# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05993938
_cell_length_b   23.17838919
_cell_length_c   49.66881293
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.90787319
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al216 Ni72'
_cell_volume   9207.95535435
_cell_formula_units_Z   72
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  0.649126  0.992447  0.311604  1
  Al  Al2  1  0.513425  0.298941  0.332192  1
  Al  Al3  1  0.738006  0.650475  0.285164  1
  Al  Al4  1  0.921950  0.052345  0.288111  1
  Al  Al5  1  0.779638  0.371266  0.311540  1
  Al  Al6  1  0.664506  0.695677  0.337486  1
  Al  Al7  1  0.912326  0.929387  0.281298  1
  Al  Al8  1  0.819487  0.242957  0.300999  1
  Al  Al9  1  0.709516  0.567280  0.326526  1
  Al  Al10  1  0.813730  0.065385  0.339040  1
  Al  Al11  1  0.045675  0.412272  0.286434  1
  Al  Al12  1  0.920238  0.739584  0.309383  1
  Al  Al13  1  0.280462  0.028257  0.293291  1
  Al  Al14  1  0.198114  0.366089  0.329788  1
  Al  Al15  1  0.426512  0.726379  0.281007  1
  Al  Al16  1  0.506701  0.209585  0.289851  1
  Al  Al17  1  0.404145  0.539078  0.310148  1
  Al  Al18  1  0.296566  0.862799  0.334735  1
  Al  Al19  1  0.541612  0.901612  0.293366  1
  Al  Al20  1  0.253667  0.235683  0.321766  1
  Al  Al21  1  0.130819  0.560440  0.343931  1
  Al  Al22  1  0.558652  0.085441  0.280909  1
  Al  Al23  1  0.450039  0.409359  0.301698  1
  Al  Al24  1  0.336901  0.733268  0.330966  1
  Al  Al25  1  0.128569  0.213297  0.275688  1
  Al  Al26  1  0.997073  0.546196  0.295462  1
  Al  Al27  1  0.866887  0.871550  0.324664  1
  Al  Al28  1  0.058890  0.971195  0.327481  1
  Al  Al29  1  0.298282  0.313959  0.279346  1
  Al  Al30  1  0.179150  0.648782  0.300813  1
  Al  Al31  1  0.506976  0.130812  0.335758  1
  Al  Al32  1  0.729022  0.481787  0.286572  1
  Al  Al33  1  0.605049  0.796949  0.311050  1
  Al  Al34  1  0.029379  0.147848  0.320343  1
  Al  Al35  1  0.929335  0.461656  0.341366  1
  Al  Al36  1  0.139037  0.816350  0.292934  1
  Al  Al37  1  0.296266  0.946621  0.381404  1
  Al  Al38  1  0.171035  0.271469  0.410924  1
  Al  Al39  1  0.399633  0.621308  0.357365  1
  Al  Al40  1  0.543172  0.019906  0.362648  1
  Al  Al41  1  0.438141  0.346664  0.387629  1
  Al  Al42  1  0.319627  0.669136  0.413274  1
  Al  Al43  1  0.591207  0.893077  0.351596  1
  Al  Al44  1  0.482297  0.214979  0.377340  1
  Al  Al45  1  0.365609  0.539588  0.402657  1
  Al  Al46  1  0.465519  0.035528  0.414862  1
  Al  Al47  1  0.692751  0.386997  0.362014  1
  Al  Al48  1  0.573531  0.711572  0.388597  1
  Al  Al49  1  0.990591  0.015904  0.380785  1
  Al  Al50  1  0.849909  0.338557  0.405976  1
  Al  Al51  1  0.078951  0.691428  0.354188  1
  Al  Al52  1  0.179242  0.188021  0.366691  1
  Al  Al53  1  0.058621  0.510471  0.390198  1
  Al  Al54  1  0.945304  0.834898  0.416544  1
  Al  Al55  1  0.027887  0.884542  0.370091  1
  Al  Al56  1  0.896736  0.209457  0.396073  1
  Al  Al57  1  0.783529  0.533223  0.421356  1
  Al  Al58  1  0.230410  0.064145  0.346243  1
  Al  Al59  1  0.103838  0.382231  0.380554  1
  Al  Al60  1  0.991737  0.705224  0.406273  1
  Al  Al61  1  0.758330  0.193012  0.347498  1
  Al  Al62  1  0.643419  0.517406  0.372644  1
  Al  Al63  1  0.534241  0.842055  0.399206  1
  Al  Al64  1  0.724438  0.941323  0.400907  1
  Al  Al65  1  0.952260  0.289781  0.348345  1
  Al  Al66  1  0.834400  0.616301  0.373608  1
  Al  Al67  1  0.143189  0.104494  0.411089  1
  Al  Al68  1  0.368279  0.455755  0.358099  1
  Al  Al69  1  0.251467  0.780143  0.384039  1
  Al  Al70  1  0.709436  0.107636  0.394183  1
  Al  Al71  1  0.593054  0.433718  0.420911  1
  Al  Al72  1  0.819122  0.785617  0.367636  1
  Al  Al73  1  0.943962  0.918139  0.461489  1
  Al  Al74  1  0.829902  0.242061  0.487825  1
  Al  Al75  1  0.058599  0.594096  0.435577  1
  Al  Al76  1  0.207542  0.993874  0.439241  1
  Al  Al77  1  0.092463  0.317248  0.465264  1
  Al  Al78  1  0.977713  0.641295  0.490722  1
  Al  Al79  1  0.254098  0.863192  0.428635  1
  Al  Al80  1  0.138798  0.187626  0.455015  1
  Al  Al81  1  0.023939  0.511485  0.480456  1
  Al  Al82  1  0.118682  0.007516  0.491672  1
  Al  Al83  1  0.346001  0.360076  0.439925  1
  Al  Al84  1  0.233043  0.683858  0.465657  1
  Al  Al85  1  0.623152  0.986284  0.458081  1
  Al  Al86  1  0.509464  0.310271  0.483729  1
  Al  Al87  1  0.738008  0.662199  0.431715  1
  Al  Al88  1  0.832048  0.158617  0.442793  1
  Al  Al89  1  0.716747  0.482693  0.468606  1
  Al  Al90  1  0.602006  0.806670  0.494697  1
  Al  Al91  1  0.669622  0.857011  0.447675  1
  Al  Al92  1  0.555526  0.180891  0.473549  1
  Al  Al93  1  0.439440  0.504920  0.498927  1
  Al  Al94  1  0.878675  0.028640  0.432705  1
  Al  Al95  1  0.762748  0.353091  0.458396  1
  Al  Al96  1  0.648001  0.676765  0.484089  1
  Al  Al97  1  0.417638  0.165356  0.424388  1
  Al  Al98  1  0.300374  0.489237  0.450055  1
  Al  Al99  1  0.187079  0.813037  0.475935  1
  Al  Al100  1  0.376263  0.912845  0.476706  1
  Al  Al101  1  0.604017  0.265507  0.425001  1
  Al  Al102  1  0.490156  0.588812  0.450574  1
  Al  Al103  1  0.797061  0.075650  0.487836  1
  Al  Al104  1  0.024173  0.427979  0.435546  1
  Al  Al105  1  0.911339  0.751912  0.461572  1
  Al  Al106  1  0.365574  0.081191  0.472779  1
  Al  Al107  1  0.250444  0.404971  0.498430  1
  Al  Al108  1  0.479931  0.757228  0.446851  1
  Al  Al109  1  0.600629  0.889985  0.539519  1
  Al  Al110  1  0.487795  0.213918  0.565544  1
  Al  Al111  1  0.714907  0.566247  0.513254  1
  Al  Al112  1  0.863967  0.965131  0.517002  1
  Al  Al113  1  0.749220  0.288805  0.542694  1
  Al  Al114  1  0.633293  0.613257  0.568386  1
  Al  Al115  1  0.909962  0.835227  0.506393  1
  Al  Al116  1  0.795221  0.159204  0.532485  1
  Al  Al117  1  0.679920  0.483280  0.558297  1
  Al  Al118  1  0.773960  0.979698  0.569375  1
  Al  Al119  1  0.002504  0.331625  0.517362  1
  Al  Al120  1  0.888816  0.655613  0.543009  1
  Al  Al121  1  0.278925  0.958039  0.535433  1
  Al  Al122  1  0.165967  0.281820  0.561166  1
  Al  Al123  1  0.393286  0.634380  0.509419  1
  Al  Al124  1  0.488029  0.130412  0.520635  1
  Al  Al125  1  0.373169  0.454271  0.546076  1
  Al  Al126  1  0.257870  0.778705  0.572456  1
  Al  Al127  1  0.324889  0.828859  0.525156  1
  Al  Al128  1  0.211594  0.152660  0.551036  1
  Al  Al129  1  0.094330  0.476541  0.576703  1
  Al  Al130  1  0.534255  1.000601  0.510369  1
  Al  Al131  1  0.419505  0.324649  0.535827  1
  Al  Al132  1  0.304426  0.648022  0.561849  1
  Al  Al133  1  0.072528  0.136977  0.502164  1
  Al  Al134  1  0.956442  0.461005  0.527541  1
  Al  Al135  1  0.842346  0.784886  0.553416  1
  Al  Al136  1  0.032037  0.884668  0.554240  1
  Al  Al137  1  0.261524  0.236926  0.502660  1
  Al  Al138  1  0.146394  0.560705  0.528312  1
  Al  Al139  1  0.453369  0.047801  0.565514  1
  Al  Al140  1  0.682066  0.399836  0.513266  1
  Al  Al141  1  0.568006  0.723758  0.539602  1
  Al  Al142  1  0.021812  0.053084  0.550517  1
  Al  Al143  1  0.907951  0.376389  0.576090  1
  Al  Al144  1  0.135705  0.729051  0.524385  1
  Al  Al145  1  0.260501  0.861754  0.617052  1
  Al  Al146  1  0.143689  0.186141  0.642991  1
  Al  Al147  1  0.368779  0.537403  0.590002  1
  Al  Al148  1  0.520231  0.936673  0.594817  1
  Al  Al149  1  0.408130  0.259666  0.620536  1
  Al  Al150  1  0.281558  0.577751  0.654847  1
  Al  Al151  1  0.566664  0.806999  0.584546  1
  Al  Al152  1  0.453347  0.131426  0.610893  1
  Al  Al153  1  0.332726  0.453875  0.634400  1
  Al  Al154  1  0.433017  0.950469  0.646902  1
  Al  Al155  1  0.662058  0.303339  0.595114  1
  Al  Al156  1  0.521377  0.625993  0.620305  1
  Al  Al157  1  0.938437  0.930325  0.612493  1
  Al  Al158  1  0.819217  0.254900  0.639076  1
  Al  Al159  1  0.046449  0.606369  0.586228  1
  Al  Al160  1  0.146359  0.102309  0.598433  1
  Al  Al161  1  0.029671  0.426917  0.623750  1
  Al  Al162  1  0.920761  0.748820  0.649494  1
  Al  Al163  1  0.977727  0.799841  0.601885  1
  Al  Al164  1  0.868549  0.124491  0.628447  1
  Al  Al165  1  0.753638  0.448885  0.653592  1
  Al  Al166  1  0.192341  0.972761  0.587816  1
  Al  Al167  1  0.073827  0.295232  0.613462  1
  Al  Al168  1  0.968796  0.621990  0.638442  1
  Al  Al169  1  0.728439  0.108673  0.579735  1
  Al  Al170  1  0.615232  0.432440  0.605017  1
  Al  Al171  1  0.484081  0.757355  0.630999  1
  Al  Al172  1  0.692846  0.856280  0.633455  1
  Al  Al173  1  0.918914  0.208179  0.580180  1
  Al  Al174  1  0.802532  0.534260  0.606907  1
  Al  Al175  1  0.112335  0.020589  0.643726  1
  Al  Al176  1  0.340933  0.370428  0.590166  1
  Al  Al177  1  0.215702  0.695275  0.619686  1
  Al  Al178  1  0.677568  0.025595  0.627482  1
  Al  Al179  1  0.559708  0.352116  0.652745  1
  Al  Al180  1  0.787530  0.700573  0.600184  1
  Al  Al181  1  0.906919  0.844948  0.690040  1
  Al  Al182  1  0.782946  0.160109  0.714518  1
  Al  Al183  1  0.004992  0.511085  0.665332  1
  Al  Al184  1  0.175067  0.908629  0.670125  1
  Al  Al185  1  0.061929  0.232537  0.699393  1
  Al  Al186  1  0.953316  0.556456  0.720181  1
  Al  Al187  1  0.215402  0.779098  0.666356  1
  Al  Al188  1  0.107823  0.102819  0.690942  1
  Al  Al189  1  0.005267  0.432312  0.711239  1
  Al  Al190  1  0.085456  0.915517  0.720084  1
  Al  Al191  1  0.313854  0.275808  0.671303  1
  Al  Al192  1  0.231506  0.613640  0.707800  1
  Al  Al193  1  0.591730  0.902312  0.691707  1
  Al  Al194  1  0.466293  0.229624  0.714656  1
  Al  Al195  1  0.698238  0.576511  0.662051  1
  Al  Al196  1  0.802452  0.074617  0.674565  1
  Al  Al197  1  0.692481  0.398940  0.700091  1
  Al  Al198  1  0.599642  0.712509  0.719793  1
  Al  Al199  1  0.645081  0.770346  0.676426  1
  Al  Al200  1  0.514894  0.095700  0.705629  1
  Al  Al201  1  0.383399  0.428600  0.725403  1
  Al  Al202  1  0.847462  0.946219  0.663605  1
  Al  Al203  1  0.732330  0.270630  0.689551  1
  Al  Al204  1  0.590018  0.589552  0.712980  1
  Al  Al205  1  0.381149  0.081457  0.657159  1
  Al  Al206  1  0.258300  0.406214  0.679325  1
  Al  Al207  1  0.970356  0.740284  0.707724  1
  Al  Al208  1  0.372930  0.825546  0.708156  1
  Al  Al209  1  0.582633  0.180240  0.659725  1
  Al  Al210  1  0.482589  0.494048  0.680747  1
  Al  Al211  1  0.773962  0.991422  0.715927  1
  Al  Al212  1  0.998543  0.342955  0.668899  1
  Al  Al213  1  0.862842  0.649450  0.689487  1
  Al  Al214  1  0.332818  0.993114  0.700277  1
  Al  Al215  1  0.213686  0.327938  0.721744  1
  Al  Al216  1  0.453078  0.670702  0.673610  1
  Ni  Ni217  1  0.372770  0.964308  0.330994  1
  Ni  Ni218  1  0.595636  0.313957  0.284522  1
  Ni  Ni219  1  0.478273  0.640280  0.310204  1
  Ni  Ni220  1  0.223792  0.919055  0.291818  1
  Ni  Ni221  1  0.033097  0.307623  0.299980  1
  Ni  Ni222  1  0.919855  0.634412  0.324435  1
  Ni  Ni223  1  0.749803  0.141298  0.304012  1
  Ni  Ni224  1  0.624939  0.465824  0.330442  1
  Ni  Ni225  1  0.823337  0.828519  0.281293  1
  Ni  Ni226  1  0.300208  0.134782  0.300876  1
  Ni  Ni227  1  0.195551  0.470253  0.317280  1
  Ni  Ni228  1  0.080284  0.795504  0.341776  1
  Ni  Ni229  1  0.025386  0.936030  0.413165  1
  Ni  Ni230  1  0.249031  0.289183  0.363365  1
  Ni  Ni231  1  0.133172  0.612073  0.387136  1
  Ni  Ni232  1  0.807041  0.960185  0.352795  1
  Ni  Ni233  1  0.689674  0.283268  0.374051  1
  Ni  Ni234  1  0.574434  0.607377  0.399943  1
  Ni  Ni235  1  0.401963  0.112292  0.381389  1
  Ni  Ni236  1  0.292493  0.438798  0.406647  1
  Ni  Ni237  1  0.515207  0.791347  0.357011  1
  Ni  Ni238  1  0.977758  0.119489  0.369052  1
  Ni  Ni239  1  0.849194  0.443177  0.393560  1
  Ni  Ni240  1  0.737697  0.766746  0.419655  1
  Ni  Ni241  1  0.675966  0.907755  0.491140  1
  Ni  Ni242  1  0.903311  0.260084  0.439524  1
  Ni  Ni243  1  0.789979  0.583809  0.464899  1
  Ni  Ni244  1  0.460073  0.931582  0.426068  1
  Ni  Ni245  1  0.348454  0.255285  0.452221  1
  Ni  Ni246  1  0.232832  0.579381  0.477603  1
  Ni  Ni247  1  0.064416  0.086390  0.458921  1
  Ni  Ni248  1  0.951052  0.410320  0.484067  1
  Ni  Ni249  1  0.179255  0.762262  0.432460  1
  Ni  Ni250  1  0.624332  0.091030  0.445914  1
  Ni  Ni251  1  0.507400  0.414889  0.471466  1
  Ni  Ni252  1  0.393440  0.738774  0.497581  1
  Ni  Ni253  1  0.332713  0.879635  0.568630  1
  Ni  Ni254  1  0.560916  0.231576  0.517023  1
  Ni  Ni255  1  0.447552  0.555507  0.542170  1
  Ni  Ni256  1  0.118528  0.903122  0.503509  1
  Ni  Ni257  1  0.004568  0.227007  0.529624  1
  Ni  Ni258  1  0.887636  0.550867  0.555176  1
  Ni  Ni259  1  0.721989  0.058088  0.536191  1
  Ni  Ni260  1  0.608657  0.381813  0.561567  1
  Ni  Ni261  1  0.836002  0.734142  0.509950  1
  Ni  Ni262  1  0.279136  0.062515  0.523487  1
  Ni  Ni263  1  0.163514  0.386611  0.548869  1
  Ni  Ni264  1  0.051894  0.710315  0.575022  1
  Ni  Ni265  1  0.996761  0.850550  0.644080  1
  Ni  Ni266  1  0.219475  0.203099  0.594443  1
  Ni  Ni267  1  0.110005  0.529604  0.619701  1
  Ni  Ni268  1  0.774270  0.875150  0.581435  1
  Ni  Ni269  1  0.662774  0.198720  0.607530  1
  Ni  Ni270  1  0.534210  0.522407  0.632039  1
  Ni  Ni271  1  0.378796  0.029823  0.613955  1
  Ni  Ni272  1  0.262937  0.352714  0.637725  1
  Ni  Ni273  1  0.486582  0.705867  0.587926  1
  Ni  Ni274  1  0.937534  0.034520  0.601147  1
  Ni  Ni275  1  0.822294  0.358629  0.627040  1
  Ni  Ni276  1  0.704927  0.681712  0.648296  1
  Ni  Ni277  1  0.688631  0.813378  0.719797  1
  Ni  Ni278  1  0.887029  0.176072  0.670649  1
  Ni  Ni279  1  0.762165  0.500598  0.697078  1
  Ni  Ni280  1  0.431684  0.846392  0.659314  1
  Ni  Ni281  1  0.316417  0.171644  0.683811  1
  Ni  Ni282  1  0.211760  0.507114  0.700215  1
  Ni  Ni283  1  0.033695  1.001616  0.690886  1
  Ni  Ni284  1  0.916332  0.327939  0.716568  1
  Ni  Ni285  1  0.139198  0.677588  0.670096  1
  Ni  Ni286  1  0.592113  0.007484  0.676655  1
  Ni  Ni287  1  0.478871  0.334273  0.701110  1
  Ni  Ni288  1  0.288176  0.722841  0.709272  1
