# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82202558
_cell_length_b   24.71005496
_cell_length_c   49.41849850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al108 Ni180'
_cell_volume   7109.47229894
_cell_formula_units_Z   36
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  0.098694  0.372023  0.301973  1
  Al  Al2  1  0.992184  0.718787  0.324392  1
  Al  Al3  1  1.006400  0.016490  0.270799  1
  Al  Al4  1  1.044750  0.478280  0.324433  1
  Al  Al5  1  1.037754  0.775115  0.273034  1
  Al  Al6  1  0.050424  0.126885  0.300353  1
  Al  Al7  1  0.049040  0.260714  0.275419  1
  Al  Al8  1  1.039330  0.611212  0.304765  1
  Al  Al9  1  1.044162  0.907244  0.253451  1
  Al  Al10  1  0.508010  0.165872  0.248399  1
  Al  Al11  1  0.577846  0.520758  0.270541  1
  Al  Al12  1  0.490224  0.870256  0.302527  1
  Al  Al13  1  0.554014  0.275716  0.272864  1
  Al  Al14  1  0.544683  0.626590  0.300470  1
  Al  Al15  1  0.545748  0.977585  0.324083  1
  Al  Al16  1  0.546323  0.410317  0.253343  1
  Al  Al17  1  0.543307  0.758348  0.276075  1
  Al  Al18  1  0.547174  0.111885  0.302427  1
  Al  Al19  1  0.989838  0.418533  0.376023  1
  Al  Al20  1  0.099420  0.767226  0.401234  1
  Al  Al21  1  0.101616  0.068233  0.349050  1
  Al  Al22  1  1.040909  0.525051  0.399977  1
  Al  Al23  1  0.044911  0.825380  0.348583  1
  Al  Al24  1  0.048144  0.176163  0.374980  1
  Al  Al25  1  1.043280  0.311447  0.350937  1
  Al  Al26  1  0.045569  0.660103  0.377574  1
  Al  Al27  1  0.052331  0.960888  0.323071  1
  Al  Al28  1  0.600529  0.219948  0.324645  1
  Al  Al29  1  0.487311  0.568170  0.349487  1
  Al  Al30  1  0.599663  0.918607  0.376001  1
  Al  Al31  1  0.546331  0.325989  0.348680  1
  Al  Al32  1  0.540487  0.676355  0.375700  1
  Al  Al33  1  0.548467  0.025179  0.399712  1
  Al  Al34  1  0.535825  0.461444  0.323419  1
  Al  Al35  1  0.546482  0.810958  0.351124  1
  Al  Al36  1  0.545275  0.160351  0.377579  1
  Al  Al37  1  0.101281  0.466230  0.453238  1
  Al  Al38  1  0.989001  0.815609  0.478564  1
  Al  Al39  1  0.989618  0.116461  0.426924  1
  Al  Al40  1  0.047706  0.573416  0.477832  1
  Al  Al41  1  0.046193  0.874614  0.426138  1
  Al  Al42  1  1.042898  0.223957  0.451946  1
  Al  Al43  1  0.047315  0.358878  0.428451  1
  Al  Al44  1  1.041907  0.708505  0.454306  1
  Al  Al45  1  1.041611  0.009570  0.402818  1
  Al  Al46  1  0.490233  0.267287  0.401454  1
  Al  Al47  1  0.599269  0.616707  0.427312  1
  Al  Al48  1  0.487900  0.966410  0.453242  1
  Al  Al49  1  0.543195  0.374455  0.426221  1
  Al  Al50  1  0.546998  0.724140  0.451965  1
  Al  Al51  1  0.541268  0.073473  0.477776  1
  Al  Al52  1  0.547437  0.509486  0.403087  1
  Al  Al53  1  0.542561  0.859008  0.428406  1
  Al  Al54  1  0.547172  0.208282  0.454126  1
  Al  Al55  1  0.990905  0.514466  0.530293  1
  Al  Al56  1  0.099702  0.863634  0.555799  1
  Al  Al57  1  0.100711  0.164698  0.504104  1
  Al  Al58  1  1.042673  0.621580  0.554460  1
  Al  Al59  1  1.042087  0.922798  0.503094  1
  Al  Al60  1  0.046469  0.272035  0.528868  1
  Al  Al61  1  1.043052  0.407102  0.505616  1
  Al  Al62  1  0.047017  0.756627  0.531206  1
  Al  Al63  1  0.047435  0.057589  0.479515  1
  Al  Al64  1  0.600504  0.315478  0.478685  1
  Al  Al65  1  0.488923  0.664946  0.504264  1
  Al  Al66  1  0.598920  0.014589  0.530497  1
  Al  Al67  1  0.547527  0.422619  0.503035  1
  Al  Al68  1  0.542372  0.772211  0.528909  1
  Al  Al69  1  0.546886  0.121405  0.554508  1
  Al  Al70  1  0.542389  0.557711  0.479667  1
  Al  Al71  1  0.546168  0.907274  0.505586  1
  Al  Al72  1  0.542682  0.256444  0.531244  1
  Al  Al73  1  0.103649  0.563053  0.608410  1
  Al  Al74  1  0.989917  0.911209  0.631983  1
  Al  Al75  1  0.988918  0.212361  0.581309  1
  Al  Al76  1  0.053285  0.669700  0.633993  1
  Al  Al77  1  1.043911  0.970963  0.580502  1
  Al  Al78  1  1.042234  0.320101  0.606188  1
  Al  Al79  1  0.048057  0.454738  0.581613  1
  Al  Al80  1  1.044358  0.805183  0.608654  1
  Al  Al81  1  1.039716  0.105715  0.557571  1
  Al  Al82  1  0.489709  0.363732  0.555991  1
  Al  Al83  1  0.600162  0.712420  0.581460  1
  Al  Al84  1  0.485893  0.062967  0.608598  1
  Al  Al85  1  0.544448  0.471192  0.580417  1
  Al  Al86  1  0.547281  0.819522  0.606405  1
  Al  Al87  1  0.537174  0.170241  0.633977  1
  Al  Al88  1  0.549599  0.605946  0.557503  1
  Al  Al89  1  0.542279  0.954845  0.582061  1
  Al  Al90  1  0.543268  0.305785  0.608654  1
  Al  Al91  1  1.010129  0.611455  0.687356  1
  Al  Al92  1  0.092118  0.963423  0.708548  1
  Al  Al93  1  0.097933  0.261135  0.654746  1
  Al  Al94  1  1.044136  0.722369  0.704110  1
  Al  Al95  1  0.045585  0.019716  0.653296  1
  Al  Al96  1  1.044202  0.372908  0.680784  1
  Al  Al97  1  0.045664  0.504407  0.658518  1
  Al  Al98  1  1.036582  0.855693  0.684104  1
  Al  Al99  1  1.042543  0.153616  0.633116  1
  Al  Al100  1  0.596771  0.412293  0.632389  1
  Al  Al101  1  0.491907  0.759689  0.655323  1
  Al  Al102  1  0.582566  0.114021  0.686989  1
  Al  Al103  1  0.546961  0.520379  0.651537  1
  Al  Al104  1  0.543342  0.871440  0.681541  1
  Al  Al105  1  0.544479  0.224532  0.703907  1
  Al  Al106  1  0.545418  0.652663  0.633119  1
  Al  Al107  1  0.538501  0.005093  0.659129  1
  Al  Al108  1  0.551314  0.356323  0.684004  1
  Ni  Ni109  1  0.527218  0.370237  0.298293  1
  Ni  Ni110  1  0.522824  0.664823  0.256179  1
  Ni  Ni111  1  0.576020  0.023440  0.276978  1
  Ni  Ni112  1  0.307262  0.288805  0.311733  1
  Ni  Ni113  1  0.271791  0.594726  0.266138  1
  Ni  Ni114  1  0.316734  0.950316  0.283763  1
  Ni  Ni115  1  0.276446  0.452425  0.283970  1
  Ni  Ni116  1  0.283438  0.787109  0.311846  1
  Ni  Ni117  1  0.291763  0.089460  0.265011  1
  Ni  Ni118  1  0.264476  0.342468  0.262275  1
  Ni  Ni119  1  0.252110  0.691337  0.288250  1
  Ni  Ni120  1  0.267912  0.040367  0.306377  1
  Ni  Ni121  1  0.838042  0.348215  0.267657  1
  Ni  Ni122  1  0.833451  0.688520  0.282661  1
  Ni  Ni123  1  0.831444  0.045028  0.313044  1
  Ni  Ni124  1  0.078510  0.167202  0.255587  1
  Ni  Ni125  1  1.013033  0.523774  0.277747  1
  Ni  Ni126  1  0.063040  0.868695  0.298496  1
  Ni  Ni127  1  0.817820  0.440483  0.287232  1
  Ni  Ni128  1  0.786529  0.801017  0.310377  1
  Ni  Ni129  1  0.798082  0.100603  0.263870  1
  Ni  Ni130  1  0.804408  0.302273  0.310043  1
  Ni  Ni131  1  0.815606  0.601434  0.264534  1
  Ni  Ni132  1  0.767423  0.937958  0.287012  1
  Ni  Ni133  1  0.771015  0.190101  0.283606  1
  Ni  Ni134  1  0.755372  0.544310  0.313422  1
  Ni  Ni135  1  0.749394  0.846425  0.268082  1
  Ni  Ni136  1  0.331569  0.195109  0.289992  1
  Ni  Ni137  1  0.321782  0.541364  0.306670  1
  Ni  Ni138  1  0.330766  0.840780  0.262616  1
  Ni  Ni139  1  0.566503  0.417551  0.376477  1
  Ni  Ni140  1  0.563073  0.718779  0.322980  1
  Ni  Ni141  1  0.529790  0.067612  0.349932  1
  Ni  Ni142  1  0.285929  0.349501  0.387349  1
  Ni  Ni143  1  0.289778  0.652274  0.337378  1
  Ni  Ni144  1  0.295588  0.986350  0.364203  1
  Ni  Ni145  1  0.293666  0.486205  0.364539  1
  Ni  Ni146  1  0.303608  0.849592  0.387359  1
  Ni  Ni147  1  0.307314  0.152072  0.337197  1
  Ni  Ni148  1  0.275584  0.397451  0.342997  1
  Ni  Ni149  1  0.269693  0.741153  0.358467  1
  Ni  Ni150  1  0.266373  0.094591  0.392150  1
  Ni  Ni151  1  0.810845  0.393539  0.333804  1
  Ni  Ni152  1  0.820628  0.745088  0.366739  1
  Ni  Ni153  1  0.826484  0.090124  0.383851  1
  Ni  Ni154  1  1.028715  0.219623  0.323254  1
  Ni  Ni155  1  0.059238  0.567788  0.350825  1
  Ni  Ni156  1  1.022854  0.917619  0.376465  1
  Ni  Ni157  1  0.773651  0.499213  0.361055  1
  Ni  Ni158  1  0.803421  0.835671  0.389848  1
  Ni  Ni159  1  0.803778  0.137778  0.339497  1
  Ni  Ni160  1  0.786778  0.335662  0.390006  1
  Ni  Ni161  1  0.779874  0.638288  0.340419  1
  Ni  Ni162  1  0.815745  -0.000807  0.360725  1
  Ni  Ni163  1  0.769607  0.245807  0.367150  1
  Ni  Ni164  1  0.762526  0.590222  0.384403  1
  Ni  Ni165  1  0.779445  0.892877  0.333968  1
  Ni  Ni166  1  0.320881  0.241649  0.358617  1
  Ni  Ni167  1  0.323032  0.594483  0.392626  1
  Ni  Ni168  1  0.313064  0.897562  0.343154  1
  Ni  Ni169  1  0.526244  0.466273  0.453056  1
  Ni  Ni170  1  0.525080  0.767540  0.401670  1
  Ni  Ni171  1  0.564677  0.116800  0.427010  1
  Ni  Ni172  1  0.303448  0.383651  0.467291  1
  Ni  Ni173  1  0.301622  0.685137  0.416368  1
  Ni  Ni174  1  0.288743  0.048624  0.438279  1
  Ni  Ni175  1  0.300828  0.548584  0.438552  1
  Ni  Ni176  1  0.285683  0.883826  0.467223  1
  Ni  Ni177  1  0.285706  0.185039  0.416034  1
  Ni  Ni178  1  0.267189  0.439949  0.410486  1
  Ni  Ni179  1  0.266410  0.793534  0.444069  1
  Ni  Ni180  1  0.267092  0.138543  0.461288  1
  Ni  Ni181  1  0.823601  0.444167  0.418984  1
  Ni  Ni182  1  0.822753  0.789357  0.435773  1
  Ni  Ni183  1  0.822457  0.142699  0.469732  1
  Ni  Ni184  1  0.065217  0.267520  0.401646  1
  Ni  Ni185  1  1.024251  0.616721  0.427256  1
  Ni  Ni186  1  0.062970  0.966453  0.452969  1
  Ni  Ni187  1  0.806366  0.534615  0.441635  1
  Ni  Ni188  1  0.784862  0.898045  0.464435  1
  Ni  Ni189  1  0.787958  0.199412  0.413219  1
  Ni  Ni190  1  0.804834  0.397815  0.464436  1
  Ni  Ni191  1  0.803661  0.699359  0.413321  1
  Ni  Ni192  1  0.782390  0.034677  0.441523  1
  Ni  Ni193  1  0.767389  0.289264  0.435931  1
  Ni  Ni194  1  0.767332  0.642901  0.470008  1
  Ni  Ni195  1  0.765622  0.944376  0.418973  1
  Ni  Ni196  1  0.322974  0.293480  0.444252  1
  Ni  Ni197  1  0.321509  0.638729  0.461600  1
  Ni  Ni198  1  0.322256  0.940192  0.410441  1
  Ni  Ni199  1  0.565810  0.514577  0.530302  1
  Ni  Ni200  1  0.563805  0.815641  0.478646  1
  Ni  Ni201  1  0.525523  0.164572  0.504370  1
  Ni  Ni202  1  0.290021  0.446197  0.541234  1
  Ni  Ni203  1  0.285583  0.747406  0.490093  1
  Ni  Ni204  1  0.300070  0.082458  0.519018  1
  Ni  Ni205  1  0.289118  0.582595  0.518960  1
  Ni  Ni206  1  0.300593  0.946251  0.541444  1
  Ni  Ni207  1  0.304440  0.247202  0.490114  1
  Ni  Ni208  1  0.268300  0.492502  0.495955  1
  Ni  Ni209  1  0.266474  0.837547  0.512984  1
  Ni  Ni210  1  0.266424  0.190815  0.546891  1
  Ni  Ni211  1  0.822919  0.488264  0.487552  1
  Ni  Ni212  1  0.822416  0.841798  0.521324  1
  Ni  Ni213  1  0.822920  0.186626  0.538361  1
  Ni  Ni214  1  1.025691  0.315425  0.478748  1
  Ni  Ni215  1  0.064049  0.664825  0.504438  1
  Ni  Ni216  1  1.023905  0.014465  0.530390  1
  Ni  Ni217  1  0.783980  0.596536  0.515835  1
  Ni  Ni218  1  0.804655  0.931924  0.544168  1
  Ni  Ni219  1  0.803101  0.233005  0.492946  1
  Ni  Ni220  1  0.783688  0.431948  0.544131  1
  Ni  Ni221  1  0.785867  0.733306  0.493043  1
  Ni  Ni222  1  0.805992  0.096385  0.515737  1
  Ni  Ni223  1  0.766508  0.341736  0.521478  1
  Ni  Ni224  1  0.766677  0.686953  0.538503  1
  Ni  Ni225  1  0.766160  0.988425  0.487647  1
  Ni  Ni226  1  0.323081  0.337436  0.513167  1
  Ni  Ni227  1  0.322857  0.691089  0.546995  1
  Ni  Ni228  1  0.321750  -0.007396  0.496093  1
  Ni  Ni229  1  0.531497  0.563326  0.606296  1
  Ni  Ni230  1  0.524735  0.863646  0.555486  1
  Ni  Ni231  1  0.565648  0.213394  0.580878  1
  Ni  Ni232  1  0.291775  0.478027  0.620408  1
  Ni  Ni233  1  0.304624  0.781537  0.570065  1
  Ni  Ni234  1  0.292507  0.144613  0.593031  1
  Ni  Ni235  1  0.296612  0.644803  0.592952  1
  Ni  Ni236  1  0.293887  0.978170  0.620530  1
  Ni  Ni237  1  0.284631  0.281459  0.569955  1
  Ni  Ni238  1  0.266879  0.536688  0.565119  1
  Ni  Ni239  1  0.271443  0.889221  0.598378  1
  Ni  Ni240  1  0.275342  0.233554  0.614171  1
  Ni  Ni241  1  0.828605  0.540897  0.573333  1
  Ni  Ni242  1  0.819130  0.884938  0.589855  1
  Ni  Ni243  1  0.809149  0.238497  0.623258  1
  Ni  Ni244  1  0.064055  0.363630  0.555540  1
  Ni  Ni245  1  1.023645  0.713517  0.580983  1
  Ni  Ni246  1  0.057596  0.063190  0.607064  1
  Ni  Ni247  1  0.816619  0.631822  0.596454  1
  Ni  Ni248  1  0.774880  -0.007012  0.618586  1
  Ni  Ni249  1  0.785993  0.295323  0.567460  1
  Ni  Ni250  1  0.816925  0.492656  0.617673  1
  Ni  Ni251  1  0.802805  0.795260  0.567339  1
  Ni  Ni252  1  0.772911  0.131701  0.596498  1
  Ni  Ni253  1  0.769199  0.385685  0.590308  1
  Ni  Ni254  1  0.779500  0.737721  0.623577  1
  Ni  Ni255  1  0.761193  0.040876  0.573687  1
  Ni  Ni256  1  0.318103  0.389778  0.598531  1
  Ni  Ni257  1  0.314323  0.733567  0.614485  1
  Ni  Ni258  1  0.322334  0.036492  0.565368  1
  Ni  Ni259  1  0.575089  0.609419  0.679536  1
  Ni  Ni260  1  0.564249  0.911521  0.634274  1
  Ni  Ni261  1  0.524905  0.262949  0.658718  1
  Ni  Ni262  1  0.329998  0.537764  0.690984  1
  Ni  Ni263  1  0.284225  0.843128  0.645474  1
  Ni  Ni264  1  0.277078  0.181619  0.673197  1
  Ni  Ni265  1  0.310609  0.680008  0.673288  1
  Ni  Ni266  1  0.271255  0.044295  0.692146  1
  Ni  Ni267  1  0.305195  0.344596  0.645342  1
  Ni  Ni268  1  0.265324  0.590284  0.651315  1
  Ni  Ni269  1  0.255893  0.935815  0.666376  1
  Ni  Ni270  1  0.258000  0.291161  0.694545  1
  Ni  Ni271  1  0.835730  0.586512  0.644688  1
  Ni  Ni272  1  0.827153  0.942032  0.673138  1
  Ni  Ni273  1  0.839108  0.285306  0.689160  1
  Ni  Ni274  1  1.023777  0.412129  0.634345  1
  Ni  Ni275  1  0.063455  0.761610  0.658979  1
  Ni  Ni276  1  1.011417  0.110774  0.679658  1
  Ni  Ni277  1  0.773721  0.691708  0.670148  1
  Ni  Ni278  1  0.823852  0.032471  0.692849  1
  Ni  Ni279  1  0.801472  0.330371  0.646784  1
  Ni  Ni280  1  0.757125  0.531486  0.691951  1
  Ni  Ni281  1  0.786008  0.829429  0.647161  1
  Ni  Ni282  1  0.816981  0.193982  0.670007  1
  Ni  Ni283  1  0.751489  0.443307  0.674071  1
  Ni  Ni284  1  0.751467  0.783999  0.689638  1
  Ni  Ni285  1  0.756120  0.086014  0.644608  1
  Ni  Ni286  1  0.339621  0.439424  0.668317  1
  Ni  Ni287  1  0.327560  0.789971  0.694960  1
  Ni  Ni288  1  0.322416  0.091502  0.651201  1
