# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08060582
_cell_length_b   22.49203597
_cell_length_c   50.27077222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.51044566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al216 Ni72'
_cell_volume   9058.72822376
_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  0.591651  0.975260  0.311367  1
  Al  Al2  1  0.491273  0.291788  0.331564  1
  Al  Al3  1  0.714643  0.638439  0.282082  1
  Al  Al4  1  0.887963  0.028402  0.285494  1
  Al  Al5  1  0.753775  0.364678  0.307931  1
  Al  Al6  1  0.639840  0.691218  0.333325  1
  Al  Al7  1  0.742672  0.923855  0.267432  1
  Al  Al8  1  0.800952  0.235697  0.297307  1
  Al  Al9  1  0.683852  0.562061  0.324950  1
  Al  Al10  1  0.773646  0.058102  0.336400  1
  Al  Al11  1  0.018113  0.410189  0.282407  1
  Al  Al12  1  0.891526  0.734422  0.305845  1
  Al  Al13  1  0.247317  0.032424  0.298885  1
  Al  Al14  1  0.165786  0.357955  0.327572  1
  Al  Al15  1  0.415508  0.718934  0.278083  1
  Al  Al16  1  0.491241  0.202940  0.286011  1
  Al  Al17  1  0.372354  0.532483  0.308662  1
  Al  Al18  1  0.254453  0.855988  0.337320  1
  Al  Al19  1  0.329190  0.909677  0.289712  1
  Al  Al20  1  0.216973  0.229640  0.318701  1
  Al  Al21  1  0.093938  0.555202  0.342348  1
  Al  Al22  1  0.536005  0.075226  0.277803  1
  Al  Al23  1  0.417226  0.405824  0.299347  1
  Al  Al24  1  0.304347  0.728495  0.329381  1
  Al  Al25  1  0.095931  0.210904  0.268688  1
  Al  Al26  1  0.976278  0.539278  0.291592  1
  Al  Al27  1  0.846840  0.870711  0.319872  1
  Al  Al28  1  0.037188  0.963309  0.328950  1
  Al  Al29  1  0.273048  0.310450  0.275979  1
  Al  Al30  1  0.159450  0.641759  0.299134  1
  Al  Al31  1  0.447262  0.121607  0.331625  1
  Al  Al32  1  0.683990  0.479903  0.283255  1
  Al  Al33  1  0.571433  0.808641  0.305984  1
  Al  Al34  1  0.012195  0.132000  0.316040  1
  Al  Al35  1  0.895506  0.454598  0.338730  1
  Al  Al36  1  0.132079  0.808370  0.291202  1
  Al  Al37  1  0.259766  0.939063  0.382568  1
  Al  Al38  1  0.139999  0.261731  0.408835  1
  Al  Al39  1  0.375933  0.613712  0.355872  1
  Al  Al40  1  0.513549  0.012746  0.362265  1
  Al  Al41  1  0.400604  0.336167  0.384872  1
  Al  Al42  1  0.283642  0.659369  0.410153  1
  Al  Al43  1  0.561249  0.887714  0.350543  1
  Al  Al44  1  0.446052  0.209478  0.375097  1
  Al  Al45  1  0.327618  0.532792  0.400228  1
  Al  Al46  1  0.418739  0.029736  0.413380  1
  Al  Al47  1  0.659925  0.381246  0.359911  1
  Al  Al48  1  0.539392  0.705869  0.385138  1
  Al  Al49  1  0.934089  0.006532  0.380827  1
  Al  Al50  1  0.809909  0.327609  0.404507  1
  Al  Al51  1  0.039679  0.683063  0.352131  1
  Al  Al52  1  0.136846  0.177774  0.364784  1
  Al  Al53  1  0.018386  0.500648  0.388637  1
  Al  Al54  1  0.900977  0.823745  0.416008  1
  Al  Al55  1  0.977781  0.878073  0.369922  1
  Al  Al56  1  0.853361  0.202040  0.394641  1
  Al  Al57  1  0.739438  0.525382  0.419974  1
  Al  Al58  1  0.186851  0.053564  0.353404  1
  Al  Al59  1  0.063729  0.374599  0.379085  1
  Al  Al60  1  0.947777  0.698147  0.404717  1
  Al  Al61  1  0.724151  0.184251  0.344208  1
  Al  Al62  1  0.611051  0.507101  0.370423  1
  Al  Al63  1  0.492067  0.831324  0.396307  1
  Al  Al64  1  0.684285  0.932139  0.400089  1
  Al  Al65  1  0.919503  0.283397  0.346628  1
  Al  Al66  1  0.802221  0.608997  0.372603  1
  Al  Al67  1  0.091264  0.096382  0.408465  1
  Al  Al68  1  0.329048  0.448410  0.355557  1
  Al  Al69  1  0.206162  0.772540  0.381237  1
  Al  Al70  1  0.665322  0.101373  0.392345  1
  Al  Al71  1  0.546850  0.424643  0.417204  1
  Al  Al72  1  0.783001  0.780347  0.365127  1
  Al  Al73  1  0.904197  0.907942  0.460657  1
  Al  Al74  1  0.788372  0.231251  0.486065  1
  Al  Al75  1  0.023735  0.584895  0.433429  1
  Al  Al76  1  0.163867  0.982226  0.437328  1
  Al  Al77  1  0.048263  0.305485  0.462561  1
  Al  Al78  1  0.931803  0.628509  0.487714  1
  Al  Al79  1  0.211046  0.855957  0.426628  1
  Al  Al80  1  0.094719  0.179323  0.452951  1
  Al  Al81  1  0.977004  0.502110  0.477617  1
  Al  Al82  1  0.069146  0.998398  0.489663  1
  Al  Al83  1  0.304400  0.351853  0.437304  1
  Al  Al84  1  0.187849  0.674957  0.462685  1
  Al  Al85  1  0.573225  0.974365  0.456982  1
  Al  Al86  1  0.457515  0.297673  0.482076  1
  Al  Al87  1  0.691465  0.651291  0.429786  1
  Al  Al88  1  0.784470  0.147514  0.441694  1
  Al  Al89  1  0.666979  0.470234  0.466554  1
  Al  Al90  1  0.549413  0.793500  0.492936  1
  Al  Al91  1  0.619753  0.848530  0.446441  1
  Al  Al92  1  0.503209  0.171936  0.472512  1
  Al  Al93  1  0.385493  0.494655  0.497205  1
  Al  Al94  1  0.829101  0.021060  0.432364  1
  Al  Al95  1  0.712835  0.343891  0.456727  1
  Al  Al96  1  0.596026  0.667116  0.482286  1
  Al  Al97  1  0.377295  0.155534  0.422423  1
  Al  Al98  1  0.258698  0.477673  0.447038  1
  Al  Al99  1  0.140036  0.800887  0.473223  1
  Al  Al100  1  0.330209  0.901302  0.476442  1
  Al  Al101  1  0.566114  0.255557  0.424639  1
  Al  Al102  1  0.449201  0.578234  0.449664  1
  Al  Al103  1  0.737977  0.064999  0.485969  1
  Al  Al104  1  0.973919  0.418157  0.433323  1
  Al  Al105  1  0.855826  0.741112  0.459090  1
  Al  Al106  1  0.312142  0.071484  0.469855  1
  Al  Al107  1  0.194804  0.393994  0.494566  1
  Al  Al108  1  0.430329  0.748079  0.443217  1
  Al  Al109  1  0.552753  0.877821  0.537773  1
  Al  Al110  1  0.434660  0.200776  0.563540  1
  Al  Al111  1  0.670602  0.553934  0.510894  1
  Al  Al112  1  0.812553  0.951817  0.514577  1
  Al  Al113  1  0.695744  0.275042  0.540136  1
  Al  Al114  1  0.579478  0.597873  0.564499  1
  Al  Al115  1  0.859166  0.825433  0.503927  1
  Al  Al116  1  0.741600  0.148700  0.530309  1
  Al  Al117  1  0.624109  0.471419  0.555169  1
  Al  Al118  1  0.717114  0.967642  0.567077  1
  Al  Al119  1  0.951064  0.321260  0.514787  1
  Al  Al120  1  0.835354  0.644568  0.539881  1
  Al  Al121  1  0.220730  0.943976  0.534178  1
  Al  Al122  1  0.104179  0.267080  0.559559  1
  Al  Al123  1  0.339433  0.620535  0.507200  1
  Al  Al124  1  0.431575  0.116823  0.519246  1
  Al  Al125  1  0.313860  0.439610  0.543912  1
  Al  Al126  1  0.197533  0.762976  0.570235  1
  Al  Al127  1  0.268543  0.818046  0.523640  1
  Al  Al128  1  0.149881  0.141260  0.549825  1
  Al  Al129  1  0.031284  0.463399  0.574440  1
  Al  Al130  1  0.476776  0.990424  0.509149  1
  Al  Al131  1  0.360316  0.313448  0.534302  1
  Al  Al132  1  0.244712  0.636707  0.559535  1
  Al  Al133  1  0.023086  0.124278  0.499658  1
  Al  Al134  1  0.905370  0.446997  0.524350  1
  Al  Al135  1  0.788826  0.770403  0.550422  1
  Al  Al136  1  0.978250  0.870854  0.553646  1
  Al  Al137  1  0.213775  0.224939  0.502297  1
  Al  Al138  1  0.096437  0.547449  0.527008  1
  Al  Al139  1  0.384844  0.034038  0.563434  1
  Al  Al140  1  0.620207  0.387682  0.510798  1
  Al  Al141  1  0.504382  0.710991  0.536206  1
  Al  Al142  1  0.959378  0.040699  0.547199  1
  Al  Al143  1  0.842465  0.363376  0.572224  1
  Al  Al144  1  0.078370  0.717631  0.520421  1
  Al  Al145  1  0.202417  0.846393  0.615626  1
  Al  Al146  1  0.079531  0.170523  0.641306  1
  Al  Al147  1  0.317315  0.522551  0.588398  1
  Al  Al148  1  0.460802  0.920786  0.592146  1
  Al  Al149  1  0.344850  0.244334  0.617778  1
  Al  Al150  1  0.221728  0.565369  0.643459  1
  Al  Al151  1  0.507602  0.795188  0.580855  1
  Al  Al152  1  0.390193  0.118285  0.608226  1
  Al  Al153  1  0.271733  0.441159  0.632079  1
  Al  Al154  1  0.368900  0.935870  0.644732  1
  Al  Al155  1  0.598670  0.291324  0.592356  1
  Al  Al156  1  0.474490  0.612401  0.616036  1
  Al  Al157  1  0.869187  0.913064  0.611725  1
  Al  Al158  1  0.748654  0.237687  0.636952  1
  Al  Al159  1  0.989840  0.589197  0.583483  1
  Al  Al160  1  0.080961  0.086141  0.596635  1
  Al  Al161  1  0.962527  0.409455  0.621766  1
  Al  Al162  1  0.847330  0.731219  0.646320  1
  Al  Al163  1  0.916512  0.787609  0.600556  1
  Al  Al164  1  0.797528  0.111832  0.626440  1
  Al  Al165  1  0.684428  0.434682  0.652655  1
  Al  Al166  1  0.124937  0.959564  0.586710  1
  Al  Al167  1  0.007975  0.282766  0.611991  1
  Al  Al168  1  0.895030  0.606187  0.634598  1
  Al  Al169  1  0.669141  0.093551  0.576889  1
  Al  Al170  1  0.555218  0.416893  0.602222  1
  Al  Al171  1  0.430798  0.740860  0.626941  1
  Al  Al172  1  0.625578  0.838586  0.631736  1
  Al  Al173  1  0.861729  0.194290  0.579659  1
  Al  Al174  1  0.743257  0.517560  0.604518  1
  Al  Al175  1  0.032646  1.005221  0.640991  1
  Al  Al176  1  0.268580  0.357202  0.588028  1
  Al  Al177  1  0.148813  0.679870  0.614295  1
  Al  Al178  1  0.606358  0.009936  0.624260  1
  Al  Al179  1  0.489076  0.335537  0.650235  1
  Al  Al180  1  0.724294  0.686794  0.596774  1
  Al  Al181  1  0.837146  0.810292  0.690879  1
  Al  Al182  1  0.724589  0.139030  0.713608  1
  Al  Al183  1  0.961317  0.497326  0.665238  1
  Al  Al184  1  0.104232  0.890438  0.667482  1
  Al  Al185  1  0.991353  0.213109  0.697516  1
  Al  Al186  1  0.872574  0.543707  0.719060  1
  Al  Al187  1  0.154126  0.762945  0.659543  1
  Al  Al188  1  0.036225  0.086450  0.688201  1
  Al  Al189  1  0.917338  0.415993  0.710852  1
  Al  Al190  1  0.993071  0.899999  0.718780  1
  Al  Al191  1  0.242793  0.260978  0.669291  1
  Al  Al192  1  0.161262  0.586509  0.697978  1
  Al  Al193  1  0.517053  0.884511  0.691018  1
  Al  Al194  1  0.390466  0.208744  0.714456  1
  Al  Al195  1  0.634933  0.560831  0.660463  1
  Al  Al196  1  0.724727  0.056872  0.671913  1
  Al  Al197  1  0.607627  0.383236  0.699556  1
  Al  Al198  1  0.665907  0.695078  0.729431  1
  Al  Al199  1  0.561739  0.748222  0.676991  1
  Al  Al200  1  0.432301  0.079655  0.705271  1
  Al  Al201  1  0.312648  0.408029  0.728175  1
  Al  Al202  1  0.768739  0.927715  0.663538  1
  Al  Al203  1  0.654804  0.254255  0.688932  1
  Al  Al204  1  0.520616  0.590531  0.711369  1
  Al  Al205  1  0.314641  0.063731  0.654515  1
  Al  Al206  1  0.191606  0.389293  0.678162  1
  Al  Al207  1  0.079389  0.709256  0.707151  1
  Al  Al208  1  0.276500  0.810563  0.705661  1
  Al  Al209  1  0.513073  0.164335  0.658133  1
  Al  Al210  1  0.396384  0.486933  0.680823  1
  Al  Al211  1  0.693936  0.980494  0.714781  1
  Al  Al212  1  0.917306  0.327145  0.665299  1
  Al  Al213  1  0.816928  0.643673  0.685496  1
  Al  Al214  1  0.249129  0.977174  0.697729  1
  Al  Al215  1  0.135531  0.308483  0.720884  1
  Al  Al216  1  0.371391  0.655624  0.667913  1
  Ni  Ni217  1  0.334282  0.958838  0.334053  1
  Ni  Ni218  1  0.564590  0.307096  0.285490  1
  Ni  Ni219  1  0.456427  0.634587  0.308865  1
  Ni  Ni220  1  0.018088  0.913653  0.287322  1
  Ni  Ni221  1  0.010107  0.302117  0.297749  1
  Ni  Ni222  1  0.893527  0.628018  0.320854  1
  Ni  Ni223  1  0.720635  0.130861  0.301754  1
  Ni  Ni224  1  0.590591  0.459497  0.327579  1
  Ni  Ni225  1  0.838080  0.822880  0.278790  1
  Ni  Ni226  1  0.278287  0.136609  0.292368  1
  Ni  Ni227  1  0.161153  0.464099  0.315445  1
  Ni  Ni228  1  0.038758  0.789573  0.338623  1
  Ni  Ni229  1  0.977916  0.926746  0.412997  1
  Ni  Ni230  1  0.212731  0.280559  0.360958  1
  Ni  Ni231  1  0.097840  0.604229  0.385253  1
  Ni  Ni232  1  0.771502  0.953747  0.351063  1
  Ni  Ni233  1  0.658545  0.275302  0.372414  1
  Ni  Ni234  1  0.540852  0.598805  0.397581  1
  Ni  Ni235  1  0.367767  0.107306  0.379707  1
  Ni  Ni236  1  0.250226  0.429878  0.403784  1
  Ni  Ni237  1  0.487022  0.785508  0.352504  1
  Ni  Ni238  1  0.926237  0.112178  0.366781  1
  Ni  Ni239  1  0.807872  0.434124  0.392187  1
  Ni  Ni240  1  0.689843  0.757820  0.417711  1
  Ni  Ni241  1  0.625767  0.896308  0.489952  1
  Ni  Ni242  1  0.862769  0.249867  0.437923  1
  Ni  Ni243  1  0.745050  0.573285  0.463123  1
  Ni  Ni244  1  0.421888  0.922347  0.424522  1
  Ni  Ni245  1  0.306199  0.245587  0.450244  1
  Ni  Ni246  1  0.188873  0.568293  0.474950  1
  Ni  Ni247  1  0.016829  0.076632  0.456375  1
  Ni  Ni248  1  0.898735  0.399259  0.481278  1
  Ni  Ni249  1  0.135393  0.753039  0.429540  1
  Ni  Ni250  1  0.572849  0.081486  0.444705  1
  Ni  Ni251  1  0.455356  0.404078  0.469318  1
  Ni  Ni252  1  0.337946  0.727358  0.494999  1
  Ni  Ni253  1  0.273186  0.865894  0.567323  1
  Ni  Ni254  1  0.509844  0.219674  0.515585  1
  Ni  Ni255  1  0.391750  0.542301  0.540488  1
  Ni  Ni256  1  0.070633  0.891575  0.501864  1
  Ni  Ni257  1  0.953223  0.214856  0.527545  1
  Ni  Ni258  1  0.835730  0.537447  0.552158  1
  Ni  Ni259  1  0.663529  0.045648  0.533740  1
  Ni  Ni260  1  0.545810  0.369066  0.558940  1
  Ni  Ni261  1  0.782812  0.722625  0.506911  1
  Ni  Ni262  1  0.219706  0.050640  0.521913  1
  Ni  Ni263  1  0.102380  0.373346  0.546619  1
  Ni  Ni264  1  0.986691  0.696586  0.572341  1
  Ni  Ni265  1  0.921557  0.833425  0.644359  1
  Ni  Ni266  1  0.158353  0.189055  0.593079  1
  Ni  Ni267  1  0.040812  0.511627  0.617156  1
  Ni  Ni268  1  0.718736  0.861114  0.579152  1
  Ni  Ni269  1  0.600707  0.184810  0.604676  1
  Ni  Ni270  1  0.482342  0.506755  0.630082  1
  Ni  Ni271  1  0.310739  0.014704  0.611610  1
  Ni  Ni272  1  0.195848  0.338374  0.635905  1
  Ni  Ni273  1  0.430663  0.692187  0.583866  1
  Ni  Ni274  1  0.867727  0.020128  0.599282  1
  Ni  Ni275  1  0.750034  0.343631  0.624449  1
  Ni  Ni276  1  0.637077  0.665186  0.645800  1
  Ni  Ni277  1  0.570499  0.796053  0.718073  1
  Ni  Ni278  1  0.817988  0.159436  0.669284  1
  Ni  Ni279  1  0.687944  0.488072  0.695109  1
  Ni  Ni280  1  0.369821  0.829360  0.658240  1
  Ni  Ni281  1  0.247426  0.154834  0.681418  1
  Ni  Ni282  1  0.130292  0.482324  0.704495  1
  Ni  Ni283  1  0.952152  0.984346  0.687998  1
  Ni  Ni284  1  0.843989  0.311837  0.711373  1
  Ni  Ni285  1  0.074297  0.660095  0.662810  1
  Ni  Ni286  1  0.515052  0.990915  0.676009  1
  Ni  Ni287  1  0.398472  0.316816  0.699114  1
  Ni  Ni288  1  0.390491  0.705280  0.709541  1
