# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29108819
_cell_length_b   17.95734516
_cell_length_c   46.13838305
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al162 Ni162'
_cell_volume   8394.20163309
_cell_formula_units_Z   162
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  0.910703  0.686965  0.320004  1
  Al  Al2  1  0.572689  0.520407  0.320774  1
  Al  Al3  1  0.671054  0.714498  0.287092  1
  Al  Al4  1  0.058353  0.227538  0.271047  1
  Al  Al5  1  0.995538  0.384281  0.285066  1
  Al  Al6  1  0.941595  0.538786  0.300099  1
  Al  Al7  1  0.237719  0.357196  0.328236  1
  Al  Al8  1  0.341265  0.542587  0.286741  1
  Al  Al9  1  0.274187  0.698451  0.303767  1
  Al  Al10  1  0.724834  0.059145  0.270636  1
  Al  Al11  1  0.654371  0.220826  0.284865  1
  Al  Al12  1  0.611561  0.373314  0.299647  1
  Al  Al13  1  0.993016  0.887248  0.284642  1
  Al  Al14  1  0.953668  0.032577  0.304521  1
  Al  Al15  1  0.393280  0.891798  0.271010  1
  Al  Al16  1  0.322657  0.054786  0.284619  1
  Al  Al17  1  0.288145  0.200632  0.304540  1
  Al  Al18  1  0.614342  0.865381  0.305838  1
  Al  Al19  1  0.761125  0.652361  0.373823  1
  Al  Al20  1  0.428842  0.486570  0.373672  1
  Al  Al21  1  0.524519  0.679363  0.342251  1
  Al  Al22  1  0.906120  0.192409  0.327909  1
  Al  Al23  1  0.860839  0.342673  0.342721  1
  Al  Al24  1  0.808495  0.498104  0.358012  1
  Al  Al25  1  0.094024  0.321844  0.373158  1
  Al  Al26  1  0.193742  0.508410  0.343489  1
  Al  Al27  1  0.141536  0.665080  0.356496  1
  Al  Al28  1  0.574828  0.025230  0.327756  1
  Al  Al29  1  0.526000  0.178148  0.341612  1
  Al  Al30  1  0.475044  0.331556  0.358286  1
  Al  Al31  1  0.857624  0.846155  0.341945  1
  Al  Al32  1  0.807020  1.000127  0.356804  1
  Al  Al33  1  0.241803  0.858114  0.327194  1
  Al  Al34  1  0.190739  0.011626  0.341490  1
  Al  Al35  1  0.140685  0.166155  0.357273  1
  Al  Al36  1  0.474572  0.832328  0.356384  1
  Al  Al37  1  0.616555  0.616638  0.423342  1
  Al  Al38  1  0.283456  0.451582  0.425232  1
  Al  Al39  1  0.381208  0.640796  0.390019  1
  Al  Al40  1  0.760279  0.155941  0.372755  1
  Al  Al41  1  0.709751  0.308754  0.389476  1
  Al  Al42  1  0.662880  0.462055  0.406258  1
  Al  Al43  1  0.950792  0.284781  0.425279  1
  Al  Al44  1  0.044407  0.475496  0.389541  1
  Al  Al45  1  0.996597  0.628787  0.405993  1
  Al  Al46  1  0.427956  0.987829  0.373324  1
  Al  Al47  1  0.377576  0.140851  0.390427  1
  Al  Al48  1  0.331173  0.294024  0.407645  1
  Al  Al49  1  0.714748  0.807210  0.390230  1
  Al  Al50  1  0.664525  0.961637  0.407317  1
  Al  Al51  1  0.093663  0.819963  0.373194  1
  Al  Al52  1  0.044942  0.974727  0.390161  1
  Al  Al53  1  0.997908  0.127825  0.407322  1
  Al  Al54  1  0.330988  0.794722  0.406881  1
  Al  Al55  1  0.473447  0.581156  0.474050  1
  Al  Al56  1  0.139513  0.415110  0.473958  1
  Al  Al57  1  0.235805  0.605495  0.440946  1
  Al  Al58  1  0.618003  0.117571  0.425135  1
  Al  Al59  1  0.569360  0.271544  0.441128  1
  Al  Al60  1  0.520597  0.426306  0.457510  1
  Al  Al61  1  0.805947  0.248163  0.473785  1
  Al  Al62  1  0.902601  0.438442  0.441167  1
  Al  Al63  1  0.853797  0.592636  0.457214  1
  Al  Al64  1  0.284621  0.950502  0.424586  1
  Al  Al65  1  0.235611  0.104980  0.440743  1
  Al  Al66  1  0.186970  0.259742  0.457190  1
  Al  Al67  1  0.569367  0.772054  0.440648  1
  Al  Al68  1  0.520938  0.925578  0.456876  1
  Al  Al69  1  0.950645  0.782840  0.423007  1
  Al  Al70  1  0.902366  0.938713  0.440503  1
  Al  Al71  1  0.853588  0.092990  0.456922  1
  Al  Al72  1  0.187318  0.758940  0.456673  1
  Al  Al73  1  0.328950  0.545221  0.524158  1
  Al  Al74  1  0.995922  0.378592  0.524170  1
  Al  Al75  1  0.091425  0.569210  0.490556  1
  Al  Al76  1  0.473135  0.080441  0.473771  1
  Al  Al77  1  0.424601  0.235552  0.490562  1
  Al  Al78  1  0.376055  0.390145  0.507332  1
  Al  Al79  1  0.663274  0.211174  0.524322  1
  Al  Al80  1  0.757664  0.402550  0.490540  1
  Al  Al81  1  0.709372  0.556682  0.507254  1
  Al  Al82  1  0.139627  0.913625  0.473433  1
  Al  Al83  1  0.091711  0.068711  0.490344  1
  Al  Al84  1  0.043348  0.223208  0.507200  1
  Al  Al85  1  0.425912  0.735150  0.490661  1
  Al  Al86  1  0.377581  0.889261  0.507312  1
  Al  Al87  1  0.806549  0.747314  0.473809  1
  Al  Al88  1  0.759378  0.901625  0.490573  1
  Al  Al89  1  0.711042  0.056013  0.507457  1
  Al  Al90  1  0.043234  0.723100  0.507108  1
  Al  Al91  1  0.185179  0.509535  0.574614  1
  Al  Al92  1  0.851239  0.342598  0.574187  1
  Al  Al93  1  0.947469  0.533148  0.540746  1
  Al  Al94  1  0.329748  0.044031  0.524084  1
  Al  Al95  1  0.281388  0.199033  0.540754  1
  Al  Al96  1  0.232850  0.353035  0.556933  1
  Al  Al97  1  0.517672  0.174703  0.572804  1
  Al  Al98  1  0.614818  0.366005  0.541049  1
  Al  Al99  1  0.566249  0.519533  0.556946  1
  Al  Al100  1  0.996046  0.877250  0.523790  1
  Al  Al101  1  0.948034  0.032135  0.540429  1
  Al  Al102  1  0.899593  0.186453  0.556728  1
  Al  Al103  1  0.280783  0.699661  0.540535  1
  Al  Al104  1  0.232416  0.853403  0.556395  1
  Al  Al105  1  0.662565  0.710960  0.523999  1
  Al  Al106  1  0.614772  0.865528  0.540494  1
  Al  Al107  1  0.566384  0.019914  0.556638  1
  Al  Al108  1  0.899005  0.686491  0.556577  1
  Al  Al109  1  0.041933  0.472553  0.623774  1
  Al  Al110  1  0.710066  0.303459  0.624609  1
  Al  Al111  1  0.805264  0.496380  0.591377  1
  Al  Al112  1  0.184875  0.007731  0.572560  1
  Al  Al113  1  0.137903  0.163736  0.590013  1
  Al  Al114  1  0.088186  0.317877  0.607189  1
  Al  Al115  1  0.375502  0.136520  0.624720  1
  Al  Al116  1  0.471020  0.330248  0.590169  1
  Al  Al117  1  0.420089  0.484628  0.607412  1
  Al  Al118  1  0.852316  0.842046  0.574045  1
  Al  Al119  1  0.805253  0.996510  0.591025  1
  Al  Al120  1  0.758144  0.150006  0.608253  1
  Al  Al121  1  0.139028  0.663076  0.591447  1
  Al  Al122  1  0.088531  0.817046  0.608170  1
  Al  Al123  1  0.518927  0.675911  0.574531  1
  Al  Al124  1  0.472026  0.829935  0.591345  1
  Al  Al125  1  0.424442  0.983267  0.608244  1
  Al  Al126  1  0.754309  0.650439  0.608250  1
  Al  Al127  1  0.895986  0.437226  0.675592  1
  Al  Al128  1  0.560531  0.267774  0.670312  1
  Al  Al129  1  0.660633  0.459589  0.641078  1
  Al  Al130  1  0.041269  0.970515  0.624497  1
  Al  Al131  1  0.993210  0.126555  0.640011  1
  Al  Al132  1  0.944411  0.278632  0.655421  1
  Al  Al133  1  0.230781  0.101537  0.669871  1
  Al  Al134  1  0.327580  0.292537  0.641013  1
  Al  Al135  1  0.279012  0.445017  0.655134  1
  Al  Al136  1  0.708802  0.804679  0.624373  1
  Al  Al137  1  0.658684  0.960460  0.639421  1
  Al  Al138  1  0.608908  0.115069  0.655214  1
  Al  Al139  1  0.992728  0.627288  0.640305  1
  Al  Al140  1  0.941408  0.780249  0.654160  1
  Al  Al141  1  0.374777  0.639652  0.623746  1
  Al  Al142  1  0.325040  0.794473  0.639880  1
  Al  Al143  1  0.275399  0.948590  0.654631  1
  Al  Al144  1  0.610137  0.613072  0.654356  1
  Al  Al145  1  0.751545  0.402697  0.724296  1
  Al  Al146  1  0.412039  0.234920  0.726727  1
  Al  Al147  1  0.520070  0.425557  0.691641  1
  Al  Al148  1  0.897361  0.938075  0.676544  1
  Al  Al149  1  0.849256  0.086152  0.695367  1
  Al  Al150  1  0.811122  0.234122  0.714042  1
  Al  Al151  1  0.083306  0.066172  0.725649  1
  Al  Al152  1  0.183730  0.259728  0.691998  1
  Al  Al153  1  0.127478  0.409826  0.710893  1
  Al  Al154  1  0.562708  0.772179  0.677151  1
  Al  Al155  1  0.522160  0.918300  0.697337  1
  Al  Al156  1  0.476588  0.072128  0.713235  1
  Al  Al157  1  0.864970  0.584240  0.697306  1
  Al  Al158  1  0.792127  0.747082  0.710842  1
  Al  Al159  1  0.228108  0.605622  0.677342  1
  Al  Al160  1  0.195478  0.750848  0.696925  1
  Al  Al161  1  0.130359  0.910481  0.711191  1
  Al  Al162  1  0.459913  0.578676  0.710791  1
  Ni  Ni163  1  0.734598  0.606331  0.324041  1
  Ni  Ni164  1  0.402814  0.437803  0.323610  1
  Ni  Ni165  1  0.500253  0.636331  0.294242  1
  Ni  Ni166  1  0.883319  0.151685  0.279634  1
  Ni  Ni167  1  0.840336  0.294642  0.294015  1
  Ni  Ni168  1  0.790781  0.447218  0.309691  1
  Ni  Ni169  1  0.229390  0.321056  0.279453  1
  Ni  Ni170  1  0.172747  0.461016  0.295121  1
  Ni  Ni171  1  0.126120  0.607882  0.308863  1
  Ni  Ni172  1  0.550869  0.983270  0.279690  1
  Ni  Ni173  1  0.509215  0.126333  0.293333  1
  Ni  Ni174  1  0.447585  0.287712  0.308715  1
  Ni  Ni175  1  0.836754  0.803089  0.293687  1
  Ni  Ni176  1  0.778870  0.951483  0.307488  1
  Ni  Ni177  1  0.217502  0.817000  0.279271  1
  Ni  Ni178  1  0.176850  0.961177  0.293112  1
  Ni  Ni179  1  0.112892  0.119753  0.307870  1
  Ni  Ni180  1  0.445978  0.781523  0.307067  1
  Ni  Ni181  1  0.593849  0.568608  0.372551  1
  Ni  Ni182  1  0.263522  0.403313  0.376798  1
  Ni  Ni183  1  0.358212  0.593647  0.339272  1
  Ni  Ni184  1  0.738469  0.110476  0.321819  1
  Ni  Ni185  1  0.684818  0.265540  0.337170  1
  Ni  Ni186  1  0.640681  0.414034  0.354705  1
  Ni  Ni187  1  0.071734  0.275684  0.322234  1
  Ni  Ni188  1  0.017882  0.431212  0.337632  1
  Ni  Ni189  1  0.973407  0.580784  0.354531  1
  Ni  Ni190  1  0.403232  0.945006  0.322199  1
  Ni  Ni191  1  0.354766  0.094989  0.338939  1
  Ni  Ni192  1  0.309253  0.245825  0.357020  1
  Ni  Ni193  1  0.694662  0.759401  0.339731  1
  Ni  Ni194  1  0.641872  0.913396  0.357022  1
  Ni  Ni195  1  0.068260  0.777868  0.321971  1
  Ni  Ni196  1  0.022263  0.928011  0.339066  1
  Ni  Ni197  1  0.975029  0.080242  0.356621  1
  Ni  Ni198  1  0.307871  0.746067  0.356157  1
  Ni  Ni199  1  0.450191  0.533881  0.423940  1
  Ni  Ni200  1  0.116988  0.368170  0.423634  1
  Ni  Ni201  1  0.214187  0.558711  0.391598  1
  Ni  Ni202  1  0.595652  0.072064  0.376084  1
  Ni  Ni203  1  0.546131  0.223680  0.391566  1
  Ni  Ni204  1  0.496126  0.379128  0.407915  1
  Ni  Ni205  1  0.929882  0.237765  0.376578  1
  Ni  Ni206  1  0.879990  0.391021  0.391807  1
  Ni  Ni207  1  0.830955  0.545048  0.407618  1
  Ni  Ni208  1  0.261926  0.904644  0.375517  1
  Ni  Ni209  1  0.212657  0.057733  0.391036  1
  Ni  Ni210  1  0.162451  0.212948  0.407213  1
  Ni  Ni211  1  0.546993  0.725890  0.391066  1
  Ni  Ni212  1  0.497672  0.878697  0.406654  1
  Ni  Ni213  1  0.927047  0.734868  0.372119  1
  Ni  Ni214  1  0.879435  0.892411  0.390927  1
  Ni  Ni215  1  0.829412  0.046622  0.406781  1
  Ni  Ni216  1  0.165046  0.711389  0.406605  1
  Ni  Ni217  1  0.306709  0.498354  0.474544  1
  Ni  Ni218  1  0.973395  0.331513  0.474644  1
  Ni  Ni219  1  0.067706  0.522550  0.440122  1
  Ni  Ni220  1  0.450718  0.033941  0.423725  1
  Ni  Ni221  1  0.402104  0.187860  0.440712  1
  Ni  Ni222  1  0.354000  0.342715  0.457408  1
  Ni  Ni223  1  0.783653  0.201492  0.423398  1
  Ni  Ni224  1  0.734248  0.355675  0.440111  1
  Ni  Ni225  1  0.686785  0.509500  0.456798  1
  Ni  Ni226  1  0.116735  0.867017  0.423402  1
  Ni  Ni227  1  0.069032  0.021332  0.440434  1
  Ni  Ni228  1  0.020694  0.175828  0.457281  1
  Ni  Ni229  1  0.403227  0.688135  0.440405  1
  Ni  Ni230  1  0.354310  0.841947  0.457161  1
  Ni  Ni231  1  0.783378  0.699961  0.423846  1
  Ni  Ni232  1  0.737032  0.854497  0.440434  1
  Ni  Ni233  1  0.687854  0.008757  0.457431  1
  Ni  Ni234  1  0.019977  0.675908  0.456655  1
  Ni  Ni235  1  0.162304  0.462105  0.524273  1
  Ni  Ni236  1  0.829162  0.295200  0.523970  1
  Ni  Ni237  1  0.924731  0.485895  0.490905  1
  Ni  Ni238  1  0.306767  0.997193  0.474236  1
  Ni  Ni239  1  0.258566  0.151970  0.490713  1
  Ni  Ni240  1  0.209676  0.306575  0.507104  1
  Ni  Ni241  1  0.640111  0.164242  0.474661  1
  Ni  Ni242  1  0.591519  0.318893  0.491058  1
  Ni  Ni243  1  0.542939  0.473091  0.507297  1
  Ni  Ni244  1  0.973205  0.830278  0.473416  1
  Ni  Ni245  1  0.925505  0.985276  0.490437  1
  Ni  Ni246  1  0.876779  0.139757  0.506870  1
  Ni  Ni247  1  0.258475  0.652492  0.490681  1
  Ni  Ni248  1  0.210220  0.806098  0.506614  1
  Ni  Ni249  1  0.639895  0.664070  0.473668  1
  Ni  Ni250  1  0.592301  0.818614  0.490572  1
  Ni  Ni251  1  0.543969  0.972632  0.506847  1
  Ni  Ni252  1  0.876408  0.639656  0.506950  1
  Ni  Ni253  1  0.019162  0.425506  0.573908  1
  Ni  Ni254  1  0.686259  0.257521  0.574385  1
  Ni  Ni255  1  0.781498  0.449667  0.540815  1
  Ni  Ni256  1  0.162124  0.960814  0.523096  1
  Ni  Ni257  1  0.114495  0.115946  0.540186  1
  Ni  Ni258  1  0.065177  0.270710  0.557098  1
  Ni  Ni259  1  0.495750  0.127681  0.523377  1
  Ni  Ni260  1  0.447842  0.282890  0.540321  1
  Ni  Ni261  1  0.398249  0.437442  0.557258  1
  Ni  Ni262  1  0.828997  0.794535  0.523915  1
  Ni  Ni263  1  0.781874  0.948816  0.540764  1
  Ni  Ni264  1  0.733711  0.103274  0.557675  1
  Ni  Ni265  1  0.114809  0.616226  0.540918  1
  Ni  Ni266  1  0.066121  0.769859  0.557605  1
  Ni  Ni267  1  0.495680  0.628257  0.524321  1
  Ni  Ni268  1  0.448514  0.782399  0.540955  1
  Ni  Ni269  1  0.400693  0.936322  0.557628  1
  Ni  Ni270  1  0.732246  0.603424  0.557707  1
  Ni  Ni271  1  0.874851  0.389583  0.624787  1
  Ni  Ni272  1  0.539322  0.221387  0.621702  1
  Ni  Ni273  1  0.637272  0.413061  0.591199  1
  Ni  Ni274  1  0.019177  0.924397  0.574068  1
  Ni  Ni275  1  0.972315  0.078915  0.590327  1
  Ni  Ni276  1  0.923031  0.233371  0.606061  1
  Ni  Ni277  1  0.352563  0.090584  0.574274  1
  Ni  Ni278  1  0.305113  0.245862  0.590941  1
  Ni  Ni279  1  0.255652  0.399110  0.606365  1
  Ni  Ni280  1  0.686301  0.758159  0.574144  1
  Ni  Ni281  1  0.638164  0.912645  0.590163  1
  Ni  Ni282  1  0.588922  0.067758  0.605913  1
  Ni  Ni283  1  0.969727  0.580694  0.590547  1
  Ni  Ni284  1  0.921310  0.732684  0.605718  1
  Ni  Ni285  1  0.352782  0.592254  0.573874  1
  Ni  Ni286  1  0.303371  0.747361  0.590230  1
  Ni  Ni287  1  0.254548  0.900704  0.605698  1
  Ni  Ni288  1  0.588059  0.565496  0.606139  1
  Ni  Ni289  1  0.734197  0.346685  0.675047  1
  Ni  Ni290  1  0.398836  0.181901  0.675703  1
  Ni  Ni291  1  0.494842  0.378000  0.640311  1
  Ni  Ni292  1  0.873344  0.890752  0.624530  1
  Ni  Ni293  1  0.827956  0.043504  0.642188  1
  Ni  Ni294  1  0.781608  0.194958  0.660329  1
  Ni  Ni295  1  0.205148  0.054823  0.621443  1
  Ni  Ni296  1  0.160431  0.211806  0.640338  1
  Ni  Ni297  1  0.109376  0.364762  0.657726  1
  Ni  Ni298  1  0.540678  0.724758  0.625172  1
  Ni  Ni299  1  0.495089  0.877242  0.642746  1
  Ni  Ni300  1  0.449635  0.027332  0.660347  1
  Ni  Ni301  1  0.829232  0.544227  0.642622  1
  Ni  Ni302  1  0.778528  0.694706  0.659587  1
  Ni  Ni303  1  0.208523  0.557402  0.625531  1
  Ni  Ni304  1  0.162001  0.710847  0.642751  1
  Ni  Ni305  1  0.112441  0.861383  0.659522  1
  Ni  Ni306  1  0.441650  0.532213  0.657913  1
  Ni  Ni307  1  0.588845  0.310134  0.718230  1
  Ni  Ni308  1  0.251645  0.143402  0.718122  1
  Ni  Ni309  1  0.353147  0.342162  0.690506  1
  Ni  Ni310  1  0.734232  0.853866  0.673727  1
  Ni  Ni311  1  0.677243  0.008070  0.687955  1
  Ni  Ni312  1  0.625273  0.164552  0.703863  1
  Ni  Ni313  1  0.066606  0.019280  0.674098  1
  Ni  Ni314  1  0.020882  0.172735  0.689530  1
  Ni  Ni315  1  0.960531  0.322307  0.703960  1
  Ni  Ni316  1  0.403066  0.685858  0.673365  1
  Ni  Ni317  1  0.340953  0.845249  0.688234  1
  Ni  Ni318  1  0.295414  0.997053  0.703141  1
  Ni  Ni319  1  0.679172  0.512653  0.689526  1
  Ni  Ni320  1  0.635728  0.654178  0.702505  1
  Ni  Ni321  1  0.070212  0.517732  0.673589  1
  Ni  Ni322  1  0.007862  0.679181  0.688629  1
  Ni  Ni323  1  0.967909  0.821701  0.702348  1
  Ni  Ni324  1  0.297904  0.488071  0.703450  1
