# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07779412
_cell_length_b   17.34688153
_cell_length_c   51.21406937
_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   6994.63860461
_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  0.469904  0.983057  0.310554  1
  Al  Al2  1  0.167960  0.369587  0.265370  1
  Al  Al3  1  0.318427  0.679105  0.281036  1
  Al  Al4  1  0.157213  0.854435  0.265406  1
  Al  Al5  1  0.311453  0.166651  0.288534  1
  Al  Al6  1  0.474904  0.492715  0.323781  1
  Al  Al7  1  0.657213  0.854435  0.265406  1
  Al  Al8  1  0.811453  0.166651  0.288534  1
  Al  Al9  1  0.974904  0.492715  0.323781  1
  Al  Al10  1  0.969904  0.983057  0.310554  1
  Al  Al11  1  0.667960  0.369587  0.265370  1
  Al  Al12  1  0.818427  0.679105  0.281036  1
  Al  Al13  1  0.939318  0.924751  0.387589  1
  Al  Al14  1  0.627577  0.300009  0.337668  1
  Al  Al15  1  0.788198  0.620763  0.366114  1
  Al  Al16  1  0.624600  0.793503  0.346922  1
  Al  Al17  1  0.778711  0.103587  0.369225  1
  Al  Al18  1  0.936442  0.419720  0.396952  1
  Al  Al19  1  0.124600  0.793503  0.346922  1
  Al  Al20  1  0.278711  0.103587  0.369225  1
  Al  Al21  1  0.436442  0.419720  0.396952  1
  Al  Al22  1  0.439318  0.924751  0.387589  1
  Al  Al23  1  0.127577  0.300009  0.337668  1
  Al  Al24  1  0.288198  0.620763  0.366114  1
  Al  Al25  1  0.409961  0.868256  0.468677  1
  Al  Al26  1  0.092857  0.233280  0.411936  1
  Al  Al27  1  0.253070  0.553349  0.444547  1
  Al  Al28  1  0.095584  0.738064  0.428025  1
  Al  Al29  1  0.246596  0.041763  0.450041  1
  Al  Al30  1  0.400164  0.349928  0.473129  1
  Al  Al31  1  0.595584  0.738064  0.428025  1
  Al  Al32  1  0.746596  0.041763  0.450041  1
  Al  Al33  1  0.900164  0.349928  0.473129  1
  Al  Al34  1  0.909961  0.868256  0.468677  1
  Al  Al35  1  0.592857  0.233280  0.411936  1
  Al  Al36  1  0.753070  0.553349  0.444547  1
  Al  Al37  1  0.878341  0.806819  0.550317  1
  Al  Al38  1  0.560520  0.170744  0.490939  1
  Al  Al39  1  0.716572  0.483460  0.518779  1
  Al  Al40  1  0.562103  0.673842  0.504196  1
  Al  Al41  1  0.716565  0.983281  0.532117  1
  Al  Al42  1  0.867883  0.287589  0.553073  1
  Al  Al43  1  0.062103  0.673842  0.504196  1
  Al  Al44  1  0.216565  0.983281  0.532117  1
  Al  Al45  1  0.367883  0.287589  0.553073  1
  Al  Al46  1  0.378341  0.806819  0.550317  1
  Al  Al47  1  0.060520  0.170744  0.490939  1
  Al  Al48  1  0.216572  0.483460  0.518779  1
  Al  Al49  1  0.338780  0.731459  0.625272  1
  Al  Al50  1  0.030382  0.112168  0.571888  1
  Al  Al51  1  0.182636  0.418760  0.594616  1
  Al  Al52  1  0.025097  0.602825  0.578888  1
  Al  Al53  1  0.186458  0.923993  0.612491  1
  Al  Al54  1  0.338183  0.230422  0.634199  1
  Al  Al55  1  0.525097  0.602825  0.578888  1
  Al  Al56  1  0.686458  0.923993  0.612491  1
  Al  Al57  1  0.838183  0.230422  0.634199  1
  Al  Al58  1  0.838780  0.731459  0.625272  1
  Al  Al59  1  0.530382  0.112168  0.571888  1
  Al  Al60  1  0.682636  0.418760  0.594616  1
  Al  Al61  1  0.796427  0.664467  0.703876  1
  Al  Al62  1  0.501987  0.056725  0.653716  1
  Al  Al63  1  0.650688  0.358658  0.674139  1
  Al  Al64  1  0.488096  0.534191  0.656001  1
  Al  Al65  1  0.648025  0.856512  0.681150  1
  Al  Al66  1  0.809340  0.171746  0.718572  1
  Al  Al67  1  0.988096  0.534191  0.656001  1
  Al  Al68  1  0.148025  0.856512  0.681150  1
  Al  Al69  1  0.309340  0.171746  0.718572  1
  Al  Al70  1  0.296427  0.664467  0.703876  1
  Al  Al71  1  1.001987  0.056725  0.653716  1
  Al  Al72  1  0.150688  0.358658  0.674139  1
  Ni  Ni73  1  0.677788  0.898505  0.312279  1
  Ni  Ni74  1  0.833576  0.212095  0.334980  1
  Ni  Ni75  1  0.527779  0.596762  0.290267  1
  Ni  Ni76  1  0.394096  0.830252  0.295556  1
  Ni  Ni77  1  0.546355  0.137415  0.321596  1
  Ni  Ni78  1  0.242623  0.524504  0.276508  1
  Ni  Ni79  1  0.756508  0.057353  0.323938  1
  Ni  Ni80  1  0.455285  0.447783  0.279056  1
  Ni  Ni81  1  0.602230  0.746955  0.300845  1
  Ni  Ni82  1  0.522465  0.087680  0.277765  1
  Ni  Ni83  1  0.687840  0.417591  0.309764  1
  Ni  Ni84  1  0.840239  0.723940  0.329223  1
  Ni  Ni85  1  0.232332  1.006956  0.279806  1
  Ni  Ni86  1  0.391669  0.327748  0.304971  1
  Ni  Ni87  1  0.550226  0.643973  0.336584  1
  Ni  Ni88  1  0.450738  0.942562  0.265513  1
  Ni  Ni89  1  0.603464  0.251469  0.293260  1
  Ni  Ni90  1  0.766971  0.577045  0.319861  1
  Ni  Ni91  1  0.022465  0.087680  0.277765  1
  Ni  Ni92  1  0.187840  0.417591  0.309764  1
  Ni  Ni93  1  0.340239  0.723940  0.329223  1
  Ni  Ni94  1  0.732332  1.006956  0.279806  1
  Ni  Ni95  1  0.891669  0.327748  0.304971  1
  Ni  Ni96  1  0.050226  0.643973  0.336584  1
  Ni  Ni97  1  0.950738  0.942562  0.265513  1
  Ni  Ni98  1  0.103464  0.251469  0.293260  1
  Ni  Ni99  1  0.266971  0.577045  0.319861  1
  Ni  Ni100  1  0.177788  0.898505  0.312279  1
  Ni  Ni101  1  0.333576  0.212095  0.334980  1
  Ni  Ni102  1  0.027779  0.596762  0.290267  1
  Ni  Ni103  1  0.894096  0.830252  0.295556  1
  Ni  Ni104  1  0.046355  0.137415  0.321596  1
  Ni  Ni105  1  0.742623  0.524504  0.276508  1
  Ni  Ni106  1  0.256508  0.057353  0.323938  1
  Ni  Ni107  1  0.955285  0.447783  0.279056  1
  Ni  Ni108  1  0.102230  0.746955  0.300845  1
  Ni  Ni109  1  0.147939  0.841648  0.393107  1
  Ni  Ni110  1  0.300446  0.148397  0.415509  1
  Ni  Ni111  1  0.996353  0.536890  0.369446  1
  Ni  Ni112  1  0.863347  0.771910  0.376174  1
  Ni  Ni113  1  0.016041  0.079085  0.399430  1
  Ni  Ni114  1  0.711497  0.466711  0.353693  1
  Ni  Ni115  1  0.224433  0.995896  0.403893  1
  Ni  Ni116  1  0.914688  0.374919  0.351059  1
  Ni  Ni117  1  0.072843  0.690890  0.382541  1
  Ni  Ni118  1  0.993074  0.031370  0.354605  1
  Ni  Ni119  1  0.150565  0.347125  0.382250  1
  Ni  Ni120  1  0.310088  0.666316  0.411998  1
  Ni  Ni121  1  0.700946  0.947203  0.357993  1
  Ni  Ni122  1  0.855570  0.258023  0.381510  1
  Ni  Ni123  1  0.017985  0.582446  0.414672  1
  Ni  Ni124  1  0.915562  0.875811  0.341792  1
  Ni  Ni125  1  0.069999  0.186599  0.366422  1
  Ni  Ni126  1  0.231861  0.509784  0.399098  1
  Ni  Ni127  1  0.493074  0.031370  0.354605  1
  Ni  Ni128  1  0.650565  0.347125  0.382250  1
  Ni  Ni129  1  0.810088  0.666316  0.411998  1
  Ni  Ni130  1  0.200946  0.947203  0.357993  1
  Ni  Ni131  1  0.355570  0.258023  0.381510  1
  Ni  Ni132  1  0.517985  0.582446  0.414672  1
  Ni  Ni133  1  0.415562  0.875811  0.341792  1
  Ni  Ni134  1  0.569999  0.186599  0.366422  1
  Ni  Ni135  1  0.731861  0.509784  0.399098  1
  Ni  Ni136  1  0.647939  0.841648  0.393107  1
  Ni  Ni137  1  0.800446  0.148397  0.415509  1
  Ni  Ni138  1  0.496353  0.536890  0.369446  1
  Ni  Ni139  1  0.363347  0.771910  0.376174  1
  Ni  Ni140  1  0.516041  0.079085  0.399430  1
  Ni  Ni141  1  0.211497  0.466711  0.353693  1
  Ni  Ni142  1  0.724433  0.995896  0.403893  1
  Ni  Ni143  1  0.414688  0.374919  0.351059  1
  Ni  Ni144  1  0.572843  0.690890  0.382541  1
  Ni  Ni145  1  0.618766  0.785510  0.474077  1
  Ni  Ni146  1  0.768725  0.086926  0.496790  1
  Ni  Ni147  1  0.458368  0.464383  0.442755  1
  Ni  Ni148  1  0.333775  0.715182  0.457754  1
  Ni  Ni149  1  0.485363  0.019809  0.479167  1
  Ni  Ni150  1  0.171968  0.391302  0.427531  1
  Ni  Ni151  1  0.694358  0.937813  0.485821  1
  Ni  Ni152  1  0.377967  0.304162  0.427536  1
  Ni  Ni153  1  0.539889  0.627926  0.459398  1
  Ni  Ni154  1  0.462313  0.972333  0.433091  1
  Ni  Ni155  1  0.614235  0.277419  0.457493  1
  Ni  Ni156  1  0.775482  0.599691  0.489370  1
  Ni  Ni157  1  0.171293  0.890265  0.439335  1
  Ni  Ni158  1  0.322183  0.193606  0.461801  1
  Ni  Ni159  1  0.480406  0.510455  0.488406  1
  Ni  Ni160  1  0.386879  0.820938  0.422374  1
  Ni  Ni161  1  0.538562  0.125948  0.444835  1
  Ni  Ni162  1  0.693767  0.436881  0.473246  1
  Ni  Ni163  1  0.962313  0.972333  0.433091  1
  Ni  Ni164  1  0.114235  0.277419  0.457493  1
  Ni  Ni165  1  0.275482  0.599691  0.489370  1
  Ni  Ni166  1  0.671293  0.890265  0.439335  1
  Ni  Ni167  1  0.822183  0.193606  0.461801  1
  Ni  Ni168  1  0.980406  0.510455  0.488406  1
  Ni  Ni169  1  0.886879  0.820938  0.422374  1
  Ni  Ni170  1  0.038562  0.125948  0.444835  1
  Ni  Ni171  1  0.193767  0.436881  0.473246  1
  Ni  Ni172  1  0.118766  0.785510  0.474077  1
  Ni  Ni173  1  0.268725  0.086926  0.496790  1
  Ni  Ni174  1  0.958368  0.464383  0.442755  1
  Ni  Ni175  1  0.833775  0.715182  0.457754  1
  Ni  Ni176  1  0.985363  0.019809  0.479167  1
  Ni  Ni177  1  0.671968  0.391302  0.427531  1
  Ni  Ni178  1  0.194358  0.937813  0.485821  1
  Ni  Ni179  1  0.877967  0.304162  0.427536  1
  Ni  Ni180  1  0.039889  0.627926  0.459398  1
  Ni  Ni181  1  0.083877  0.718485  0.549450  1
  Ni  Ni182  1  0.239302  0.029453  0.578532  1
  Ni  Ni183  1  0.922345  0.395223  0.518961  1
  Ni  Ni184  1  0.797866  0.646032  0.534131  1
  Ni  Ni185  1  0.955333  0.961180  0.561251  1
  Ni  Ni186  1  0.636286  0.322877  0.503113  1
  Ni  Ni187  1  0.163977  0.878566  0.566662  1
  Ni  Ni188  1  0.845073  0.240550  0.507636  1
  Ni  Ni189  1  1.003220  0.557593  0.533585  1
  Ni  Ni190  1  0.932498  0.914519  0.514640  1
  Ni  Ni191  1  0.082806  0.216568  0.536707  1
  Ni  Ni192  1  0.239084  0.530005  0.563935  1
  Ni  Ni193  1  0.641910  0.833293  0.520336  1
  Ni  Ni194  1  0.791585  0.134146  0.542912  1
  Ni  Ni195  1  0.944718  0.442009  0.564805  1
  Ni  Ni196  1  0.856445  0.762272  0.503873  1
  Ni  Ni197  1  0.007891  0.066324  0.525450  1
  Ni  Ni198  1  0.159627  0.371320  0.548799  1
  Ni  Ni199  1  0.432498  0.914519  0.514640  1
  Ni  Ni200  1  0.582806  0.216568  0.536707  1
  Ni  Ni201  1  0.739084  0.530005  0.563935  1
  Ni  Ni202  1  0.141910  0.833293  0.520336  1
  Ni  Ni203  1  0.291585  0.134146  0.542912  1
  Ni  Ni204  1  0.444718  0.442009  0.564805  1
  Ni  Ni205  1  0.356445  0.762272  0.503873  1
  Ni  Ni206  1  0.507891  0.066324  0.525450  1
  Ni  Ni207  1  0.659627  0.371320  0.548799  1
  Ni  Ni208  1  0.583877  0.718485  0.549450  1
  Ni  Ni209  1  0.739302  0.029453  0.578532  1
  Ni  Ni210  1  0.422345  0.395223  0.518961  1
  Ni  Ni211  1  0.297866  0.646032  0.534131  1
  Ni  Ni212  1  0.455333  0.961180  0.561251  1
  Ni  Ni213  1  0.136286  0.322877  0.503113  1
  Ni  Ni214  1  0.663977  0.878566  0.566662  1
  Ni  Ni215  1  0.345073  0.240550  0.507636  1
  Ni  Ni216  1  0.503220  0.557593  0.533585  1
  Ni  Ni217  1  0.545739  0.645437  0.624811  1
  Ni  Ni218  1  0.712608  0.976844  0.657674  1
  Ni  Ni219  1  0.390491  0.334362  0.599188  1
  Ni  Ni220  1  0.260893  0.575413  0.609580  1
  Ni  Ni221  1  0.422961  0.897738  0.643458  1
  Ni  Ni222  1  0.106268  0.265119  0.582383  1
  Ni  Ni223  1  0.624534  0.803763  0.638804  1
  Ni  Ni224  1  0.315330  0.183055  0.588590  1
  Ni  Ni225  1  0.467366  0.489222  0.610503  1
  Ni  Ni226  1  0.400067  0.851161  0.596709  1
  Ni  Ni227  1  0.553764  0.160400  0.617263  1
  Ni  Ni228  1  0.703949  0.464327  0.640448  1
  Ni  Ni229  1  0.104143  0.761112  0.594561  1
  Ni  Ni230  1  0.263953  0.080213  0.624065  1
  Ni  Ni231  1  0.412475  0.381240  0.645548  1
  Ni  Ni232  1  0.318771  0.689931  0.579521  1
  Ni  Ni233  1  0.478010  1.007797  0.607942  1
  Ni  Ni234  1  0.629297  0.313531  0.628044  1
  Ni  Ni235  1  0.900067  0.851161  0.596709  1
  Ni  Ni236  1  0.053764  0.160400  0.617263  1
  Ni  Ni237  1  0.203949  0.464327  0.640448  1
  Ni  Ni238  1  0.604143  0.761112  0.594561  1
  Ni  Ni239  1  0.763953  0.080213  0.624065  1
  Ni  Ni240  1  0.912475  0.381240  0.645548  1
  Ni  Ni241  1  0.818771  0.689931  0.579521  1
  Ni  Ni242  1  0.978010  1.007797  0.607942  1
  Ni  Ni243  1  0.129297  0.313531  0.628044  1
  Ni  Ni244  1  0.045739  0.645437  0.624811  1
  Ni  Ni245  1  0.212608  0.976844  0.657674  1
  Ni  Ni246  1  0.890491  0.334362  0.599188  1
  Ni  Ni247  1  0.760893  0.575413  0.609580  1
  Ni  Ni248  1  0.922961  0.897738  0.643458  1
  Ni  Ni249  1  0.606268  0.265119  0.582383  1
  Ni  Ni250  1  0.124534  0.803763  0.638804  1
  Ni  Ni251  1  0.815330  0.183055  0.588590  1
  Ni  Ni252  1  0.967366  0.489222  0.610503  1
  Ni  Ni253  1  0.005231  0.577911  0.701313  1
  Ni  Ni254  1  0.153706  0.901995  0.724295  1
  Ni  Ni255  1  0.859665  0.274836  0.680383  1
  Ni  Ni256  1  0.723695  0.510113  0.686564  1
  Ni  Ni257  1  0.870818  0.827499  0.713431  1
  Ni  Ni258  1  0.577410  0.208976  0.662783  1
  Ni  Ni259  1  0.083688  0.748183  0.712309  1
  Ni  Ni260  1  0.788314  0.129620  0.670323  1
  Ni  Ni261  1  0.934605  0.429440  0.691718  1
  Ni  Ni262  1  0.858753  0.773739  0.670724  1
  Ni  Ni263  1  0.026950  0.104979  0.698854  1
  Ni  Ni264  1  0.171989  0.404065  0.719016  1
  Ni  Ni265  1  0.566410  0.689825  0.670165  1
  Ni  Ni266  1  0.738565  0.024940  0.702984  1
  Ni  Ni267  1  0.883366  0.324315  0.723802  1
  Ni  Ni268  1  0.782021  0.620578  0.656266  1
  Ni  Ni269  1  0.948761  0.950225  0.689481  1
  Ni  Ni270  1  0.100058  0.255498  0.708799  1
  Ni  Ni271  1  0.358753  0.773739  0.670724  1
  Ni  Ni272  1  0.526950  0.104979  0.698854  1
  Ni  Ni273  1  0.671989  0.404065  0.719016  1
  Ni  Ni274  1  0.066410  0.689825  0.670165  1
  Ni  Ni275  1  0.238565  0.024940  0.702984  1
  Ni  Ni276  1  0.383366  0.324315  0.723802  1
  Ni  Ni277  1  0.282021  0.620578  0.656266  1
  Ni  Ni278  1  0.448761  0.950225  0.689481  1
  Ni  Ni279  1  0.600058  0.255498  0.708799  1
  Ni  Ni280  1  0.505231  0.577911  0.701313  1
  Ni  Ni281  1  0.653706  0.901995  0.724295  1
  Ni  Ni282  1  0.359665  0.274836  0.680383  1
  Ni  Ni283  1  0.223695  0.510113  0.686564  1
  Ni  Ni284  1  0.370818  0.827499  0.713431  1
  Ni  Ni285  1  0.077410  0.208976  0.662783  1
  Ni  Ni286  1  0.583688  0.748183  0.712309  1
  Ni  Ni287  1  0.288314  0.129620  0.670323  1
  Ni  Ni288  1  0.434605  0.429440  0.691718  1
