# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89524542
_cell_length_b   12.59917680
_cell_length_c   47.33957481
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al54 Ni162'
_cell_volume   5428.97397282
_cell_formula_units_Z   54
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  0.290358  0.093316  0.302752  1
  Al  Al2  1  0.790858  0.094355  0.302816  1
  Al  Al3  1  0.722520  0.457255  0.289092  1
  Al  Al4  1  0.857897  0.728018  0.317684  1
  Al  Al5  1  0.221992  0.457254  0.289083  1
  Al  Al6  1  0.357473  0.728029  0.317686  1
  Al  Al7  1  0.995699  1.003013  0.351138  1
  Al  Al8  1  0.494564  1.003009  0.351155  1
  Al  Al9  1  0.427722  0.368180  0.334191  1
  Al  Al10  1  0.563610  0.640048  0.366478  1
  Al  Al11  1  0.926106  0.364924  0.336979  1
  Al  Al12  1  0.063030  0.638845  0.366224  1
  Al  Al13  1  0.698709  0.910317  0.397257  1
  Al  Al14  1  0.198971  0.910778  0.397143  1
  Al  Al15  1  0.130764  0.274881  0.381585  1
  Al  Al16  1  0.268378  0.548570  0.414035  1
  Al  Al17  1  0.631265  0.274857  0.381608  1
  Al  Al18  1  0.767286  0.548543  0.414038  1
  Al  Al19  1  0.403116  0.819472  0.446211  1
  Al  Al20  1  0.903387  0.819466  0.446150  1
  Al  Al21  1  0.835151  0.183248  0.430669  1
  Al  Al22  1  0.971396  0.455757  0.462318  1
  Al  Al23  1  0.335603  0.184106  0.430231  1
  Al  Al24  1  0.471295  0.455642  0.462141  1
  Al  Al25  1  0.107512  0.727975  0.494097  1
  Al  Al26  1  0.607342  0.727927  0.494148  1
  Al  Al27  1  0.539245  0.091550  0.478099  1
  Al  Al28  1  0.675394  0.364045  0.510303  1
  Al  Al29  1  0.039332  0.091727  0.478001  1
  Al  Al30  1  0.175538  0.364091  0.510236  1
  Al  Al31  1  0.811568  0.636404  0.542118  1
  Al  Al32  1  0.311695  0.636566  0.542304  1
  Al  Al33  1  0.243535  1.000279  0.526263  1
  Al  Al34  1  0.379819  0.272496  0.558095  1
  Al  Al35  1  0.743500  1.000134  0.526349  1
  Al  Al36  1  0.879406  0.272493  0.558150  1
  Al  Al37  1  0.514479  0.543561  0.590468  1
  Al  Al38  1  0.015757  0.543586  0.590469  1
  Al  Al39  1  0.947731  0.908754  0.573615  1
  Al  Al40  1  0.084226  0.181784  0.607072  1
  Al  Al41  1  0.447175  0.907674  0.574159  1
  Al  Al42  1  0.583934  0.181258  0.607157  1
  Al  Al43  1  0.219271  0.451962  0.637497  1
  Al  Al44  1  0.720129  0.453708  0.637951  1
  Al  Al45  1  0.651820  0.816318  0.623137  1
  Al  Al46  1  0.787350  0.089480  0.653104  1
  Al  Al47  1  0.151121  0.816341  0.623116  1
  Al  Al48  1  0.288644  0.089482  0.653088  1
  Al  Al49  1  0.924824  0.363765  0.686204  1
  Al  Al50  1  0.425346  0.363755  0.686202  1
  Al  Al51  1  0.355614  0.724719  0.669628  1
  Al  Al52  1  0.493330  1.000273  0.701272  1
  Al  Al53  1  0.857741  0.729012  0.666290  1
  Al  Al54  1  0.992340  0.998249  0.701277  1
  Ni  Ni55  1  0.542836  0.096987  0.305502  1
  Ni  Ni56  1  0.041535  0.096994  0.305490  1
  Ni  Ni57  1  0.970325  0.453388  0.292185  1
  Ni  Ni58  1  0.109601  0.731843  0.319911  1
  Ni  Ni59  1  0.177031  0.368391  0.335041  1
  Ni  Ni60  1  0.610663  0.733988  0.320394  1
  Ni  Ni61  1  0.756071  0.277506  0.298466  1
  Ni  Ni62  1  0.245804  0.271908  0.298331  1
  Ni  Ni63  1  0.891008  0.546591  0.327824  1
  Ni  Ni64  1  0.321885  0.911517  0.313142  1
  Ni  Ni65  1  0.391127  0.548872  0.328200  1
  Ni  Ni66  1  0.822668  0.912491  0.313257  1
  Ni  Ni67  1  0.513432  0.271922  0.298335  1
  Ni  Ni68  1  0.008755  0.277506  0.298457  1
  Ni  Ni69  1  0.645008  0.548891  0.328205  1
  Ni  Ni70  1  0.076991  0.911533  0.313131  1
  Ni  Ni71  1  0.142855  0.546628  0.327815  1
  Ni  Ni72  1  0.577147  0.912516  0.313260  1
  Ni  Ni73  1  0.245518  1.003770  0.349899  1
  Ni  Ni74  1  0.745208  1.003169  0.350068  1
  Ni  Ni75  1  0.678617  0.368374  0.335054  1
  Ni  Ni76  1  0.813594  0.640135  0.365656  1
  Ni  Ni77  1  0.880475  0.273788  0.383285  1
  Ni  Ni78  1  0.313758  0.640146  0.365658  1
  Ni  Ni79  1  0.458661  0.183970  0.342400  1
  Ni  Ni80  1  0.958730  0.182559  0.342541  1
  Ni  Ni81  1  0.596925  0.457769  0.374204  1
  Ni  Ni82  1  0.027444  0.819355  0.357505  1
  Ni  Ni83  1  0.098246  0.458216  0.375021  1
  Ni  Ni84  1  0.526675  0.819849  0.357685  1
  Ni  Ni85  1  0.212578  0.183971  0.342392  1
  Ni  Ni86  1  0.711089  0.182568  0.342552  1
  Ni  Ni87  1  0.348033  0.457779  0.374198  1
  Ni  Ni88  1  0.780399  0.819848  0.357680  1
  Ni  Ni89  1  0.847167  0.458188  0.375030  1
  Ni  Ni90  1  0.279159  0.819347  0.357515  1
  Ni  Ni91  1  0.948984  0.910379  0.398204  1
  Ni  Ni92  1  0.448539  0.910376  0.398240  1
  Ni  Ni93  1  0.381581  0.275983  0.381992  1
  Ni  Ni94  1  0.517461  0.547830  0.414269  1
  Ni  Ni95  1  0.585508  0.183826  0.430128  1
  Ni  Ni96  1  0.017618  0.548099  0.414494  1
  Ni  Ni97  1  0.166107  0.093785  0.390329  1
  Ni  Ni98  1  0.665241  0.092930  0.390585  1
  Ni  Ni99  1  0.301039  0.365716  0.421977  1
  Ni  Ni100  1  0.733718  0.729801  0.406076  1
  Ni  Ni101  1  0.800571  0.365480  0.422389  1
  Ni  Ni102  1  0.233408  0.729584  0.405971  1
  Ni  Ni103  1  0.914844  0.092939  0.390565  1
  Ni  Ni104  1  0.414861  0.093760  0.390351  1
  Ni  Ni105  1  0.052001  0.365515  0.422368  1
  Ni  Ni106  1  0.483209  0.729810  0.406098  1
  Ni  Ni107  1  0.551765  0.365691  0.421999  1
  Ni  Ni108  1  0.983323  0.729563  0.405953  1
  Ni  Ni109  1  0.653309  0.819615  0.445952  1
  Ni  Ni110  1  0.153421  0.819775  0.445849  1
  Ni  Ni111  1  0.085430  0.183898  0.430070  1
  Ni  Ni112  1  0.221592  0.455988  0.462169  1
  Ni  Ni113  1  0.289414  0.091864  0.478139  1
  Ni  Ni114  1  0.721361  0.455935  0.462190  1
  Ni  Ni115  1  0.868545  1.000805  0.437989  1
  Ni  Ni116  1  0.368686  1.001276  0.437921  1
  Ni  Ni117  1  1.005537  0.273889  0.470360  1
  Ni  Ni118  1  0.437365  0.637754  0.454240  1
  Ni  Ni119  1  0.505657  0.273884  0.470211  1
  Ni  Ni120  1  0.937217  0.637714  0.454203  1
  Ni  Ni121  1  0.619315  1.000786  0.438035  1
  Ni  Ni122  1  0.119637  1.001307  0.437875  1
  Ni  Ni123  1  0.755284  0.273811  0.470408  1
  Ni  Ni124  1  0.187596  0.637719  0.454227  1
  Ni  Ni125  1  0.255239  0.273958  0.470164  1
  Ni  Ni126  1  0.687304  0.637755  0.454214  1
  Ni  Ni127  1  0.357493  0.728082  0.494260  1
  Ni  Ni128  1  0.857443  0.727983  0.494123  1
  Ni  Ni129  1  0.789186  0.091452  0.478359  1
  Ni  Ni130  1  0.925449  0.364057  0.510252  1
  Ni  Ni131  1  0.993665  1.000481  0.525961  1
  Ni  Ni132  1  0.425439  0.363992  0.510128  1
  Ni  Ni133  1  0.573444  0.909796  0.486214  1
  Ni  Ni134  1  0.073756  0.910038  0.486050  1
  Ni  Ni135  1  0.709064  0.181849  0.518275  1
  Ni  Ni136  1  0.141657  0.546130  0.502258  1
  Ni  Ni137  1  0.209431  0.182123  0.518116  1
  Ni  Ni138  1  0.641296  0.545970  0.502186  1
  Ni  Ni139  1  0.323225  0.909951  0.486144  1
  Ni  Ni140  1  0.823269  0.909872  0.486121  1
  Ni  Ni141  1  0.459603  0.181930  0.518193  1
  Ni  Ni142  1  0.891467  0.546042  0.502225  1
  Ni  Ni143  1  0.959551  0.182050  0.518198  1
  Ni  Ni144  1  0.391446  0.546057  0.502219  1
  Ni  Ni145  1  0.061579  0.636140  0.542259  1
  Ni  Ni146  1  0.561314  0.636090  0.542272  1
  Ni  Ni147  1  0.493386  0.999970  0.526219  1
  Ni  Ni148  1  0.629412  0.272122  0.558484  1
  Ni  Ni149  1  0.697359  0.907776  0.574401  1
  Ni  Ni150  1  0.129526  0.272291  0.558366  1
  Ni  Ni151  1  0.277180  0.818096  0.534190  1
  Ni  Ni152  1  0.777288  0.818074  0.534003  1
  Ni  Ni153  1  0.414128  0.090549  0.566399  1
  Ni  Ni154  1  0.845739  0.454419  0.550232  1
  Ni  Ni155  1  0.914302  0.091154  0.566330  1
  Ni  Ni156  1  0.345603  0.454365  0.550164  1
  Ni  Ni157  1  0.027605  0.818144  0.533961  1
  Ni  Ni158  1  0.527685  0.818032  0.534229  1
  Ni  Ni159  1  0.163568  0.091170  0.566289  1
  Ni  Ni160  1  0.595365  0.454417  0.550208  1
  Ni  Ni161  1  0.663135  0.090521  0.566440  1
  Ni  Ni162  1  0.095599  0.454360  0.550190  1
  Ni  Ni163  1  0.765536  0.544439  0.589947  1
  Ni  Ni164  1  0.265648  0.544621  0.590103  1
  Ni  Ni165  1  0.197141  0.907840  0.574350  1
  Ni  Ni166  1  0.334414  0.181640  0.606019  1
  Ni  Ni167  1  0.401232  0.815872  0.622331  1
  Ni  Ni168  1  0.833849  0.181635  0.606050  1
  Ni  Ni169  1  0.982458  0.726516  0.582079  1
  Ni  Ni170  1  0.481998  0.726311  0.582542  1
  Ni  Ni171  1  0.117771  0.998942  0.613718  1
  Ni  Ni172  1  0.549593  0.362609  0.598334  1
  Ni  Ni173  1  0.616814  0.997937  0.613987  1
  Ni  Ni174  1  0.048987  0.362215  0.598165  1
  Ni  Ni175  1  0.730732  0.726484  0.582098  1
  Ni  Ni176  1  0.230998  0.726333  0.582524  1
  Ni  Ni177  1  0.867790  0.998937  0.613736  1
  Ni  Ni178  1  0.299867  0.362212  0.598145  1
  Ni  Ni179  1  0.367716  0.997963  0.613967  1
  Ni  Ni180  1  0.799640  0.362628  0.598350  1
  Ni  Ni181  1  0.469477  0.452348  0.638640  1
  Ni  Ni182  1  0.969432  0.452359  0.638642  1
  Ni  Ni183  1  0.902650  0.818692  0.620744  1
  Ni  Ni184  1  0.037734  0.088943  0.654167  1
  Ni  Ni185  1  0.102764  0.721189  0.670009  1
  Ni  Ni186  1  0.537585  0.088664  0.654288  1
  Ni  Ni187  1  0.683721  0.633378  0.629485  1
  Ni  Ni188  1  0.185868  0.634171  0.630283  1
  Ni  Ni189  1  0.824022  0.909890  0.661673  1
  Ni  Ni190  1  0.256587  0.272622  0.646471  1
  Ni  Ni191  1  0.324680  0.908588  0.661691  1
  Ni  Ni192  1  0.755613  0.273258  0.646650  1
  Ni  Ni193  1  0.434876  0.634166  0.630285  1
  Ni  Ni194  1  0.936216  0.633414  0.629475  1
  Ni  Ni195  1  0.570413  0.908577  0.661700  1
  Ni  Ni196  1  1.002574  0.272619  0.646475  1
  Ni  Ni197  1  0.072378  0.909865  0.661665  1
  Ni  Ni198  1  0.504165  0.273264  0.646642  1
  Ni  Ni199  1  0.172490  0.358558  0.683416  1
  Ni  Ni200  1  0.673913  0.361420  0.683993  1
  Ni  Ni201  1  0.604915  0.721166  0.670025  1
  Ni  Ni202  1  0.741919  0.995720  0.698561  1
  Ni  Ni203  1  0.814140  0.641799  0.710488  1
  Ni  Ni204  1  0.240205  0.995727  0.698551  1
  Ni  Ni205  1  0.391726  0.543199  0.675569  1
  Ni  Ni206  1  0.892737  0.546396  0.676207  1
  Ni  Ni207  1  0.538250  0.822543  0.705142  1
  Ni  Ni208  1  0.960634  0.179986  0.690902  1
  Ni  Ni209  1  0.026821  0.815238  0.705004  1
  Ni  Ni210  1  0.461565  0.181344  0.691001  1
  Ni  Ni211  1  0.137960  0.543191  0.675571  1
  Ni  Ni212  1  0.640140  0.546352  0.676218  1
  Ni  Ni213  1  0.270768  0.822547  0.705135  1
  Ni  Ni214  1  0.706193  0.181332  0.691011  1
  Ni  Ni215  1  0.774914  0.815277  0.705010  1
  Ni  Ni216  1  0.205800  0.179966  0.690901  1
