# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94633673
_cell_length_b   17.66578753
_cell_length_c   50.47294481
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.56753344
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al240 Ni80'
_cell_volume   9651.32402575
_cell_formula_units_Z   80
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  0.321206  0.431500  0.270095  1
  Al  Al2  1  0.982596  0.371288  0.320259  1
  Al  Al3  1  0.821206  0.931500  0.270095  1
  Al  Al4  1  0.482596  0.871288  0.320259  1
  Al  Al5  1  0.643644  0.500099  0.313604  1
  Al  Al6  1  0.038945  0.512963  0.269925  1
  Al  Al7  1  0.143644  1.000099  0.313604  1
  Al  Al8  1  0.538945  0.012963  0.269925  1
  Al  Al9  1  0.599247  0.272628  0.289991  1
  Al  Al10  1  0.204213  0.231980  0.336106  1
  Al  Al11  1  0.099247  0.772628  0.289991  1
  Al  Al12  1  0.704213  0.731980  0.336106  1
  Al  Al13  1  0.415635  0.602102  0.274794  1
  Al  Al14  1  0.166005  0.502262  0.313093  1
  Al  Al15  1  0.915635  0.102102  0.274794  1
  Al  Al16  1  0.666005  1.002262  0.313093  1
  Al  Al17  1  0.507826  0.461175  0.358334  1
  Al  Al18  1  0.884902  0.510684  0.312885  1
  Al  Al19  1  0.007826  0.961175  0.358334  1
  Al  Al20  1  0.384902  0.010684  0.312885  1
  Al  Al21  1  0.463283  0.732108  0.335709  1
  Al  Al22  1  0.860133  0.787681  0.284853  1
  Al  Al23  1  0.963283  0.232108  0.335709  1
  Al  Al24  1  0.360133  0.287681  0.284853  1
  Al  Al25  1  0.444348  0.231067  0.333109  1
  Al  Al26  1  0.842335  0.261000  0.286952  1
  Al  Al27  1  0.944348  0.731067  0.333109  1
  Al  Al28  1  0.342335  0.761000  0.286952  1
  Al  Al29  1  0.407982  0.500701  0.312771  1
  Al  Al30  1  0.022539  0.472342  0.357992  1
  Al  Al31  1  0.907982  1.000701  0.312771  1
  Al  Al32  1  0.522539  0.972342  0.357992  1
  Al  Al33  1  0.590461  0.744611  0.284376  1
  Al  Al34  1  0.216649  0.733639  0.335225  1
  Al  Al35  1  0.090461  0.244611  0.284376  1
  Al  Al36  1  0.716649  0.233639  0.335225  1
  Al  Al37  1  0.651867  0.414146  0.274091  1
  Al  Al38  1  0.248703  0.368566  0.318835  1
  Al  Al39  1  0.151867  0.914146  0.274091  1
  Al  Al40  1  0.748703  0.868566  0.318835  1
  Al  Al41  1  0.676412  0.591951  0.356912  1
  Al  Al42  1  0.068467  0.625889  0.310036  1
  Al  Al43  1  0.176412  0.091951  0.356912  1
  Al  Al44  1  0.568467  0.125889  0.310036  1
  Al  Al45  1  0.415080  0.591622  0.356892  1
  Al  Al46  1  0.762068  0.632012  0.294225  1
  Al  Al47  1  0.915080  0.091622  0.356892  1
  Al  Al48  1  0.262068  0.132012  0.294225  1
  Al  Al49  1  0.604980  0.337018  0.359591  1
  Al  Al50  1  0.224434  0.303243  0.405408  1
  Al  Al51  1  0.104980  0.837018  0.359591  1
  Al  Al52  1  0.724434  0.803243  0.405408  1
  Al  Al53  1  0.872176  0.425830  0.406223  1
  Al  Al54  1  0.259473  0.460489  0.360139  1
  Al  Al55  1  0.372176  0.925830  0.406223  1
  Al  Al56  1  0.759473  0.960489  0.360139  1
  Al  Al57  1  0.816779  0.198475  0.383934  1
  Al  Al58  1  0.429303  0.162843  0.428985  1
  Al  Al59  1  0.316779  0.698475  0.383934  1
  Al  Al60  1  0.929303  0.662843  0.428985  1
  Al  Al61  1  0.776714  0.469547  0.358766  1
  Al  Al62  1  0.389451  0.432271  0.404234  1
  Al  Al63  1  0.276714  0.969547  0.358766  1
  Al  Al64  1  0.889451  0.932271  0.404234  1
  Al  Al65  1  0.730215  0.389640  0.450142  1
  Al  Al66  1  0.117687  0.425273  0.404305  1
  Al  Al67  1  0.230215  0.889640  0.450142  1
  Al  Al68  1  0.617687  0.925273  0.404305  1
  Al  Al69  1  0.690863  0.659977  0.425196  1
  Al  Al70  1  0.077854  0.696809  0.379703  1
  Al  Al71  1  0.190863  0.159977  0.425196  1
  Al  Al72  1  0.577854  0.196809  0.379703  1
  Al  Al73  1  0.675926  0.164015  0.428053  1
  Al  Al74  1  0.066647  0.200391  0.382230  1
  Al  Al75  1  0.175926  0.664015  0.428053  1
  Al  Al76  1  0.566647  0.700391  0.382230  1
  Al  Al77  1  0.635797  0.432780  0.402715  1
  Al  Al78  1  0.247133  0.396634  0.448550  1
  Al  Al79  1  0.135797  0.932780  0.402715  1
  Al  Al80  1  0.747133  0.896634  0.448550  1
  Al  Al81  1  0.832548  0.695312  0.380133  1
  Al  Al82  1  0.443667  0.657598  0.426869  1
  Al  Al83  1  0.332548  0.195312  0.380133  1
  Al  Al84  1  0.943667  0.157598  0.426869  1
  Al  Al85  1  0.863925  0.336462  0.365331  1
  Al  Al86  1  0.481222  0.300122  0.409225  1
  Al  Al87  1  0.363925  0.836462  0.365331  1
  Al  Al88  1  0.981222  0.800122  0.409225  1
  Al  Al89  1  0.896006  0.519258  0.448563  1
  Al  Al90  1  0.282515  0.554576  0.403530  1
  Al  Al91  1  0.396006  0.019258  0.448563  1
  Al  Al92  1  0.782515  0.054576  0.403530  1
  Al  Al93  1  0.637427  0.521882  0.444648  1
  Al  Al94  1  0.026200  0.558866  0.399731  1
  Al  Al95  1  0.137427  0.021882  0.444648  1
  Al  Al96  1  0.526200  0.058866  0.399731  1
  Al  Al97  1  0.835235  0.266190  0.452106  1
  Al  Al98  1  0.446337  0.229705  0.497630  1
  Al  Al99  1  0.335235  0.766190  0.452106  1
  Al  Al100  1  0.946337  0.729705  0.497630  1
  Al  Al101  1  0.095922  0.351741  0.496784  1
  Al  Al102  1  0.484048  0.388506  0.451155  1
  Al  Al103  1  0.595922  0.851741  0.496784  1
  Al  Al104  1  0.984048  0.888506  0.451155  1
  Al  Al105  1  0.041590  0.126316  0.474691  1
  Al  Al106  1  0.653062  0.089977  0.520275  1
  Al  Al107  1  0.541590  0.626316  0.474691  1
  Al  Al108  1  0.153062  0.589977  0.520275  1
  Al  Al109  1  1.000223  0.395719  0.450297  1
  Al  Al110  1  0.611740  0.359389  0.495858  1
  Al  Al111  1  0.500223  0.895719  0.450297  1
  Al  Al112  1  0.111740  0.859389  0.495858  1
  Al  Al113  1  0.954468  0.316781  0.541066  1
  Al  Al114  1  0.342950  0.353111  0.495505  1
  Al  Al115  1  0.454468  0.816781  0.541066  1
  Al  Al116  1  0.842950  0.853111  0.495505  1
  Al  Al117  1  0.913101  0.586184  0.516672  1
  Al  Al118  1  0.301628  0.622522  0.471088  1
  Al  Al119  1  0.413101  0.086184  0.516672  1
  Al  Al120  1  0.801628  0.122522  0.471088  1
  Al  Al121  1  0.900125  0.090557  0.518877  1
  Al  Al122  1  0.287868  0.127218  0.473315  1
  Al  Al123  1  0.400125  0.590557  0.518877  1
  Al  Al124  1  0.787868  0.627218  0.473315  1
  Al  Al125  1  0.858768  0.360758  0.494579  1
  Al  Al126  1  0.470642  0.323993  0.540208  1
  Al  Al127  1  0.358768  0.860758  0.494579  1
  Al  Al128  1  0.970642  0.823993  0.540208  1
  Al  Al129  1  0.054565  0.621942  0.472486  1
  Al  Al130  1  0.666823  0.585282  0.518048  1
  Al  Al131  1  0.554565  0.121942  0.472486  1
  Al  Al132  1  0.166823  0.085282  0.518048  1
  Al  Al133  1  0.093970  0.263849  0.454755  1
  Al  Al134  1  0.705020  0.227658  0.500690  1
  Al  Al135  1  0.593970  0.763849  0.454755  1
  Al  Al136  1  0.205020  0.727658  0.500690  1
  Al  Al137  1  0.119456  0.446309  0.539257  1
  Al  Al138  1  0.508354  0.482794  0.493732  1
  Al  Al139  1  0.619456  0.946309  0.539257  1
  Al  Al140  1  0.008354  0.982794  0.493732  1
  Al  Al141  1  0.860721  0.448651  0.536608  1
  Al  Al142  1  0.249670  0.484842  0.490673  1
  Al  Al143  1  0.360721  0.948651  0.536608  1
  Al  Al144  1  0.749670  0.984842  0.490673  1
  Al  Al145  1  0.058684  0.193242  0.542799  1
  Al  Al146  1  0.672175  0.157923  0.587833  1
  Al  Al147  1  0.558684  0.693242  0.542799  1
  Al  Al148  1  0.172175  0.657923  0.587833  1
  Al  Al149  1  0.318894  0.279719  0.588648  1
  Al  Al150  1  0.707557  0.315865  0.542813  1
  Al  Al151  1  0.818894  0.779719  0.588648  1
  Al  Al152  1  0.207557  0.815865  0.542813  1
  Al  Al153  1  0.263828  0.052522  0.566167  1
  Al  Al154  1  0.876837  0.015690  0.611660  1
  Al  Al155  1  0.763828  0.552522  0.566167  1
  Al  Al156  1  0.376837  0.515690  0.611660  1
  Al  Al157  1  0.224476  0.322859  0.541220  1
  Al  Al158  1  0.837003  0.287226  0.587058  1
  Al  Al159  1  0.724476  0.822859  0.541220  1
  Al  Al160  1  0.337003  0.787226  0.587058  1
  Al  Al161  1  0.177976  0.242952  0.632596  1
  Al  Al162  1  0.565240  0.280229  0.587129  1
  Al  Al163  1  0.677976  0.742952  0.632596  1
  Al  Al164  1  0.065240  0.780229  0.587129  1
  Al  Al165  1  0.137912  0.514025  0.607429  1
  Al  Al166  1  0.525388  0.549656  0.562378  1
  Al  Al167  1  0.637912  0.014025  0.607429  1
  Al  Al168  1  0.025388  0.049656  0.562378  1
  Al  Al169  1  0.122143  0.017188  0.611230  1
  Al  Al170  1  0.511024  0.054902  0.564494  1
  Al  Al171  1  0.622143  0.517188  0.611230  1
  Al  Al172  1  0.011024  0.554902  0.564494  1
  Al  Al173  1  0.082514  0.286670  0.585139  1
  Al  Al174  1  0.695217  0.252011  0.631224  1
  Al  Al175  1  0.582514  0.786670  0.585139  1
  Al  Al176  1  0.195217  0.752011  0.631224  1
  Al  Al177  1  0.278765  0.548484  0.563310  1
  Al  Al178  1  0.888044  0.512108  0.609133  1
  Al  Al179  1  0.778765  0.048484  0.563310  1
  Al  Al180  1  0.388044  0.012108  0.609133  1
  Al  Al181  1  0.317264  0.190618  0.546715  1
  Al  Al182  1  0.928491  0.153634  0.591632  1
  Al  Al183  1  0.817264  0.690618  0.546715  1
  Al  Al184  1  0.428491  0.653634  0.591632  1
  Al  Al185  1  0.349711  0.375481  0.631772  1
  Al  Al186  1  0.730257  0.409256  0.585955  1
  Al  Al187  1  0.849711  0.875481  0.631772  1
  Al  Al188  1  0.230257  0.909256  0.585955  1
  Al  Al189  1  0.090766  0.376038  0.626032  1
  Al  Al190  1  0.473468  0.412377  0.582138  1
  Al  Al191  1  0.590766  0.876038  0.626032  1
  Al  Al192  1  0.973468  0.912377  0.582138  1
  Al  Al193  1  0.278278  0.120548  0.634451  1
  Al  Al194  1  0.886224  0.086610  0.681327  1
  Al  Al195  1  0.778278  0.620548  0.634451  1
  Al  Al196  1  0.386224  0.586610  0.681327  1
  Al  Al197  1  0.546709  0.211798  0.678591  1
  Al  Al198  1  0.932152  0.240158  0.633371  1
  Al  Al199  1  0.046709  0.711798  0.678591  1
  Al  Al200  1  0.432152  0.740158  0.633371  1
  Al  Al201  1  0.491408  0.980391  0.655654  1
  Al  Al202  1  0.094558  0.924818  0.706509  1
  Al  Al203  1  0.991408  0.480391  0.655654  1
  Al  Al204  1  0.594558  0.424818  0.706509  1
  Al  Al205  1  0.446864  0.251325  0.633029  1
  Al  Al206  1  0.069788  0.201816  0.678478  1
  Al  Al207  1  0.946864  0.751325  0.633029  1
  Al  Al208  1  0.569788  0.701816  0.678478  1
  Al  Al209  1  0.539056  0.110397  0.716569  1
  Al  Al210  1  0.788686  0.210238  0.678270  1
  Al  Al211  1  0.039056  0.610397  0.716569  1
  Al  Al212  1  0.288686  0.710238  0.678270  1
  Al  Al213  1  0.355443  0.439872  0.701372  1
  Al  Al214  1  0.750478  0.480519  0.655257  1
  Al  Al215  1  0.855443  0.939872  0.701372  1
  Al  Al216  1  0.250478  0.980519  0.655257  1
  Al  Al217  1  0.364229  0.967888  0.706987  1
  Al  Al218  1  0.738041  0.978861  0.656138  1
  Al  Al219  1  0.864229  0.467888  0.706987  1
  Al  Al220  1  0.238041  0.478861  0.656138  1
  Al  Al221  1  0.311047  0.212401  0.677759  1
  Al  Al222  1  0.915745  0.199537  0.721438  1
  Al  Al223  1  0.811047  0.712401  0.677759  1
  Al  Al224  1  0.415745  0.699537  0.721438  1
  Al  Al225  1  0.510343  0.481433  0.658254  1
  Al  Al226  1  0.112355  0.451499  0.704410  1
  Al  Al227  1  0.010343  0.981433  0.658254  1
  Al  Al228  1  0.612355  0.951499  0.704410  1
  Al  Al229  1  0.539611  0.120877  0.634471  1
  Al  Al230  1  0.192623  0.080487  0.697138  1
  Al  Al231  1  0.039611  0.620877  0.634471  1
  Al  Al232  1  0.692623  0.580487  0.697138  1
  Al  Al233  1  0.633484  0.280999  0.721268  1
  Al  Al234  1  0.972095  0.341211  0.671104  1
  Al  Al235  1  0.133484  0.780999  0.721268  1
  Al  Al236  1  0.472095  0.841211  0.671104  1
  Al  Al237  1  0.302824  0.298354  0.717271  1
  Al  Al238  1  0.705988  0.343933  0.672528  1
  Al  Al239  1  0.802824  0.798354  0.717271  1
  Al  Al240  1  0.205988  0.843933  0.672528  1
  Ni  Ni241  1  0.499955  0.372736  0.317182  1
  Ni  Ni242  1  0.877917  0.404445  0.279769  1
  Ni  Ni243  1  0.999955  0.872736  0.317182  1
  Ni  Ni244  1  0.377917  0.904445  0.279769  1
  Ni  Ni245  1  0.743427  0.374149  0.318443  1
  Ni  Ni246  1  0.102641  0.388885  0.280227  1
  Ni  Ni247  1  0.243427  0.874149  0.318443  1
  Ni  Ni248  1  0.602641  0.888885  0.280227  1
  Ni  Ni249  1  0.549819  0.624955  0.315028  1
  Ni  Ni250  1  0.174998  0.594234  0.355321  1
  Ni  Ni251  1  0.049819  0.124955  0.315028  1
  Ni  Ni252  1  0.674998  0.094234  0.355321  1
  Ni  Ni253  1  0.310356  0.627383  0.315019  1
  Ni  Ni254  1  0.929884  0.595478  0.354928  1
  Ni  Ni255  1  0.810356  0.127383  0.315019  1
  Ni  Ni256  1  0.429884  0.095478  0.354928  1
  Ni  Ni257  1  0.721264  0.300730  0.409209  1
  Ni  Ni258  1  0.109050  0.336340  0.362810  1
  Ni  Ni259  1  0.221264  0.800730  0.409209  1
  Ni  Ni260  1  0.609050  0.836340  0.362810  1
  Ni  Ni261  1  0.969570  0.300476  0.408693  1
  Ni  Ni262  1  0.357903  0.334958  0.361433  1
  Ni  Ni263  1  0.469570  0.800476  0.408693  1
  Ni  Ni264  1  0.857903  0.834958  0.361433  1
  Ni  Ni265  1  0.786663  0.557931  0.400231  1
  Ni  Ni266  1  0.398170  0.520638  0.445761  1
  Ni  Ni267  1  0.286663  0.057931  0.400231  1
  Ni  Ni268  1  0.898170  0.020638  0.445761  1
  Ni  Ni269  1  0.539815  0.557485  0.400200  1
  Ni  Ni270  1  0.148881  0.520706  0.446374  1
  Ni  Ni271  1  0.039815  0.057485  0.400200  1
  Ni  Ni272  1  0.648881  0.020706  0.446374  1
  Ni  Ni273  1  0.944810  0.227801  0.500011  1
  Ni  Ni274  1  0.333515  0.264275  0.454451  1
  Ni  Ni275  1  0.444810  0.727801  0.500011  1
  Ni  Ni276  1  0.833515  0.764275  0.454451  1
  Ni  Ni277  1  0.193459  0.227946  0.499526  1
  Ni  Ni278  1  0.580591  0.264533  0.454103  1
  Ni  Ni279  1  0.693459  0.727946  0.499526  1
  Ni  Ni280  1  0.080591  0.764533  0.454103  1
  Ni  Ni281  1  0.009881  0.484698  0.491352  1
  Ni  Ni282  1  0.621175  0.448225  0.536912  1
  Ni  Ni283  1  0.509881  0.984698  0.491352  1
  Ni  Ni284  1  0.121175  0.948225  0.536912  1
  Ni  Ni285  1  0.761232  0.484554  0.491836  1
  Ni  Ni286  1  0.374099  0.447967  0.537259  1
  Ni  Ni287  1  0.261232  0.984554  0.491836  1
  Ni  Ni288  1  0.874099  0.947967  0.537259  1
  Ni  Ni289  1  0.168028  0.154568  0.591132  1
  Ni  Ni290  1  0.556520  0.191861  0.545602  1
  Ni  Ni291  1  0.668028  0.654568  0.591132  1
  Ni  Ni292  1  0.056520  0.691861  0.545602  1
  Ni  Ni293  1  0.414875  0.155015  0.591163  1
  Ni  Ni294  1  0.805810  0.191793  0.544989  1
  Ni  Ni295  1  0.914875  0.655015  0.591163  1
  Ni  Ni296  1  0.305810  0.691793  0.544989  1
  Ni  Ni297  1  0.233427  0.411770  0.582154  1
  Ni  Ni298  1  0.845640  0.376159  0.628553  1
  Ni  Ni299  1  0.733427  0.911770  0.582154  1
  Ni  Ni300  1  0.345640  0.876159  0.628553  1
  Ni  Ni301  1  0.985120  0.412024  0.582670  1
  Ni  Ni302  1  0.596788  0.377542  0.629929  1
  Ni  Ni303  1  0.485120  0.912024  0.582670  1
  Ni  Ni304  1  0.096788  0.877542  0.629929  1
  Ni  Ni305  1  0.404872  0.087544  0.676335  1
  Ni  Ni306  1  0.779693  0.118265  0.636042  1
  Ni  Ni307  1  0.904872  0.587544  0.676335  1
  Ni  Ni308  1  0.279693  0.618265  0.636042  1
  Ni  Ni309  1  0.644334  0.085117  0.676344  1
  Ni  Ni310  1  0.024807  0.117021  0.636435  1
  Ni  Ni311  1  0.144334  0.585117  0.676344  1
  Ni  Ni312  1  0.524807  0.617021  0.636435  1
  Ni  Ni313  1  0.454735  0.339763  0.674180  1
  Ni  Ni314  1  0.076774  0.308055  0.711594  1
  Ni  Ni315  1  0.954735  0.839763  0.674180  1
  Ni  Ni316  1  0.576774  0.808055  0.711594  1
  Ni  Ni317  1  0.211264  0.338350  0.672920  1
  Ni  Ni318  1  0.852050  0.323615  0.711136  1
  Ni  Ni319  1  0.711264  0.838350  0.672920  1
  Ni  Ni320  1  0.352050  0.823615  0.711136  1
