# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84715183
_cell_length_b   23.67278891
_cell_length_c   49.85909003
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.67009750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al216 Ni72'
_cell_volume   9186.33313275
_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  0.541312  0.999997  0.307451  1
  Al  Al2  1  0.403017  0.304672  0.327509  1
  Al  Al3  1  0.648693  0.658382  0.280118  1
  Al  Al4  1  0.816138  0.054504  0.282042  1
  Al  Al5  1  0.680881  0.383699  0.307410  1
  Al  Al6  1  0.552364  0.704105  0.332769  1
  Al  Al7  1  0.791029  0.935189  0.272854  1
  Al  Al8  1  0.739307  0.242271  0.296154  1
  Al  Al9  1  0.601638  0.573112  0.321561  1
  Al  Al10  1  0.693192  0.072826  0.335441  1
  Al  Al11  1  0.946593  0.422849  0.279094  1
  Al  Al12  1  0.814698  0.746917  0.304873  1
  Al  Al13  1  0.178477  0.042633  0.294859  1
  Al  Al14  1  0.073908  0.373557  0.325784  1
  Al  Al15  1  0.309888  0.727475  0.273150  1
  Al  Al16  1  0.410320  0.218183  0.284597  1
  Al  Al17  1  0.284140  0.546975  0.305595  1
  Al  Al18  1  0.167398  0.872525  0.332066  1
  Al  Al19  1  0.423971  0.909238  0.289002  1
  Al  Al20  1  0.123612  0.240729  0.315882  1
  Al  Al21  1  0.010090  0.564733  0.341251  1
  Al  Al22  1  0.457403  0.092346  0.273058  1
  Al  Al23  1  0.340470  0.415006  0.297706  1
  Al  Al24  1  0.211629  0.738589  0.325361  1
  Al  Al25  1  0.026851  0.229913  0.263863  1
  Al  Al26  1  0.893630  0.552763  0.289708  1
  Al  Al27  1  0.758926  0.880462  0.319185  1
  Al  Al28  1  0.934583  0.978984  0.324560  1
  Al  Al29  1  0.206320  0.323199  0.275529  1
  Al  Al30  1  0.065691  0.652720  0.295396  1
  Al  Al31  1  0.361529  0.133123  0.328474  1
  Al  Al32  1  0.605375  0.489031  0.280965  1
  Al  Al33  1  0.473380  0.802645  0.305831  1
  Al  Al34  1  0.942046  0.141640  0.315636  1
  Al  Al35  1  0.813298  0.469390  0.338373  1
  Al  Al36  1  0.038323  0.824993  0.287561  1
  Al  Al37  1  0.166889  0.952742  0.377916  1
  Al  Al38  1  0.034805  0.278589  0.405568  1
  Al  Al39  1  0.281964  0.628456  0.352729  1
  Al  Al40  1  0.426274  0.028541  0.358735  1
  Al  Al41  1  0.305518  0.354814  0.382502  1
  Al  Al42  1  0.182049  0.679088  0.408179  1
  Al  Al43  1  0.475440  0.897206  0.347791  1
  Al  Al44  1  0.357815  0.219847  0.371512  1
  Al  Al45  1  0.232936  0.544614  0.397363  1
  Al  Al46  1  0.325987  0.042410  0.409359  1
  Al  Al47  1  0.567254  0.393282  0.357252  1
  Al  Al48  1  0.445766  0.717904  0.383385  1
  Al  Al49  1  0.843783  0.023601  0.379722  1
  Al  Al50  1  0.703005  0.346269  0.403081  1
  Al  Al51  1  0.953331  0.699704  0.351778  1
  Al  Al52  1  0.040922  0.196277  0.362936  1
  Al  Al53  1  0.914304  0.519565  0.387829  1
  Al  Al54  1  0.793023  0.843724  0.414161  1
  Al  Al55  1  0.892772  0.888999  0.368072  1
  Al  Al56  1  0.754986  0.214986  0.393102  1
  Al  Al57  1  0.631203  0.538288  0.418616  1
  Al  Al58  1  0.097115  0.061067  0.350260  1
  Al  Al59  1  0.965419  0.385535  0.376995  1
  Al  Al60  1  0.843420  0.709678  0.403068  1
  Al  Al61  1  0.640707  0.199067  0.342324  1
  Al  Al62  1  0.519604  0.526198  0.368069  1
  Al  Al63  1  0.397980  0.849807  0.394131  1
  Al  Al64  1  0.581427  0.947577  0.397662  1
  Al  Al65  1  0.822844  0.298664  0.343710  1
  Al  Al66  1  0.701769  0.623620  0.370181  1
  Al  Al67  1  1.002918  0.111445  0.407574  1
  Al  Al68  1  0.239814  0.461422  0.355298  1
  Al  Al69  1  0.114293  0.786288  0.380833  1
  Al  Al70  1  0.576149  0.115355  0.391123  1
  Al  Al71  1  0.448899  0.440576  0.416480  1
  Al  Al72  1  0.692788  0.793130  0.363929  1
  Al  Al73  1  0.787962  0.926081  0.457108  1
  Al  Al74  1  0.665123  0.250942  0.482871  1
  Al  Al75  1  0.911642  0.601952  0.430808  1
  Al  Al76  1  0.062405  0.004211  0.434559  1
  Al  Al77  1  0.939201  0.328054  0.459989  1
  Al  Al78  1  0.814961  0.652234  0.485410  1
  Al  Al79  1  0.113222  0.868092  0.423674  1
  Al  Al80  1  0.991373  0.193459  0.449375  1
  Al  Al81  1  0.866535  0.517123  0.474761  1
  Al  Al82  1  0.956353  0.014823  0.485945  1
  Al  Al83  1  0.202718  0.366046  0.434193  1
  Al  Al84  1  0.079800  0.690054  0.459905  1
  Al  Al85  1  0.457043  0.995238  0.455264  1
  Al  Al86  1  0.334428  0.319655  0.480751  1
  Al  Al87  1  0.581058  0.670708  0.429095  1
  Al  Al88  1  0.670924  0.168720  0.440068  1
  Al  Al89  1  0.545887  0.492479  0.465560  1
  Al  Al90  1  0.423021  0.817043  0.491492  1
  Al  Al91  1  0.508720  0.862764  0.444686  1
  Al  Al92  1  0.385823  0.187069  0.470426  1
  Al  Al93  1  0.260431  0.510636  0.495726  1
  Al  Al94  1  0.722743  0.033355  0.430211  1
  Al  Al95  1  0.597693  0.357853  0.454807  1
  Al  Al96  1  0.474125  0.681867  0.480579  1
  Al  Al97  1  0.278206  0.174904  0.419009  1
  Al  Al98  1  0.151160  0.498858  0.444556  1
  Al  Al99  1  0.027957  0.823253  0.470581  1
  Al  Al100  1  0.209201  0.920904  0.472577  1
  Al  Al101  1  0.455664  0.272517  0.420592  1
  Al  Al102  1  0.331846  0.596373  0.446329  1
  Al  Al103  1  0.626985  0.083994  0.484143  1
  Al  Al104  1  0.870734  0.434832  0.432075  1
  Al  Al105  1  0.749421  0.759285  0.457988  1
  Al  Al106  1  0.205306  0.089370  0.468656  1
  Al  Al107  1  0.080479  0.413200  0.494072  1
  Al  Al108  1  0.327258  0.764760  0.442481  1
  Al  Al109  1  0.417331  0.899425  0.534277  1
  Al  Al110  1  0.296018  0.223878  0.560190  1
  Al  Al111  1  0.539768  0.574716  0.508122  1
  Al  Al112  1  0.692628  0.976843  0.511686  1
  Al  Al113  1  0.569060  0.300857  0.537458  1
  Al  Al114  1  0.444010  0.625356  0.562054  1
  Al  Al115  1  0.743731  0.841668  0.500773  1
  Al  Al116  1  0.620866  0.166231  0.526705  1
  Al  Al117  1  0.495828  0.489990  0.552197  1
  Al  Al118  1  0.585694  0.988002  0.563170  1
  Al  Al119  1  0.832325  0.339055  0.511514  1
  Al  Al120  1  0.709710  0.663472  0.537001  1
  Al  Al121  1  0.086952  0.968656  0.532360  1
  Al  Al122  1  0.964034  0.292664  0.558072  1
  Al  Al123  1  0.210399  0.643887  0.506320  1
  Al  Al124  1  0.300218  0.141587  0.517504  1
  Al  Al125  1  0.175380  0.465251  0.542890  1
  Al  Al126  1  0.053531  0.790618  0.568591  1
  Al  Al127  1  0.138796  0.835457  0.521684  1
  Al  Al128  1  0.015593  0.159852  0.547709  1
  Al  Al129  1  0.888546  0.483806  0.573256  1
  Al  Al130  1  0.351792  0.006476  0.506855  1
  Al  Al131  1  0.227552  0.330657  0.532276  1
  Al  Al132  1  0.104347  0.654499  0.557706  1
  Al  Al133  1  0.906322  0.148075  0.496538  1
  Al  Al134  1  0.780930  0.471642  0.521839  1
  Al  Al135  1  0.658033  0.795946  0.547579  1
  Al  Al136  1  0.839495  0.893950  0.549784  1
  Al  Al137  1  0.086273  0.245510  0.498193  1
  Al  Al138  1  0.961446  0.569340  0.523609  1
  Al  Al139  1  0.255111  0.056758  0.561457  1
  Al  Al140  1  0.501630  0.407768  0.509394  1
  Al  Al141  1  0.378791  0.732629  0.535157  1
  Al  Al142  1  0.834907  0.062337  0.545936  1
  Al  Al143  1  0.711088  0.386193  0.571673  1
  Al  Al144  1  0.957551  0.737806  0.519688  1
  Al  Al145  1  0.052460  0.872422  0.611432  1
  Al  Al146  1  0.926938  0.197288  0.636967  1
  Al  Al147  1  0.163835  0.547265  0.584691  1
  Al  Al148  1  0.323332  0.949032  0.589197  1
  Al  Al149  1  0.201333  0.273175  0.615270  1
  Al  Al150  1  0.069638  0.597643  0.642005  1
  Al  Al151  1  0.373729  0.814987  0.578103  1
  Al  Al152  1  0.252449  0.139145  0.604436  1
  Al  Al153  1  0.125831  0.462433  0.629329  1
  Al  Al154  1  0.213422  0.959006  0.640487  1
  Al  Al155  1  0.463748  0.312441  0.589184  1
  Al  Al156  1  0.322970  0.635109  0.612543  1
  Al  Al157  1  0.720987  0.940806  0.608880  1
  Al  Al158  1  0.599499  0.265428  0.635012  1
  Al  Al159  1  0.840766  0.616300  0.582906  1
  Al  Al160  1  0.933817  0.114096  0.594902  1
  Al  Al161  1  0.808937  0.438863  0.620753  1
  Al  Al162  1  0.691313  0.761504  0.644474  1
  Al  Al163  1  0.768773  0.808903  0.598134  1
  Al  Al164  1  0.647148  0.132512  0.624196  1
  Al  Al165  1  0.526045  0.459644  0.649941  1
  Al  Al166  1  0.984703  0.979622  0.584086  1
  Al  Al167  1  0.861235  0.303896  0.609763  1
  Al  Al168  1  0.740479  0.630169  0.633530  1
  Al  Al169  1  0.535550  0.120422  0.573649  1
  Al  Al170  1  0.411767  0.443724  0.599163  1
  Al  Al171  1  0.273980  0.769711  0.624193  1
  Al  Al172  1  0.473964  0.865580  0.628336  1
  Al  Al173  1  0.717854  0.218134  0.575785  1
  Al  Al174  1  0.590604  0.543355  0.601142  1
  Al  Al175  1  0.884789  0.030254  0.639536  1
  Al  Al176  1  0.131948  0.380121  0.586697  1
  Al  Al177  1  0.999864  0.705968  0.614348  1
  Al  Al178  1  0.464983  0.035090  0.622084  1
  Al  Al179  1  0.343909  0.360046  0.648555  1
  Al  Al180  1  0.585326  0.711133  0.594603  1
  Al  Al181  1  0.693372  0.856065  0.686434  1
  Al  Al182  1  0.561378  0.169679  0.711300  1
  Al  Al183  1  0.805224  0.525587  0.663791  1
  Al  Al184  1  0.955123  0.920121  0.666904  1
  Al  Al185  1  0.826282  0.243704  0.694559  1
  Al  Al186  1  0.709350  0.566364  0.719207  1
  Al  Al187  1  0.999355  0.786185  0.660199  1
  Al  Al188  1  0.882613  0.111735  0.686670  1
  Al  Al189  1  0.756433  0.440527  0.707668  1
  Al  Al190  1  0.856865  0.931235  0.719115  1
  Al  Al191  1  0.092844  0.285153  0.666481  1
  Al  Al192  1  0.988276  0.616077  0.697406  1
  Al  Al193  1  0.352054  0.911793  0.687391  1
  Al  Al194  1  0.220159  0.235861  0.713171  1
  Al  Al195  1  0.473561  0.585884  0.656824  1
  Al  Al196  1  0.565115  0.085598  0.670704  1
  Al  Al197  1  0.427446  0.416439  0.696111  1
  Al  Al198  1  0.375724  0.723521  0.719411  1
  Al  Al199  1  0.407827  0.778248  0.673080  1
  Al  Al200  1  0.273123  0.105947  0.702557  1
  Al  Al201  1  0.139902  0.428797  0.728402  1
  Al  Al202  1  0.614389  0.954605  0.659496  1
  Al  Al203  1  0.485871  0.275011  0.684855  1
  Al  Al204  1  0.350615  0.604206  0.710223  1
  Al  Al205  1  0.156663  0.093977  0.651014  1
  Al  Al206  1  0.043140  0.417981  0.676383  1
  Al  Al207  1  0.742782  0.749472  0.703263  1
  Al  Al208  1  0.128429  0.833717  0.704704  1
  Al  Al209  1  0.353455  0.189320  0.653892  1
  Al  Al210  1  0.224707  0.517070  0.676629  1
  Al  Al211  1  0.518060  1.000328  0.712147  1
  Al  Al212  1  0.763736  0.354038  0.664756  1
  Al  Al213  1  0.625441  0.658713  0.684814  1
  Al  Al214  1  0.101062  0.005991  0.696869  1
  Al  Al215  1  0.960432  0.335511  0.716736  1
  Al  Al216  1  0.232170  0.679726  0.667705  1
  Ni  Ni217  1  0.259712  0.969978  0.328697  1
  Ni  Ni218  1  0.521663  0.319414  0.281586  1
  Ni  Ni219  1  0.373862  0.646588  0.305697  1
  Ni  Ni220  1  0.099558  0.930414  0.288868  1
  Ni  Ni221  1  0.918163  0.317423  0.293194  1
  Ni  Ni222  1  0.811392  0.640468  0.321804  1
  Ni  Ni223  1  0.642844  0.145278  0.299999  1
  Ni  Ni224  1  0.501313  0.474050  0.326541  1
  Ni  Ni225  1  0.705422  0.834597  0.276770  1
  Ni  Ni226  1  0.189424  0.149354  0.287502  1
  Ni  Ni227  1  0.083683  0.476802  0.313625  1
  Ni  Ni228  1  0.960286  0.803240  0.337791  1
  Ni  Ni229  1  0.888713  0.942835  0.410060  1
  Ni  Ni230  1  0.128482  0.294646  0.358056  1
  Ni  Ni231  1  0.006256  0.619035  0.383251  1
  Ni  Ni232  1  0.684576  0.965719  0.350415  1
  Ni  Ni233  1  0.560112  0.289380  0.370386  1
  Ni  Ni234  1  0.436761  0.614369  0.396521  1
  Ni  Ni235  1  0.269561  0.120977  0.376440  1
  Ni  Ni236  1  0.142765  0.445316  0.402337  1
  Ni  Ni237  1  0.380841  0.797535  0.352377  1
  Ni  Ni238  1  0.846279  0.126617  0.365782  1
  Ni  Ni239  1  0.712154  0.449845  0.389381  1
  Ni  Ni240  1  0.590829  0.774168  0.415475  1
  Ni  Ni241  1  0.514075  0.916030  0.487214  1
  Ni  Ni242  1  0.760475  0.267562  0.435587  1
  Ni  Ni243  1  0.636846  0.591408  0.461028  1
  Ni  Ni244  1  0.312883  0.938602  0.422541  1
  Ni  Ni245  1  0.194818  0.262882  0.448196  1
  Ni  Ni246  1  0.069890  0.586933  0.473762  1
  Ni  Ni247  1  0.900297  0.094685  0.454252  1
  Ni  Ni248  1  0.775864  0.418344  0.479388  1
  Ni  Ni249  1  0.021954  0.769369  0.428212  1
  Ni  Ni250  1  0.468517  0.099014  0.441557  1
  Ni  Ni251  1  0.342614  0.422822  0.466661  1
  Ni  Ni252  1  0.219793  0.747193  0.492427  1
  Ni  Ni253  1  0.144799  0.889341  0.564053  1
  Ni  Ni254  1  0.390888  0.240366  0.512877  1
  Ni  Ni255  1  0.266456  0.564025  0.538013  1
  Ni  Ni256  1  0.946959  0.911517  0.499838  1
  Ni  Ni257  1  0.824138  0.235888  0.525604  1
  Ni  Ni258  1  0.698236  0.559697  0.550708  1
  Ni  Ni259  1  0.529907  0.067302  0.531237  1
  Ni  Ni260  1  0.406277  0.391148  0.556678  1
  Ni  Ni261  1  0.652678  0.742680  0.505051  1
  Ni  Ni262  1  0.096863  0.071777  0.518502  1
  Ni  Ni263  1  0.971935  0.395828  0.544069  1
  Ni  Ni264  1  0.853869  0.720108  0.569724  1
  Ni  Ni265  1  0.785912  0.861176  0.639888  1
  Ni  Ni266  1  0.023988  0.213394  0.589928  1
  Ni  Ni267  1  0.897192  0.537733  0.615825  1
  Ni  Ni268  1  0.575923  0.884542  0.576790  1
  Ni  Ni269  1  0.454598  0.208865  0.602884  1
  Ni  Ni270  1  0.320474  0.532093  0.626483  1
  Ni  Ni271  1  0.160497  0.039675  0.609014  1
  Ni  Ni272  1  0.038271  0.364064  0.634209  1
  Ni  Ni273  1  0.278040  0.715875  0.582204  1
  Ni  Ni274  1  0.729991  0.044341  0.595744  1
  Ni  Ni275  1  0.606641  0.369330  0.621879  1
  Ni  Ni276  1  0.482177  0.692991  0.641850  1
  Ni  Ni277  1  0.461331  0.824113  0.715495  1
  Ni  Ni278  1  0.665440  0.184660  0.665724  1
  Ni  Ni279  1  0.523908  0.513432  0.692266  1
  Ni  Ni280  1  0.206466  0.855470  0.654474  1
  Ni  Ni281  1  0.083070  0.181908  0.678640  1
  Ni  Ni282  1  0.977328  0.509356  0.704763  1
  Ni  Ni283  1  0.792891  0.012122  0.686568  1
  Ni  Ni284  1  0.645090  0.339296  0.710679  1
  Ni  Ni285  1  0.907040  0.688732  0.663568  1
  Ni  Ni286  1  0.355361  0.018242  0.670461  1
  Ni  Ni287  1  0.248590  0.341287  0.699071  1
  Ni  Ni288  1  0.067194  0.728296  0.703397  1
