# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00807415
_cell_length_b   17.15918903
_cell_length_c   50.91188880
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al72 Ni216'
_cell_volume   6818.7670892
_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  0.698467  0.972132  0.317428  1
  Al  Al2  1  0.435401  0.353844  0.270563  1
  Al  Al3  1  0.563805  0.665711  0.292360  1
  Al  Al4  1  0.458598  0.853916  0.266022  1
  Al  Al5  1  0.607094  0.154750  0.285159  1
  Al  Al6  1  0.719205  0.471356  0.314707  1
  Al  Al7  1  0.313712  0.793723  0.343143  1
  Al  Al8  1  0.076372  0.158253  0.290981  1
  Al  Al9  1  0.185637  0.484671  0.320948  1
  Al  Al10  1  0.218989  0.976723  0.315995  1
  Al  Al11  1  0.355866  0.282090  0.335958  1
  Al  Al12  1  0.089330  0.661551  0.288287  1
  Al  Al13  1  0.067049  0.920554  0.394369  1
  Al  Al14  1  0.823562  0.295096  0.341369  1
  Al  Al15  1  0.937341  0.613543  0.368847  1
  Al  Al16  1  0.840058  0.792690  0.338849  1
  Al  Al17  1  0.975384  0.102837  0.362622  1
  Al  Al18  1  0.103994  0.410497  0.386798  1
  Al  Al19  1  0.686891  0.739257  0.420863  1
  Al  Al20  1  0.451324  0.104474  0.365655  1
  Al  Al21  1  0.569915  0.423313  0.394220  1
  Al  Al22  1  0.594158  0.919418  0.390467  1
  Al  Al23  1  0.727762  0.228993  0.413622  1
  Al  Al24  1  0.467471  0.602658  0.362998  1
  Al  Al25  1  0.438903  0.867924  0.472413  1
  Al  Al26  1  0.199784  0.233190  0.418044  1
  Al  Al27  1  0.317392  0.552780  0.445721  1
  Al  Al28  1  0.219821  0.731665  0.415301  1
  Al  Al29  1  0.345485  0.047598  0.441667  1
  Al  Al30  1  0.478994  0.356299  0.464791  1
  Al  Al31  1  0.066782  0.681905  0.497545  1
  Al  Al32  1  0.820766  0.049458  0.444656  1
  Al  Al33  1  0.949510  0.362622  0.469591  1
  Al  Al34  1  0.969810  0.860389  0.467131  1
  Al  Al35  1  0.096318  0.175146  0.492689  1
  Al  Al36  1  0.852444  0.541044  0.438857  1
  Al  Al37  1  0.816113  0.811202  0.549506  1
  Al  Al38  1  0.572239  0.177100  0.495674  1
  Al  Al39  1  0.698748  0.491857  0.521232  1
  Al  Al40  1  0.601775  0.670341  0.490818  1
  Al  Al41  1  0.719048  0.989624  0.518772  1
  Al  Al42  1  0.847792  0.302788  0.543707  1
  Al  Al43  1  0.448736  0.620581  0.573062  1
  Al  Al44  1  0.189563  0.995947  0.523572  1
  Al  Al45  1  0.323072  0.304648  0.546696  1
  Al  Al46  1  0.351165  0.799466  0.542642  1
  Al  Al47  1  0.468774  0.119056  0.570319  1
  Al  Al48  1  0.229655  0.484322  0.515950  1
  Al  Al49  1  0.201087  0.749588  0.625365  1
  Al  Al50  1  0.940796  0.123253  0.574741  1
  Al  Al51  1  0.074399  0.432828  0.597896  1
  Al  Al52  1  0.981667  0.612989  0.567500  1
  Al  Al53  1  0.098643  0.928933  0.594143  1
  Al  Al54  1  0.217234  0.247772  0.622708  1
  Al  Al55  1  0.828499  0.559556  0.649514  1
  Al  Al56  1  0.564563  0.941749  0.601565  1
  Al  Al57  1  0.693173  0.249409  0.625740  1
  Al  Al58  1  0.731217  0.738703  0.619516  1
  Al  Al59  1  0.844996  0.057150  0.646994  1
  Al  Al60  1  0.601509  0.431692  0.593994  1
  Al  Al61  1  0.579228  0.690695  0.700076  1
  Al  Al62  1  0.312691  0.070156  0.652405  1
  Al  Al63  1  0.449569  0.375523  0.672368  1
  Al  Al64  1  0.354846  0.558523  0.645220  1
  Al  Al65  1  0.482921  0.867575  0.667415  1
  Al  Al66  1  0.592186  0.193993  0.697382  1
  Al  Al67  1  0.209960  0.498330  0.722341  1
  Al  Al68  1  0.949352  0.880890  0.673656  1
  Al  Al69  1  0.061464  0.197496  0.703204  1
  Al  Al70  1  0.104752  0.686535  0.696003  1
  Al  Al71  1  0.233157  0.998402  0.717800  1
  Al  Al72  1  0.970091  0.380114  0.670935  1
  Ni  Ni73  1  0.989408  0.044149  0.319349  1
  Ni  Ni74  1  0.738455  0.430703  0.271890  1
  Ni  Ni75  1  0.862975  0.736852  0.295964  1
  Ni  Ni76  1  0.649048  0.820258  0.301411  1
  Ni  Ni77  1  0.790066  0.129301  0.323516  1
  Ni  Ni78  1  0.519539  0.501888  0.278320  1
  Ni  Ni79  1  0.310249  0.081641  0.284727  1
  Ni  Ni80  1  0.412921  0.408373  0.312470  1
  Ni  Ni81  1  0.541475  0.722445  0.335343  1
  Ni  Ni82  1  0.748803  0.932970  0.273843  1
  Ni  Ni83  1  0.870765  0.247825  0.297925  1
  Ni  Ni84  1  0.978882  0.569246  0.324098  1
  Ni  Ni85  1  0.518617  1.000382  0.279953  1
  Ni  Ni86  1  0.634393  0.323506  0.303775  1
  Ni  Ni87  1  0.749882  0.639563  0.329820  1
  Ni  Ni88  1  0.421249  0.891998  0.309038  1
  Ni  Ni89  1  0.563953  0.200445  0.328889  1
  Ni  Ni90  1  0.296070  0.572519  0.284556  1
  Ni  Ni91  1  0.241032  0.930756  0.273641  1
  Ni  Ni92  1  0.378533  0.224716  0.293465  1
  Ni  Ni93  1  0.490764  0.548197  0.319418  1
  Ni  Ni94  1  0.035315  1.006868  0.277333  1
  Ni  Ni95  1  0.168159  0.309924  0.298697  1
  Ni  Ni96  1  0.276429  0.634959  0.325405  1
  Ni  Ni97  1  0.931615  0.899725  0.305880  1
  Ni  Ni98  1  0.051544  0.217937  0.333543  1
  Ni  Ni99  1  0.788053  0.587995  0.287774  1
  Ni  Ni100  1  0.499434  0.061014  0.320333  1
  Ni  Ni101  1  0.222411  0.435621  0.278605  1
  Ni  Ni102  1  0.360655  0.751105  0.298949  1
  Ni  Ni103  1  0.138062  0.821503  0.302837  1
  Ni  Ni104  1  0.262433  0.130612  0.327570  1
  Ni  Ni105  1  1.001870  0.512212  0.283529  1
  Ni  Ni106  1  0.805956  0.067076  0.282918  1
  Ni  Ni107  1  0.939063  0.387117  0.302954  1
  Ni  Ni108  1  0.044716  0.708408  0.331571  1
  Ni  Ni109  1  0.365349  0.992661  0.397339  1
  Ni  Ni110  1  0.129033  0.356638  0.341876  1
  Ni  Ni111  1  0.239232  0.677181  0.370830  1
  Ni  Ni112  1  0.029122  0.762824  0.377231  1
  Ni  Ni113  1  0.158545  0.075666  0.403183  1
  Ni  Ni114  1  0.914478  0.443599  0.349447  1
  Ni  Ni115  1  0.680260  0.032632  0.360179  1
  Ni  Ni116  1  0.799540  0.348078  0.386204  1
  Ni  Ni117  1  0.915359  0.665753  0.413816  1
  Ni  Ni118  1  0.112545  0.877186  0.348385  1
  Ni  Ni119  1  0.245928  0.188835  0.372647  1
  Ni  Ni120  1  0.358740  0.507481  0.400565  1
  Ni  Ni121  1  0.885129  0.946333  0.354294  1
  Ni  Ni122  1  0.013269  0.260913  0.379036  1
  Ni  Ni123  1  0.126758  0.582017  0.407784  1
  Ni  Ni124  1  0.796830  0.833404  0.384456  1
  Ni  Ni125  1  0.929931  0.144866  0.408329  1
  Ni  Ni126  1  0.677737  0.518345  0.357863  1
  Ni  Ni127  1  0.609739  0.861259  0.346698  1
  Ni  Ni128  1  0.748125  0.174671  0.368612  1
  Ni  Ni129  1  0.876870  0.488277  0.393887  1
  Ni  Ni130  1  0.408823  0.948295  0.352228  1
  Ni  Ni131  1  0.541675  0.256164  0.374882  1
  Ni  Ni132  1  0.658751  0.574211  0.401683  1
  Ni  Ni133  1  0.296090  0.850406  0.387515  1
  Ni  Ni134  1  0.429169  0.159752  0.410738  1
  Ni  Ni135  1  0.162852  0.538087  0.364136  1
  Ni  Ni136  1  0.867122  1.006718  0.398851  1
  Ni  Ni137  1  0.610943  0.376840  0.349235  1
  Ni  Ni138  1  0.729189  0.695721  0.374956  1
  Ni  Ni139  1  0.500789  0.765953  0.381717  1
  Ni  Ni140  1  0.635990  0.076815  0.405395  1
  Ni  Ni141  1  0.380061  0.451385  0.356334  1
  Ni  Ni142  1  0.175030  1.017503  0.359889  1
  Ni  Ni143  1  0.313157  0.327614  0.381067  1
  Ni  Ni144  1  0.426093  0.646002  0.408433  1
  Ni  Ni145  1  0.740184  0.934627  0.474220  1
  Ni  Ni146  1  0.499871  0.300923  0.420231  1
  Ni  Ni147  1  0.623351  0.616397  0.446409  1
  Ni  Ni148  1  0.409274  0.702640  0.453380  1
  Ni  Ni149  1  0.531286  0.019525  0.480417  1
  Ni  Ni150  1  0.291279  0.384923  0.426269  1
  Ni  Ni151  1  0.048495  0.977691  0.438722  1
  Ni  Ni152  1  0.178942  0.288685  0.462602  1
  Ni  Ni153  1  0.295682  0.606682  0.490168  1
  Ni  Ni154  1  0.483101  0.824076  0.426865  1
  Ni  Ni155  1  0.618105  0.134300  0.450142  1
  Ni  Ni156  1  0.742881  0.447837  0.476023  1
  Ni  Ni157  1  0.253558  0.894276  0.433141  1
  Ni  Ni158  1  0.387161  0.204403  0.456552  1
  Ni  Ni159  1  0.509674  0.520328  0.483151  1
  Ni  Ni160  1  0.177105  0.775318  0.460577  1
  Ni  Ni161  1  0.299551  0.090340  0.487072  1
  Ni  Ni162  1  0.061455  0.457077  0.432288  1
  Ni  Ni163  1  0.989675  0.804805  0.422881  1
  Ni  Ni164  1  0.116998  0.119720  0.448377  1
  Ni  Ni165  1  0.250996  0.429488  0.471301  1
  Ni  Ni166  1  0.781412  0.891119  0.429017  1
  Ni  Ni167  1  0.911675  0.202614  0.453356  1
  Ni  Ni168  1  0.040744  0.513747  0.477664  1
  Ni  Ni169  1  0.666900  0.794266  0.465565  1
  Ni  Ni170  1  0.799733  0.105089  0.489267  1
  Ni  Ni171  1  0.546943  0.477447  0.438501  1
  Ni  Ni172  1  0.234589  0.952151  0.478084  1
  Ni  Ni173  1  0.994564  0.318547  0.424237  1
  Ni  Ni174  1  0.107884  0.637017  0.452364  1
  Ni  Ni175  1  0.877728  0.709559  0.458973  1
  Ni  Ni176  1  1.005029  0.022053  0.484092  1
  Ni  Ni177  1  0.761599  0.390798  0.431261  1
  Ni  Ni178  1  0.548659  0.962268  0.435820  1
  Ni  Ni179  1  0.682746  0.272239  0.459268  1
  Ni  Ni180  1  0.810648  0.586251  0.484235  1
  Ni  Ni181  1  0.121615  0.874799  0.549862  1
  Ni  Ni182  1  0.868825  0.247157  0.499096  1
  Ni  Ni183  1  1.001657  0.557980  0.522798  1
  Ni  Ni184  1  0.790830  0.642687  0.529390  1
  Ni  Ni185  1  0.906959  0.961448  0.557102  1
  Ni  Ni186  1  0.663529  0.330193  0.504271  1
  Ni  Ni187  1  0.417561  0.922758  0.517062  1
  Ni  Ni188  1  0.551560  0.232526  0.539986  1
  Ni  Ni189  1  0.678883  0.547441  0.565482  1
  Ni  Ni190  1  0.857910  0.765995  0.504128  1
  Ni  Ni191  1  0.985811  0.080007  0.529095  1
  Ni  Ni192  1  0.119898  0.389978  0.552543  1
  Ni  Ni193  1  0.627814  0.838499  0.510699  1
  Ni  Ni194  1  0.756883  0.149632  0.535007  1
  Ni  Ni195  1  0.887146  0.461127  0.559346  1
  Ni  Ni196  1  0.560673  0.715229  0.535999  1
  Ni  Ni197  1  0.673994  0.033699  0.564126  1
  Ni  Ni198  1  0.433969  0.400095  0.510279  1
  Ni  Ni199  1  0.372876  0.745564  0.498195  1
  Ni  Ni200  1  0.489616  0.063561  0.525761  1
  Ni  Ni201  1  0.620063  0.374555  0.549641  1
  Ni  Ni202  1  0.158884  0.831918  0.505212  1
  Ni  Ni203  1  0.281397  0.147844  0.531811  1
  Ni  Ni204  1  0.415000  0.457970  0.555222  1
  Ni  Ni205  1  0.045207  0.735849  0.541954  1
  Ni  Ni206  1  0.168687  0.051323  0.568132  1
  Ni  Ni207  1  0.928373  0.417619  0.514143  1
  Ni  Ni208  1  0.607102  0.895169  0.556075  1
  Ni  Ni209  1  0.369006  0.261906  0.501291  1
  Ni  Ni210  1  0.491452  0.576928  0.527786  1
  Ni  Ni211  1  0.259284  0.649606  0.534983  1
  Ni  Ni212  1  0.377278  0.967323  0.562094  1
  Ni  Ni213  1  0.137272  0.332721  0.507946  1
  Ni  Ni214  1  0.925677  0.904409  0.512340  1
  Ni  Ni215  1  0.050453  0.217946  0.538221  1
  Ni  Ni216  1  0.185457  0.528170  0.561498  1
  Ni  Ni217  1  0.505705  0.814159  0.624227  1
  Ni  Ni218  1  0.239389  0.192494  0.577625  1
  Ni  Ni219  1  0.372468  0.501840  0.600848  1
  Ni  Ni220  1  0.167769  0.586293  0.606646  1
  Ni  Ni221  1  0.288497  0.900861  0.632029  1
  Ni  Ni222  1  0.032568  0.275431  0.582968  1
  Ni  Ni223  1  0.791688  0.863969  0.594476  1
  Ni  Ni224  1  0.920433  0.177575  0.619751  1
  Ni  Ni225  1  0.058819  0.490987  0.641665  1
  Ni  Ni226  1  0.242465  0.706244  0.579930  1
  Ni  Ni227  1  0.355401  0.024632  0.607296  1
  Ni  Ni228  1  0.493528  0.334743  0.628474  1
  Ni  Ni229  1  0.009806  0.778035  0.586680  1
  Ni  Ni230  1  0.126883  0.096083  0.613481  1
  Ni  Ni231  1  0.259735  0.403951  0.636135  1
  Ni  Ni232  1  0.939369  0.656525  0.613407  1
  Ni  Ni233  1  0.057615  0.975406  0.639128  1
  Ni  Ni234  1  0.801436  0.345528  0.589512  1
  Ni  Ni235  1  0.753199  0.686493  0.574547  1
  Ni  Ni236  1  0.869017  1.004168  0.602159  1
  Ni  Ni237  1  0.988298  0.319614  0.628184  1
  Ni  Ni238  1  0.541800  0.770229  0.580579  1
  Ni  Ni239  1  0.655288  0.091333  0.609326  1
  Ni  Ni240  1  0.783428  0.405913  0.634069  1
  Ni  Ni241  1  0.429326  0.675065  0.617533  1
  Ni  Ni242  1  0.539524  0.995608  0.646487  1
  Ni  Ni243  1  0.303209  0.359585  0.591024  1
  Ni  Ni244  1  0.990820  0.833901  0.630500  1
  Ni  Ni245  1  0.738627  0.207380  0.580034  1
  Ni  Ni246  1  0.871728  0.518842  0.603907  1
  Ni  Ni247  1  0.639435  0.589422  0.611132  1
  Ni  Ni248  1  0.754080  0.908647  0.638916  1
  Ni  Ni249  1  0.510013  0.276580  0.585180  1
  Ni  Ni250  1  0.309818  0.844765  0.587798  1
  Ni  Ni251  1  0.422630  0.163411  0.615715  1
  Ni  Ni252  1  0.556013  0.475060  0.639978  1
  Ni  Ni253  1  0.880505  0.764251  0.700589  1
  Ni  Ni254  1  0.617014  0.134309  0.654819  1
  Ni  Ni255  1  0.736943  0.452521  0.682483  1
  Ni  Ni256  1  0.530496  0.530743  0.685526  1
  Ni  Ni257  1  0.666687  0.840034  0.704834  1
  Ni  Ni258  1  0.406124  0.221634  0.660793  1
  Ni  Ni259  1  0.177793  0.804049  0.668944  1
  Ni  Ni260  1  0.290024  0.127530  0.694898  1
  Ni  Ni261  1  0.427526  0.421490  0.714722  1
  Ni  Ni262  1  0.623842  0.643838  0.656792  1
  Ni  Ni263  1  0.729495  0.965129  0.685409  1
  Ni  Ni264  1  0.862602  0.285170  0.705445  1
  Ni  Ni265  1  0.392129  0.717287  0.662958  1
  Ni  Ni266  1  0.500399  0.042322  0.689666  1
  Ni  Ni267  1  0.633243  0.345378  0.711030  1
  Ni  Ni268  1  0.307902  0.601141  0.689413  1
  Ni  Ni269  1  0.446147  0.916625  0.709758  1
  Ni  Ni270  1  0.169124  0.291233  0.668030  1
  Ni  Ni271  1  0.127083  0.629801  0.653020  1
  Ni  Ni272  1  0.255637  0.943873  0.675893  1
  Ni  Ni273  1  0.358309  0.270605  0.703636  1
  Ni  Ni274  1  0.918676  0.712683  0.658543  1
  Ni  Ni275  1  0.034165  0.028740  0.684588  1
  Ni  Ni276  1  0.149941  0.351864  0.708410  1
  Ni  Ni277  1  0.805583  0.615394  0.692399  1
  Ni  Ni278  1  0.930103  0.921544  0.716473  1
  Ni  Ni279  1  0.679149  0.308097  0.669014  1
  Ni  Ni280  1  0.372488  0.779727  0.703807  1
  Ni  Ni281  1  0.104605  0.151801  0.659474  1
  Ni  Ni282  1  0.247309  0.460248  0.679325  1
  Ni  Ni283  1  0.019509  0.531988  0.686952  1
  Ni  Ni284  1  0.149018  0.850358  0.710043  1
  Ni  Ni285  1  0.878492  0.222945  0.664847  1
  Ni  Ni286  1  0.689676  0.783000  0.664265  1
  Ni  Ni287  1  0.797793  0.104421  0.690438  1
  Ni  Ni288  1  0.919754  0.419276  0.714520  1
