78  1  0.653343  0.058649  0.622240  1
  Al  Al79  1  0.706531  0.775188  0.575900  1
  Al  Al80  1  0.206531  0.275188  0.575900  1
  Al  Al81  1  0.916757  0.674140  0.597558  1
  Al  Al82  1  0.416757  0.174140  0.597558  1
  Al  Al83  1  0.470427  0.888758  0.551774  1
  Al  Al84  1  0.970427  0.388758  0.551774  1
  Al  Al85  1  0.838323  0.081843  0.563821  1
  Al  Al86  1  0.338323  0.581843  0.563821  1
  Al  Al87  1  0.285066  0.867067  0.609186  1
  Al  Al88  1  0.785066  0.367067  0.609186  1
  Al  Al89  1  0.983123  0.882337  0.553135  1
  Al  Al90  1  0.483123  0.382337  0.553135  1
  Al  Al91  1  0.429336  0.668025  0.598544  1
  Al  Al92  1  0.929336  0.168025  0.598544  1
  Al  Al93  1  0.193694  0.781200  0.574401  1
  Al  Al94  1  0.693694  0.281200  0.574401  1
  Al  Al95  1  0.639738  0.566691  0.619904  1
  Al  Al96  1  0.139738  0.066691  0.619904  1
  Al  Al97  1  0.900952  0.365553  0.722954  1
  Al  Al98  1  0.400952  0.865553  0.722954  1
  Al  Al99  1  0.455482  0.545845  0.676261  1
  Al  Al100  1  0.955482  0.045845  0.676261  1
  Al  Al101  1  0.054407  0.131203  0.715556  1
  Al  Al102  1  0.554407  0.631203  0.715556  1
  Al  Al103  1  0.599207  0.346482  0.665568  1
  Al  Al104  1  0.099207  0.846482  0.665568  1
  Al  Al105  1  0.808471  0.249593  0.688794  1
  Al  Al106  1  0.308471  0.749593  0.688794  1
  Al  Al107  1  0.362299  0.458882  0.642626  1
  Al  Al108  1  0.862299  0.958882  0.642626  1
  Al  Al109  1  0.731658  0.653795  0.654053  1
  Al  Al110  1  0.231658  0.153795  0.654053  1
  Al  Al111  1  0.184700  0.441724  0.705592  1
  Al  Al112  1  0.684700  0.941724  0.705592  1
  Al  Al113  1  0.877231  0.451998  0.644000  1
  Al  Al114  1  0.377231  0.951998  0.644000  1
  Al  Al115  1  0.326320  0.235235  0.692801  1
  Al  Al116  1  0.826320  0.735235  0.692801  1
  Al  Al117  1  0.087354  0.352630  0.664527  1
  Al  Al118  1  0.587354  0.852630  0.664527  1
  Al  Al119  1  0.529816  0.142973  0.713246  1
  Al  Al120  1  0.029816  0.642973  0.713246  1
  Ni  Ni121  1  0.382169  0.262642  0.314497  1
  Ni  Ni122  1  0.882169  0.762642  0.314497  1
  Ni  Ni123  1  0.829915  0.049162  0.359259  1
  Ni  Ni124  1  0.329915  0.549162  0.359259  1
  Ni  Ni125  1  0.520617  0.316152  0.303087  1
  Ni  Ni126  1  0.020617  0.816152  0.303087  1
  Ni  Ni127  1  0.969102  0.100320  0.347309  1
  Ni  Ni128  1  0.469102  0.600320  0.347309  1
  Ni  Ni129  1  0.297411  0.423360  0.283154  1
  Ni  Ni130  1  0.797411  0.923360  0.283154  1
  Ni  Ni131  1  0.744993  0.207996  0.325048  1
  Ni  Ni132  1  0.244993  0.707996  0.325048  1
  Ni  Ni133  1  0.381972  0.008793  0.314456  1
  Ni  Ni134  1  0.881972  0.508793  0.314456  1
  Ni  Ni135  1  0.930048  0.253942  0.272311  1
  Ni  Ni136  1  0.430048  0.753942  0.272311  1
  Ni  Ni137  1  0.330238  0.801206  0.359321  1
  Ni  Ni138  1  0.830238  0.301206  0.359321  1
  Ni  Ni139  1  0.883578  0.015383  0.312525  1
  Ni  Ni140  1  0.383578  0.515383  0.312525  1
  Ni  Ni141  1  0.104472  0.154668  0.336003  1
  Ni  Ni142  1  0.604472  0.654668  0.336003  1
  Ni  Ni143  1  0.660890  0.366129  0.292872  1
  Ni  Ni144  1  0.160890  0.866129  0.292872  1
  Ni  Ni145  1  0.243365  0.211270  0.323746  1
  Ni  Ni146  1  0.743365  0.711270  0.323746  1
  Ni  Ni147  1  0.794421  0.424594  0.282960  1
  Ni  Ni148  1  0.294421  0.924594  0.282960  1
  Ni  Ni149  1  0.468933  0.100769  0.346972  1
  Ni  Ni150  1  0.968933  0.600769  0.346972  1
  Ni  Ni151  1  0.021102  0.316946  0.303150  1
  Ni  Ni152  1  0.521102  0.816946  0.303150  1
  Ni  Ni153  1  0.103897  0.904384  0.336687  1
  Ni  Ni154  1  0.603897  0.404384  0.336687  1
  Ni  Ni155  1  0.659943  0.117197  0.293673  1
  Ni  Ni156  1  0.159943  0.617197  0.293673  1
  Ni  Ni157  1  0.161616  0.119657  0.291927  1
  Ni  Ni158  1  0.661616  0.619657  0.291927  1
  Ni  Ni159  1  0.606867  0.909697  0.333957  1
  Ni  Ni160  1  0.106867  0.409697  0.333957  1
  Ni  Ni161  1  0.275602  0.833757  0.404888  1
  Ni  Ni162  1  0.775602  0.333757  0.404888  1
  Ni  Ni163  1  0.722069  0.619199  0.450083  1
  Ni  Ni164  1  0.222069  0.119199  0.450083  1
  Ni  Ni165  1  0.414058  0.887824  0.393451  1
  Ni  Ni166  1  0.914058  0.387824  0.393451  1
  Ni  Ni167  1  0.860507  0.672712  0.438691  1
  Ni  Ni168  1  0.360507  0.172712  0.438691  1
  Ni  Ni169  1  0.189966  0.995865  0.370970  1
  Ni  Ni170  1  0.689966  0.495865  0.370970  1
  Ni  Ni171  1  0.637242  0.780091  0.415772  1
  Ni  Ni172  1  0.137242  0.280091  0.415772  1
  Ni  Ni173  1  0.274932  0.581449  0.405265  1
  Ni  Ni174  1  0.774932  0.081449  0.405265  1
  Ni  Ni175  1  0.828835  0.795317  0.359826  1
  Ni  Ni176  1  0.328835  0.295317  0.359826  1
  Ni  Ni177  1  0.222833  0.371342  0.449526  1
  Ni  Ni178  1  0.722833  0.871342  0.449526  1
  Ni  Ni179  1  0.776052  0.586546  0.404020  1
  Ni  Ni180  1  0.276052  0.086546  0.404020  1
  Ni  Ni181  1  0.998774  0.726274  0.427458  1
  Ni  Ni182  1  0.498774  0.226274  0.427458  1
  Ni  Ni183  1  0.552624  0.941787  0.381610  1
  Ni  Ni184  1  0.052624  0.441787  0.381610  1
  Ni  Ni185  1  0.137158  0.780098  0.416055  1
  Ni  Ni186  1  0.637158  0.280098  0.416055  1
  Ni  Ni187  1  0.690368  0.995249  0.370756  1
  Ni  Ni188  1  0.190368  0.495249  0.370756  1
  Ni  Ni189  1  0.360601  0.672614  0.438815  1
  Ni  Ni190  1  0.860601  0.172614  0.438815  1
  Ni  Ni191  1  0.913806  0.887439  0.393439  1
  Ni  Ni192  1  0.413806  0.387439  0.393439  1
  Ni  Ni193  1  0.998253  0.474017  0.427911  1
  Ni  Ni194  1  0.498253  0.974017  0.427911  1
  Ni  Ni195  1  0.551691  0.688660  0.382494  1
  Ni  Ni196  1  0.051691  0.188660  0.382494  1
  Ni  Ni197  1  0.052661  0.693935  0.381463  1
  Ni  Ni198  1  0.552661  0.193935  0.381463  1
  Ni  Ni199  1  0.499657  0.478578  0.426868  1
  Ni  Ni200  1  0.999657  0.978578  0.426868  1
  Ni  Ni201  1  0.168618  0.404151  0.495645  1
  Ni  Ni202  1  0.668618  0.904151  0.495645  1
  Ni  Ni203  1  0.615135  0.189094  0.541179  1
  Ni  Ni204  1  0.115135  0.689094  0.541179  1
  Ni  Ni205  1  0.306926  0.457857  0.484301  1
  Ni  Ni206  1  0.806926  0.957857  0.484301  1
  Ni  Ni207  1  0.753532  0.242994  0.529683  1
  Ni  Ni208  1  0.253532  0.742994  0.529683  1
  Ni  Ni209  1  0.083758  0.565281  0.461554  1
  Ni  Ni210  1  0.583758  0.065281  0.461554  1
  Ni  Ni211  1  0.530255  0.350350  0.507016  1
  Ni  Ni212  1  0.030255  0.850350  0.507016  1
  Ni  Ni213  1  0.167889  0.151833  0.496168  1
  Ni  Ni214  1  0.667889  0.651833  0.496168  1
  Ni  Ni215  1  0.721387  0.366622  0.450766  1
  Ni  Ni216  1  0.221387  0.866622  0.450766  1
  Ni  Ni217  1  0.115808  0.941719  0.540467  1
  Ni  Ni218  1  0.615808  0.441719  0.540467  1
  Ni  Ni219  1  0.669353  0.156456  0.495093  1
  Ni  Ni220  1  0.169353  0.656456  0.495093  1
  Ni  Ni221  1  0.891881  0.296825  0.518326  1
  Ni  Ni222  1  0.391881  0.796825  0.518326  1
  Ni  Ni223  1  0.445374  0.511504  0.472913  1
  Ni  Ni224  1  0.945374  0.011504  0.472913  1
  Ni  Ni225  1  0.030306  0.350474  0.506970  1
  Ni  Ni226  1  0.530306  0.850474  0.506970  1
  Ni  Ni227  1  0.583716  0.565289  0.461555  1
  Ni  Ni228  1  0.083716  0.065289  0.461555  1
  Ni  Ni229  1  0.253497  0.243031  0.529740  1
  Ni  Ni230  1  0.753497  0.743031  0.529740  1
  Ni  Ni231  1  0.806965  0.457968  0.484244  1
  Ni  Ni232  1  0.306965  0.957968  0.484244  1
  Ni  Ni233  1  0.891140  0.044311  0.518931  1
  Ni  Ni234  1  0.391140  0.544311  0.518931  1
  Ni  Ni235  1  0.444594  0.259193  0.473495  1
  Ni  Ni236  1  0.944594  0.759193  0.473495  1
  Ni  Ni237  1  0.946102  0.264019  0.472319  1
  Ni  Ni238  1  0.446102  0.764019  0.472319  1
  Ni  Ni239  1  0.392633  0.049151  0.517785  1
  Ni  Ni240  1  0.892633  0.549151  0.517785  1
  Ni  Ni241  1  0.061542  0.974679  0.586349  1
  Ni  Ni242  1  0.561542  0.474679  0.586349  1
  Ni  Ni243  1  0.507739  0.758851  0.632119  1
  Ni  Ni244  1  0.007739  0.258851  0.632119  1
  Ni  Ni245  1  0.200014  0.028285  0.575159  1
  Ni  Ni246  1  0.700014  0.528285  0.575159  1
  Ni  Ni247  1  0.646719  0.813490  0.620515  1
  Ni  Ni248  1  0.146719  0.313490  0.620515  1
  Ni  Ni249  1  0.976650  0.135718  0.552414  1
  Ni  Ni250  1  0.476650  0.635718  0.552414  1
  Ni  Ni251  1  0.423599  0.920720  0.597875  1
  Ni  Ni252  1  0.923599  0.420720  0.597875  1
  Ni  Ni253  1  0.061113  0.721798  0.587250  1
  Ni  Ni254  1  0.561113  0.221798  0.587250  1
  Ni  Ni255  1  0.614382  0.936997  0.541769  1
  Ni  Ni256  1  0.114382  0.436997  0.541769  1
  Ni  Ni257  1  0.008482  0.513371  0.631657  1
  Ni  Ni258  1  0.508482  0.013371  0.631657  1
  Ni  Ni259  1  0.562239  0.727115  0.585950  1
  Ni  Ni260  1  0.062239  0.227115  0.585950  1
  Ni  Ni261  1  0.784694  0.866218  0.609785  1
  Ni  Ni262  1  0.284694  0.366218  0.609785  1
  Ni  Ni263  1  0.338519  0.081970  0.563830  1
  Ni  Ni264  1  0.838519  0.581970  0.563830  1
  Ni  Ni265  1  0.923203  0.920550  0.597911  1
  Ni  Ni266  1  0.423203  0.420550  0.597911  1
  Ni  Ni267  1  0.476691  0.135637  0.552604  1
  Ni  Ni268  1  0.976691  0.635637  0.552604  1
  Ni  Ni269  1  0.146642  0.813008  0.620188  1
  Ni  Ni270  1  0.646642  0.313008  0.620188  1
  Ni  Ni271  1  0.699991  0.028140  0.575515  1
  Ni  Ni272  1  0.199991  0.528140  0.575515  1
  Ni  Ni273  1  0.784760  0.614015  0.609769  1
  Ni  Ni274  1  0.284760  0.114015  0.609769  1
  Ni  Ni275  1  0.337695  0.829618  0.564328  1
  Ni  Ni276  1  0.837695  0.329618  0.564328  1
  Ni  Ni277  1  0.839031  0.834254  0.563421  1
  Ni  Ni278  1  0.339031  0.334254  0.563421  1
  Ni  Ni279  1  0.285439  0.619395  0.608694  1
  Ni  Ni280  1  0.785439  0.119395  0.608694  1
  Ni  Ni281  1  0.955465  0.544682  0.677710  1
  Ni  Ni282  1  0.455465  0.044682  0.677710  1
  Ni  Ni283  1  0.405257  0.359322  0.719882  1
  Ni  Ni284  1  0.905257  0.859322  0.719882  1
  Ni  Ni285  1  0.093877  0.596633  0.667931  1
  Ni  Ni286  1  0.593877  0.096633  0.667931  1
  Ni  Ni287  1  0.542018  0.389840  0.709292  1
  Ni  Ni288  1  0.042018  0.889840  0.709292  1
  Ni  Ni289  1  0.868975  0.706825  0.644488  1
  Ni  Ni290  1  0.368975  0.206825  0.644488  1
  Ni  Ni291  1  0.315576  0.498373  0.688259  1
  Ni  Ni292  1  0.815576  0.998373  0.688259  1
  Ni  Ni293  1  0.955245  0.289963  0.678889  1
  Ni  Ni294  1  0.455245  0.789963  0.678889  1
  Ni  Ni295  1  0.507238  0.507208  0.632098  1
  Ni  Ni296  1  0.007238  0.007208  0.632098  1
  Ni  Ni297  1  0.906740  0.098347  0.719101  1
  Ni  Ni298  1  0.406740  0.598347  0.719101  1
  Ni  Ni299  1  0.456808  0.296979  0.676616  1
  Ni  Ni300  1  0.956808  0.796979  0.676616  1
  Ni  Ni301  1  0.678978  0.440407  0.698783  1
  Ni  Ni302  1  0.178978  0.940407  0.698783  1
  Ni  Ni303  1  0.230818  0.654232  0.654604  1
  Ni  Ni304  1  0.730818  0.154232  0.654604  1
  Ni  Ni305  1  0.815233  0.494071  0.687591  1
  Ni  Ni306  1  0.315233  0.994071  0.687591  1
  Ni  Ni307  1  0.368713  0.707306  0.643661  1
  Ni  Ni308  1  0.868713  0.207306  0.643661  1
  Ni  Ni309  1  0.043618  0.382942  0.708550  1
  Ni  Ni310  1  0.543618  0.882942  0.708550  1
  Ni  Ni311  1  0.592481  0.600614  0.666660  1
  Ni  Ni312  1  0.092481  0.100614  0.666660  1
  Ni  Ni313  1  0.675137  0.190307  0.699905  1
  Ni  Ni314  1  0.175137  0.690307  0.699905  1
  Ni  Ni315  1  0.230474  0.399568  0.657730  1
  Ni  Ni316  1  0.730474  0.899568  0.657730  1
  Ni  Ni317  1  0.731624  0.406416  0.653769  1
  Ni  Ni318  1  0.231624  0.906416  0.653769  1
  Ni  Ni319  1  0.179461  0.192693  0.697673  1
  Ni  Ni320  1  0.679461  0.692693  0.697673  1
