# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.70073998
_cell_length_b   10.72256843
_cell_length_c   54.80140014
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.37300909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al120 Ni200'
_cell_volume   8044.24919629
_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  0.434833  0.199572  0.277727  1
  Al  Al2  1  0.012073  0.988540  0.321583  1
  Al  Al3  1  0.974425  0.722942  0.272895  1
  Al  Al4  1  0.547923  0.506263  0.318474  1
  Al  Al5  1  0.534406  0.234861  0.323816  1
  Al  Al6  1  0.958182  0.451261  0.277065  1
  Al  Al7  1  0.039277  0.738286  0.321988  1
  Al  Al8  1  0.459367  0.950337  0.278335  1
  Al  Al9  1  0.608142  0.053721  0.360594  1
  Al  Al10  1  0.030045  0.262868  0.318806  1
  Al  Al11  1  0.110853  0.555546  0.360659  1
  Al  Al12  1  0.525279  0.760438  0.320091  1
  Al  Al13  1  0.297981  0.881832  0.344120  1
  Al  Al14  1  0.735545  0.098275  0.294268  1
  Al  Al15  1  0.843139  0.404667  0.338540  1
  Al  Al16  1  0.266122  0.613427  0.291389  1
  Al  Al17  1  0.246748  0.340807  0.298632  1
  Al  Al18  1  0.830205  0.133990  0.342523  1
  Al  Al19  1  0.751018  0.842798  0.297848  1
  Al  Al20  1  0.324994  0.631625  0.343957  1
  Al  Al21  1  0.316356  0.154856  0.340282  1
  Al  Al22  1  0.749021  0.373000  0.292921  1
  Al  Al23  1  0.817252  0.655057  0.339185  1
  Al  Al24  1  0.243131  0.870134  0.293771  1
  Al  Al25  1  0.593548  0.781264  0.366542  1
  Al  Al26  1  0.169808  0.570784  0.412599  1
  Al  Al27  1  0.136459  0.303120  0.361803  1
  Al  Al28  1  0.716802  0.093552  0.406875  1
  Al  Al29  1  0.700467  0.821897  0.412098  1
  Al  Al30  1  0.118835  0.028996  0.366662  1
  Al  Al31  1  0.195560  0.319591  0.412946  1
  Al  Al32  1  0.617596  0.528971  0.366547  1
  Al  Al33  1  0.767684  0.635790  0.453721  1
  Al  Al34  1  0.186183  0.842918  0.407967  1
  Al  Al35  1  0.270493  0.137123  0.453716  1
  Al  Al36  1  0.691373  0.345207  0.407229  1
  Al  Al37  1  0.462026  0.467650  0.435536  1
  Al  Al38  1  0.879423  0.673894  0.389479  1
  Al  Al39  1  0.006170  0.989334  0.430518  1
  Al  Al40  1  0.424748  0.197288  0.385652  1
  Al  Al41  1  0.407476  0.924651  0.390770  1
  Al  Al42  1  0.989899  0.716530  0.435305  1
  Al  Al43  1  0.903842  0.422075  0.390049  1
  Al  Al44  1  0.487500  0.215517  0.435820  1
  Al  Al45  1  0.477693  0.740102  0.430654  1
  Al  Al46  1  0.896409  0.947384  0.384740  1
  Al  Al47  1  0.980868  0.241856  0.430246  1
  Al  Al48  1  0.397906  0.447842  0.385561  1
  Al  Al49  1  0.750824  0.362685  0.458620  1
  Al  Al50  1  0.332248  0.155242  0.504394  1
  Al  Al51  1  0.296523  0.885613  0.453858  1
  Al  Al52  1  0.876786  0.677404  0.499432  1
  Al  Al53  1  0.860853  0.405051  0.504308  1
  Al  Al54  1  0.279953  0.612976  0.458682  1
  Al  Al55  1  0.357511  0.903259  0.504702  1
  Al  Al56  1  0.776269  0.110518  0.458790  1
  Al  Al57  1  0.929530  0.220065  0.545081  1
  Al  Al58  1  0.348563  0.427950  0.499504  1
  Al  Al59  1  0.433275  0.722702  0.545116  1
  Al  Al60  1  0.851744  0.929582  0.499090  1
  Al  Al61  1  0.622043  0.051023  0.527628  1
  Al  Al62  1  0.041285  0.258980  0.481343  1
  Al  Al63  1  0.168323  0.573884  0.522298  1
  Al  Al64  1  0.587328  0.782128  0.476358  1
  Al  Al65  1  0.570748  0.509327  0.481240  1
  Al  Al66  1  0.151936  0.301555  0.527142  1
  Al  Al67  1  0.067056  0.007398  0.481507  1
  Al  Al68  1  0.646898  0.798828  0.527868  1
  Al  Al69  1  0.638247  0.323375  0.522772  1
  Al  Al70  1  0.057896  0.531512  0.476504  1
  Al  Al71  1  0.142505  0.825451  0.522114  1
  Al  Al72  1  0.562321  0.034222  0.476127  1
  Al  Al73  1  0.913113  0.947440  0.549801  1
  Al  Al74  1  0.492472  0.739989  0.597137  1
  Al  Al75  1  0.459017  0.470714  0.545264  1
  Al  Al76  1  0.039540  0.262138  0.591016  1
  Al  Al77  1  0.023612  0.990265  0.595504  1
  Al  Al78  1  0.441553  0.197053  0.550198  1
  Al  Al79  1  0.518062  0.487886  0.596811  1
  Al  Al80  1  0.939009  0.695755  0.549972  1
  Al  Al81  1  0.091153  0.804656  0.636276  1
  Al  Al82  1  0.508446  0.011059  0.592119  1
  Al  Al83  1  0.592799  0.304774  0.638012  1
  Al  Al84  1  0.013984  0.513011  0.590607  1
  Al  Al85  1  0.784448  0.635073  0.618181  1
  Al  Al86  1  0.203175  0.843095  0.573139  1
  Al  Al87  1  0.331622  0.160184  0.614185  1
  Al  Al88  1  0.746516  0.364628  0.568536  1
  Al  Al89  1  0.731186  0.092621  0.573332  1
  Al  Al90  1  0.313151  0.885386  0.619226  1
  Al  Al91  1  0.228773  0.590920  0.573435  1
  Al  Al92  1  0.810734  0.384816  0.618581  1
  Al  Al93  1  0.801245  0.907829  0.613127  1
  Al  Al94  1  0.220045  0.116811  0.568234  1
  Al  Al95  1  0.306175  0.411876  0.613821  1
  Al  Al96  1  0.721237  0.616991  0.568124  1
  Al  Al97  1  0.072904  0.528940  0.641628  1
  Al  Al98  1  0.664217  0.330753  0.686038  1
  Al  Al99  1  0.616526  0.052193  0.638383  1
  Al  Al100  1  0.197167  0.849355  0.680629  1
  Al  Al101  1  0.174595  0.569431  0.685573  1
  Al  Al102  1  0.600728  0.778983  0.643289  1
  Al  Al103  1  0.690096  0.077010  0.685303  1
  Al  Al104  1  0.098643  0.277024  0.642729  1
  Al  Al105  1  0.247141  0.371594  0.725972  1
  Al  Al106  1  0.674339  0.599230  0.680694  1
  Al  Al107  1  0.745296  0.873792  0.724100  1
  Al  Al108  1  0.169754  0.098077  0.680970  1
  Al  Al109  1  0.942192  0.218223  0.711035  1
  Al  Al110  1  0.367076  0.429568  0.664791  1
  Al  Al111  1  0.462400  0.730757  0.709143  1
  Al  Al112  1  0.910905  0.948613  0.658878  1
  Al  Al113  1  0.894920  0.679140  0.662896  1
  Al  Al114  1  0.453211  0.460207  0.710717  1
  Al  Al115  1  0.391241  0.174964  0.664949  1
  Al  Al116  1  0.966719  0.962169  0.709134  1
  Al  Al117  1  0.966362  0.496621  0.704329  1
  Al  Al118  1  0.379247  0.699436  0.661140  1
  Al  Al119  1  0.448063  0.984960  0.705305  1
  Al  Al120  1  0.883314  0.199849  0.659323  1
  Ni  Ni121  1  0.255209  0.112305  0.297072  1
  Ni  Ni122  1  0.834506  0.900362  0.338921  1
  Ni  Ni123  1  0.728232  0.598062  0.299519  1
  Ni  Ni124  1  0.309760  0.387606  0.342266  1
  Ni  Ni125  1  0.096128  0.145468  0.289317  1
  Ni  Ni126  1  0.681677  0.942944  0.329656  1
  Ni  Ni127  1  0.594056  0.669421  0.287543  1
  Ni  Ni128  1  0.178820  0.460293  0.326595  1
  Ni  Ni129  1  0.172586  0.956987  0.327751  1
  Ni  Ni130  1  0.594941  0.165248  0.287600  1
  Ni  Ni131  1  0.683267  0.435167  0.330561  1
  Ni  Ni132  1  0.103331  0.646132  0.287875  1
  Ni  Ni133  1  0.164422  0.175926  0.328519  1
  Ni  Ni134  1  0.591398  0.384972  0.288398  1
  Ni  Ni135  1  0.672807  0.709188  0.332279  1
  Ni  Ni136  1  0.097888  0.923952  0.289812  1
  Ni  Ni137  1  0.399992  0.318480  0.310395  1
  Ni  Ni138  1  0.982699  0.113356  0.354935  1
  Ni  Ni139  1  0.894452  0.791581  0.305235  1
  Ni  Ni140  1  0.469591  0.580789  0.350772  1
  Ni  Ni141  1  0.540895  1.001592  0.318032  1
  Ni  Ni142  1  0.974626  0.230037  0.277535  1
  Ni  Ni143  1  0.020388  0.492691  0.319342  1
  Ni  Ni144  1  0.449168  0.716985  0.281148  1
  Ni  Ni145  1  0.388935  0.042230  0.311275  1
  Ni  Ni146  1  0.967492  0.830856  0.355490  1
  Ni  Ni147  1  0.889339  0.567809  0.305591  1
  Ni  Ni148  1  0.462473  0.352836  0.351629  1
  Ni  Ni149  1  0.457100  0.850307  0.352512  1
  Ni  Ni150  1  0.889440  0.061496  0.304740  1
  Ni  Ni151  1  0.972713  0.337283  0.355468  1
  Ni  Ni152  1  0.394882  0.543323  0.309800  1
  Ni  Ni153  1  0.448615  0.067264  0.352760  1
  Ni  Ni154  1  0.879426  0.284185  0.306322  1
  Ni  Ni155  1  0.960711  0.600519  0.356533  1
  Ni  Ni156  1  0.380373  0.809620  0.311893  1
  Ni  Ni157  1  0.108738  0.423555  0.287757  1
  Ni  Ni158  1  0.692988  0.211710  0.327730  1
  Ni  Ni159  1  0.601466  0.894794  0.286631  1
  Ni  Ni160  1  0.186738  0.685692  0.324499  1
  Ni  Ni161  1  0.414560  0.691707  0.386344  1
  Ni  Ni162  1  0.994866  0.483827  0.431740  1
  Ni  Ni163  1  0.890783  0.180161  0.388176  1
  Ni  Ni164  1  0.472555  0.973129  0.434556  1
  Ni  Ni165  1  0.259965  0.728309  0.378871  1
  Ni  Ni166  1  0.839886  0.520106  0.424583  1
  Ni  Ni167  1  0.755600  0.247736  0.371646  1
  Ni  Ni168  1  0.335191  0.040578  0.419437  1
  Ni  Ni169  1  0.330387  0.537675  0.419890  1
  Ni  Ni170  1  0.751648  0.747955  0.372989  1
  Ni  Ni171  1  0.845748  0.023325  0.423821  1
  Ni  Ni172  1  0.264432  0.230780  0.378416  1
  Ni  Ni173  1  0.321433  0.758020  0.420487  1
  Ni  Ni174  1  0.744057  0.969843  0.372656  1
  Ni  Ni175  1  0.832306  0.289403  0.425901  1
  Ni  Ni176  1  0.252624  0.499994  0.379862  1
  Ni  Ni177  1  0.563678  0.905227  0.399955  1
  Ni  Ni178  1  0.144554  0.696938  0.446320  1
  Ni  Ni179  1  0.053157  0.375032  0.394435  1
  Ni  Ni180  1  0.635314  0.165632  0.440100  1
  Ni  Ni181  1  0.705430  0.588666  0.408680  1
  Ni  Ni182  1  0.124370  0.797112  0.363034  1
  Ni  Ni183  1  0.180927  0.076280  0.411703  1
  Ni  Ni184  1  0.601643  0.286198  0.365954  1
  Ni  Ni185  1  0.550633  0.624896  0.401130  1
  Ni  Ni186  1  0.130754  0.416474  0.447443  1
  Ni  Ni187  1  0.046332  0.144881  0.395843  1
  Ni  Ni188  1  0.627534  0.936590  0.441342  1
  Ni  Ni189  1  0.622390  0.434337  0.442151  1
  Ni  Ni190  1  0.040466  0.640446  0.396092  1
  Ni  Ni191  1  0.135859  0.918597  0.446880  1
  Ni  Ni192  1  0.556163  0.126336  0.400507  1
  Ni  Ni193  1  0.614042  0.656799  0.442598  1
  Ni  Ni194  1  0.031829  0.862740  0.396831  1
  Ni  Ni195  1  0.123132  0.186630  0.448588  1
  Ni  Ni196  1  0.544293  0.396159  0.402399  1
  Ni  Ni197  1  0.273080  0.008396  0.377943  1
  Ni  Ni198  1  0.854129  0.800526  0.423220  1
  Ni  Ni199  1  0.762752  0.476389  0.371364  1
  Ni  Ni200  1  0.342742  0.269835  0.418285  1
  Ni  Ni201  1  0.576300  0.276653  0.477770  1
  Ni  Ni202  1  0.157153  0.068525  0.523383  1
  Ni  Ni203  1  0.052239  0.764307  0.480221  1
  Ni  Ni204  1  0.633046  0.556238  0.526162  1
  Ni  Ni205  1  0.421279  0.312395  0.470279  1
  Ni  Ni206  1  1.002368  0.104540  0.516026  1
  Ni  Ni207  1  0.917255  0.832211  0.464560  1
  Ni  Ni208  1  0.498031  0.624944  0.510398  1
  Ni  Ni209  1  0.492830  0.121601  0.511150  1
  Ni  Ni210  1  0.911604  0.329495  0.465231  1
  Ni  Ni211  1  0.007461  0.607033  0.515386  1
  Ni  Ni212  1  0.426590  0.815207  0.469765  1
  Ni  Ni213  1  0.484344  0.343860  0.511623  1
  Ni  Ni214  1  0.903358  0.551620  0.465770  1
  Ni  Ni215  1  0.994940  0.874742  0.517089  1
  Ni  Ni216  1  0.414246  0.082982  0.471561  1
  Ni  Ni217  1  0.724613  0.488619  0.492322  1
  Ni  Ni218  1  0.306659  0.282090  0.537961  1
  Ni  Ni219  1  0.214575  0.958131  0.486529  1
  Ni  Ni220  1  0.794849  0.749613  0.532357  1
  Ni  Ni221  1  0.866130  0.172105  0.500621  1
  Ni  Ni222  1  0.285767  0.380182  0.454836  1
  Ni  Ni223  1  0.343311  0.660963  0.503224  1
  Ni  Ni224  1  0.762206  0.868189  0.457143  1
  Ni  Ni225  1  0.711280  0.208267  0.493520  1
  Ni  Ni226  1  0.292199  1.000358  0.539185  1
  Ni  Ni227  1  0.207191  0.728519  0.487636  1
  Ni  Ni228  1  0.787849  0.520009  0.533687  1
  Ni  Ni229  1  0.782762  0.017919  0.534147  1
  Ni  Ni230  1  0.202033  0.225848  0.488255  1
  Ni  Ni231  1  0.298155  0.503774  0.538542  1
  Ni  Ni232  1  0.716235  0.711105  0.492790  1
  Ni  Ni233  1  0.774530  0.240115  0.534810  1
  Ni  Ni234  1  0.193495  0.447112  0.488741  1
  Ni  Ni235  1  0.285080  0.770642  0.540429  1
  Ni  Ni236  1  0.703721  0.978510  0.494705  1
  Ni  Ni237  1  0.434895  0.593258  0.469137  1
  Ni  Ni238  1  0.016013  0.385691  0.514929  1
  Ni  Ni239  1  0.924378  0.061988  0.463311  1
  Ni  Ni240  1  0.505625  0.854753  0.509230  1
  Ni  Ni241  1  0.736578  0.859924  0.569397  1
  Ni  Ni242  1  0.318711  0.652601  0.615743  1
  Ni  Ni243  1  0.214897  0.349372  0.571998  1
  Ni  Ni244  1  0.794113  0.140537  0.617495  1
  Ni  Ni245  1  0.581557  0.896743  0.562734  1
  Ni  Ni246  1  0.163615  0.687405  0.607759  1
  Ni  Ni247  1  0.079021  0.416404  0.556182  1
  Ni  Ni248  1  0.657938  0.206788  0.603193  1
  Ni  Ni249  1  0.652818  0.706606  0.603552  1
  Ni  Ni250  1  0.073982  0.914603  0.556653  1
  Ni  Ni251  1  0.169925  0.193330  0.607354  1
  Ni  Ni252  1  0.586630  0.398177  0.561916  1
  Ni  Ni253  1  0.645062  0.928971  0.604355  1
  Ni  Ni254  1  0.065221  0.136289  0.557287  1
  Ni  Ni255  1  0.156851  0.457615  0.609236  1
  Ni  Ni256  1  0.573815  0.667680  0.563949  1
  Ni  Ni257  1  0.887460  0.074322  0.583219  1
  Ni  Ni258  1  0.466294  0.864356  0.631465  1
  Ni  Ni259  1  0.377578  0.544165  0.577944  1
  Ni  Ni260  1  0.956274  0.332698  0.623739  1
  Ni  Ni261  1  0.028432  0.756236  0.591659  1
  Ni  Ni262  1  0.447191  0.964760  0.546771  1
  Ni  Ni263  1  0.504448  0.244644  0.595424  1
  Ni  Ni264  1  0.923512  0.452558  0.548936  1
  Ni  Ni265  1  0.873631  0.792204  0.584177  1
  Ni  Ni266  1  0.454621  0.585655  0.632147  1
  Ni  Ni267  1  0.369818  0.313652  0.579175  1
  Ni  Ni268  1  0.949315  0.104634  0.624607  1
  Ni  Ni269  1  0.945437  0.601754  0.624988  1
  Ni  Ni270  1  0.363417  0.809427  0.580031  1
  Ni  Ni271  1  0.458920  0.085638  0.631325  1
  Ni  Ni272  1  0.878456  0.295019  0.583948  1
  Ni  Ni273  1  0.936685  0.823610  0.625209  1
  Ni  Ni274  1  0.354866  0.031670  0.580536  1
  Ni  Ni275  1  0.447813  0.356198  0.632740  1
  Ni  Ni276  1  0.866426  0.562707  0.585417  1
  Ni  Ni277  1  0.594777  0.175434  0.561510  1
  Ni  Ni278  1  0.178821  0.971919  0.606459  1
  Ni  Ni279  1  0.086423  0.646056  0.554998  1
  Ni  Ni280  1  0.664396  0.435948  0.601775  1
  Ni  Ni281  1  0.899776  0.447650  0.661314  1
  Ni  Ni282  1  0.475909  0.234318  0.704308  1
  Ni  Ni283  1  0.373048  0.931378  0.664581  1
  Ni  Ni284  1  0.962028  0.727282  0.705249  1
  Ni  Ni285  1  0.747994  0.482851  0.652870  1
  Ni  Ni286  1  0.317805  0.265901  0.697104  1
  Ni  Ni287  1  0.241660  0.005654  0.647424  1
  Ni  Ni288  1  0.822236  0.786372  0.692443  1
  Ni  Ni289  1  0.819600  0.299811  0.692935  1
  Ni  Ni290  1  0.235911  0.496066  0.648912  1
  Ni  Ni291  1  0.312516  0.767985  0.697971  1
  Ni  Ni292  1  0.751657  0.981701  0.651671  1
  Ni  Ni293  1  0.811667  0.526759  0.694670  1
  Ni  Ni294  1  0.226169  0.717513  0.649009  1
  Ni  Ni295  1  0.305885  0.043419  0.699948  1
  Ni  Ni296  1  0.739786  0.253605  0.653660  1
  Ni  Ni297  1  0.046781  0.660013  0.674073  1
  Ni  Ni298  1  0.607771  0.445494  0.714621  1
  Ni  Ni299  1  0.538538  0.125587  0.672692  1
  Ni  Ni300  1  0.117805  0.922566  0.712694  1
  Ni  Ni301  1  0.186796  0.339123  0.683587  1
  Ni  Ni302  1  0.608340  0.547231  0.638442  1
  Ni  Ni303  1  0.669618  0.831644  0.684705  1
  Ni  Ni304  1  0.084920  0.036611  0.640181  1
  Ni  Ni305  1  0.028454  0.370326  0.676494  1
  Ni  Ni306  1  0.601473  0.156065  0.714736  1
  Ni  Ni307  1  0.529151  0.892441  0.674708  1
  Ni  Ni308  1  0.113172  0.701255  0.712936  1
  Ni  Ni309  1  0.102570  0.183088  0.714707  1
  Ni  Ni310  1  0.525326  0.397686  0.673852  1
  Ni  Ni311  1  0.602688  0.669759  0.714741  1
  Ni  Ni312  1  0.038579  0.879776  0.675008  1
  Ni  Ni313  1  0.097777  0.400268  0.714896  1
  Ni  Ni314  1  0.515193  0.622365  0.676244  1
  Ni  Ni315  1  0.599654  0.928298  0.715428  1
  Ni  Ni316  1  0.020324  0.144487  0.678291  1
  Ni  Ni317  1  0.759899  0.763490  0.651198  1
  Ni  Ni318  1  0.322090  0.542805  0.696742  1
  Ni  Ni319  1  0.249997  0.234609  0.646887  1
  Ni  Ni320  1  0.830671  0.017212  0.691178  1
