# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18447206
_cell_length_b   23.56540066
_cell_length_c   53.08523946
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7736.619542
_cell_formula_units_Z   60
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  0.018523  0.941584  0.312515  1
  Al  Al2  1  0.026024  0.259976  0.344192  1
  Al  Al3  1  0.007691  0.624204  0.284575  1
  Al  Al4  1  0.211805  0.026134  0.271942  1
  Al  Al5  1  0.199667  0.348486  0.299590  1
  Al  Al6  1  0.178221  0.669530  0.331404  1
  Al  Al7  1  0.186464  0.854627  0.349656  1
  Al  Al8  1  0.198789  0.221611  0.288168  1
  Al  Al9  1  0.178874  0.537339  0.319650  1
  Al  Al10  1  0.329369  0.037339  0.319650  1
  Al  Al11  1  0.321780  0.354627  0.349656  1
  Al  Al12  1  0.309454  0.721611  0.288168  1
  Al  Al13  1  0.690756  0.996267  0.340992  1
  Al  Al14  1  0.635811  0.348367  0.281454  1
  Al  Al15  1  0.675090  0.678668  0.311335  1
  Al  Al16  1  0.833154  0.178668  0.311335  1
  Al  Al17  1  0.817488  0.496267  0.340992  1
  Al  Al18  1  0.872433  0.848367  0.281454  1
  Al  Al19  1  0.679001  0.865423  0.329060  1
  Al  Al20  1  0.690330  0.183634  0.359654  1
  Al  Al21  1  0.679412  0.547864  0.297647  1
  Al  Al22  1  0.828832  0.047864  0.297647  1
  Al  Al23  1  0.829243  0.365423  0.329060  1
  Al  Al24  1  0.817914  0.683634  0.359654  1
  Al  Al25  1  0.330023  0.169530  0.331404  1
  Al  Al26  1  0.296438  0.526134  0.271942  1
  Al  Al27  1  0.308577  0.848486  0.299590  1
  Al  Al28  1  0.573452  0.948642  0.290435  1
  Al  Al29  1  0.533287  0.273355  0.321791  1
  Al  Al30  1  0.512513  0.592273  0.346649  1
  Al  Al31  1  0.995730  0.092273  0.346649  1
  Al  Al32  1  0.934792  0.448642  0.290435  1
  Al  Al33  1  0.974957  0.773355  0.321791  1
  Al  Al34  1  0.500552  0.124204  0.284575  1
  Al  Al35  1  0.489721  0.441584  0.312515  1
  Al  Al36  1  0.482220  0.759976  0.344192  1
  Al  Al37  1  0.017815  0.898008  0.404630  1
  Al  Al38  1  0.016675  0.217204  0.435382  1
  Al  Al39  1  0.018334  0.578789  0.374015  1
  Al  Al40  1  0.180858  0.987507  0.361735  1
  Al  Al41  1  0.183163  0.306985  0.392904  1
  Al  Al42  1  0.186190  0.625307  0.422773  1
  Al  Al43  1  0.184905  0.812315  0.440734  1
  Al  Al44  1  0.182800  0.172940  0.379677  1
  Al  Al45  1  0.184787  0.492983  0.409912  1
  Al  Al46  1  0.323457  0.992983  0.409912  1
  Al  Al47  1  0.323339  0.312315  0.440734  1
  Al  Al48  1  0.325444  0.672940  0.379677  1
  Al  Al49  1  0.685465  0.954175  0.433158  1
  Al  Al50  1  0.688300  0.315989  0.372124  1
  Al  Al51  1  0.685260  0.634782  0.402824  1
  Al  Al52  1  0.822983  0.134782  0.402824  1
  Al  Al53  1  0.822779  0.454175  0.433158  1
  Al  Al54  1  0.819944  0.815989  0.372124  1
  Al  Al55  1  0.686161  0.821627  0.420597  1
  Al  Al56  1  0.684237  0.140337  0.450968  1
  Al  Al57  1  0.687932  0.502230  0.389763  1
  Al  Al58  1  0.820312  1.002230  0.389763  1
  Al  Al59  1  0.822083  0.321627  0.420597  1
  Al  Al60  1  0.824007  0.640337  0.450968  1
  Al  Al61  1  0.322054  0.125307  0.422773  1
  Al  Al62  1  0.327386  0.487507  0.361735  1
  Al  Al63  1  0.325081  0.806985  0.392904  1
  Al  Al64  1  0.517379  0.911032  0.377491  1
  Al  Al65  1  0.519903  0.229487  0.408618  1
  Al  Al66  1  0.518054  0.548788  0.438342  1
  Al  Al67  1  0.990190  0.048788  0.438342  1
  Al  Al68  1  0.990865  0.411032  0.377491  1
  Al  Al69  1  0.988341  0.729487  0.408618  1
  Al  Al70  1  0.489910  0.078789  0.374015  1
  Al  Al71  1  0.490429  0.398008  0.404630  1
  Al  Al72  1  0.491569  0.717204  0.435382  1
  Al  Al73  1  0.016891  0.855437  0.496173  1
  Al  Al74  1  0.017553  0.174230  0.526573  1
  Al  Al75  1  0.017689  0.536228  0.465688  1
  Al  Al76  1  0.184686  0.944881  0.453150  1
  Al  Al77  1  0.184564  0.263732  0.483691  1
  Al  Al78  1  0.185440  0.582755  0.514064  1
  Al  Al79  1  0.184116  0.769307  0.531798  1
  Al  Al80  1  0.183733  0.131009  0.470948  1
  Al  Al81  1  0.185303  0.450325  0.501376  1
  Al  Al82  1  0.322941  0.950325  0.501376  1
  Al  Al83  1  0.324128  0.269307  0.531798  1
  Al  Al84  1  0.324511  0.631009  0.470948  1
  Al  Al85  1  0.683733  0.911390  0.524547  1
  Al  Al86  1  0.684116  0.273092  0.463697  1
  Al  Al87  1  0.685303  0.592075  0.494119  1
  Al  Al88  1  0.822941  0.092075  0.494119  1
  Al  Al89  1  0.824511  0.411390  0.524547  1
  Al  Al90  1  0.824128  0.773092  0.463697  1
  Al  Al91  1  0.684564  0.778667  0.511804  1
  Al  Al92  1  0.684686  0.097519  0.542345  1
  Al  Al93  1  0.685440  0.459644  0.481431  1
  Al  Al94  1  0.822804  0.959644  0.481431  1
  Al  Al95  1  0.823680  0.278667  0.511804  1
  Al  Al96  1  0.823558  0.597519  0.542345  1
  Al  Al97  1  0.322804  0.082755  0.514064  1
  Al  Al98  1  0.323558  0.444881  0.453150  1
  Al  Al99  1  0.323680  0.763732  0.483691  1
  Al  Al100  1  0.517553  0.868169  0.468922  1
  Al  Al101  1  0.516891  0.186962  0.499322  1
  Al  Al102  1  0.517689  0.506172  0.529807  1
  Al  Al103  1  0.990554  0.006172  0.529807  1
  Al  Al104  1  0.990690  0.368169  0.468922  1
  Al  Al105  1  0.991352  0.686962  0.499322  1
  Al  Al106  1  0.490554  0.036228  0.465688  1
  Al  Al107  1  0.491352  0.355437  0.496173  1
  Al  Al108  1  0.490690  0.674230  0.526573  1
  Al  Al109  1  0.019903  0.812913  0.586877  1
  Al  Al110  1  0.017379  0.131368  0.618004  1
  Al  Al111  1  0.018054  0.493611  0.557153  1
  Al  Al112  1  0.184237  0.902062  0.544527  1
  Al  Al113  1  0.186161  0.220772  0.574898  1
  Al  Al114  1  0.187932  0.540169  0.605732  1
  Al  Al115  1  0.188300  0.726411  0.623371  1
  Al  Al116  1  0.185465  0.088225  0.562337  1
  Al  Al117  1  0.185260  0.407617  0.592671  1
  Al  Al118  1  0.322983  0.907617  0.592671  1
  Al  Al119  1  0.319944  0.226411  0.623371  1
  Al  Al120  1  0.322779  0.588225  0.562337  1
  Al  Al121  1  0.682800  0.869459  0.615818  1
  Al  Al122  1  0.684905  0.230084  0.554761  1
  Al  Al123  1  0.684787  0.549417  0.585583  1
  Al  Al124  1  0.823457  0.049417  0.585583  1
  Al  Al125  1  0.825444  0.369459  0.615818  1
  Al  Al126  1  0.823339  0.730084  0.554761  1
  Al  Al127  1  0.683163  0.735415  0.602591  1
  Al  Al128  1  0.680858  0.054893  0.633760  1
  Al  Al129  1  0.686190  0.417093  0.572722  1
  Al  Al130  1  0.822054  0.917093  0.572722  1
  Al  Al131  1  0.825081  0.235415  0.602591  1
  Al  Al132  1  0.827386  0.554893  0.633760  1
  Al  Al133  1  0.320312  0.040169  0.605732  1
  Al  Al134  1  0.324007  0.402062  0.544527  1
  Al  Al135  1  0.322083  0.720772  0.574898  1
  Al  Al136  1  0.516675  0.825196  0.560113  1
  Al  Al137  1  0.517815  0.144391  0.590865  1
  Al  Al138  1  0.518334  0.463611  0.621480  1
  Al  Al139  1  0.989910  0.963611  0.621480  1
  Al  Al140  1  0.991569  0.325196  0.560113  1
  Al  Al141  1  0.990429  0.644391  0.590865  1
  Al  Al142  1  0.490190  0.993611  0.557153  1
  Al  Al143  1  0.488341  0.312913  0.586877  1
  Al  Al144  1  0.490865  0.631368  0.618004  1
  Al  Al145  1  0.033287  0.769045  0.673704  1
  Al  Al146  1  0.073452  0.093757  0.705060  1
  Al  Al147  1  0.012513  0.450126  0.648846  1
  Al  Al148  1  0.190330  0.858765  0.635841  1
  Al  Al149  1  0.179001  0.176977  0.666435  1
  Al  Al150  1  0.179412  0.494535  0.697848  1
  Al  Al151  1  0.135811  0.694033  0.714041  1
  Al  Al152  1  0.190756  0.046133  0.654503  1
  Al  Al153  1  0.175090  0.363732  0.684160  1
  Al  Al154  1  0.333154  0.863732  0.684160  1
  Al  Al155  1  0.372433  0.194033  0.714041  1
  Al  Al156  1  0.317488  0.546133  0.654503  1
  Al  Al157  1  0.698789  0.820788  0.707327  1
  Al  Al158  1  0.686464  0.187772  0.645839  1
  Al  Al159  1  0.678874  0.505060  0.675845  1
  Al  Al160  1  0.829369  1.005060  0.675845  1
  Al  Al161  1  0.809454  0.320788  0.707327  1
  Al  Al162  1  0.821780  0.687772  0.645839  1
  Al  Al163  1  0.699667  0.693913  0.695906  1
  Al  Al164  1  0.711805  0.016266  0.723553  1
  Al  Al165  1  0.678221  0.372870  0.664091  1
  Al  Al166  1  0.830023  0.872870  0.664091  1
  Al  Al167  1  0.808577  0.193913  0.695906  1
  Al  Al168  1  0.796438  0.516266  0.723553  1
  Al  Al169  1  0.328832  0.994535  0.697848  1
  Al  Al170  1  0.317914  0.358765  0.635841  1
  Al  Al171  1  0.329243  0.676977  0.666435  1
  Al  Al172  1  0.526024  0.782423  0.651303  1
  Al  Al173  1  0.518523  0.100816  0.682980  1
  Al  Al174  1  0.507691  0.418196  0.710920  1
  Al  Al175  1  1.000552  0.918196  0.710920  1
  Al  Al176  1  0.982220  0.282423  0.651303  1
  Al  Al177  1  0.989721  0.600816  0.682980  1
  Al  Al178  1  0.495730  0.950126  0.648846  1
  Al  Al179  1  0.474957  0.269045  0.673704  1
  Al  Al180  1  0.434792  0.593757  0.705060  1
  Ni  Ni181  1  0.889816  0.918384  0.360418  1
  Ni  Ni182  1  0.894135  0.281553  0.301249  1
  Ni  Ni183  1  0.882111  0.600360  0.330567  1
  Ni  Ni184  1  0.382371  0.932826  0.330812  1
  Ni  Ni185  1  0.594501  0.230001  0.280300  1
  Ni  Ni186  1  0.381495  0.615886  0.299380  1
  Ni  Ni187  1  0.126748  0.115886  0.299380  1
  Ni  Ni188  1  0.125872  0.432826  0.330812  1
  Ni  Ni189  1  0.913743  0.730001  0.280300  1
  Ni  Ni190  1  0.626133  0.100360  0.330567  1
  Ni  Ni191  1  0.618428  0.418384  0.360418  1
  Ni  Ni192  1  0.614109  0.781553  0.301249  1
  Ni  Ni193  1  0.889112  0.876110  0.452046  1
  Ni  Ni194  1  0.890804  0.237846  0.391243  1
  Ni  Ni195  1  0.889691  0.556793  0.421467  1
  Ni  Ni196  1  0.389590  0.890478  0.421794  1
  Ni  Ni197  1  0.388923  0.251096  0.363016  1
  Ni  Ni198  1  0.390731  0.570723  0.391146  1
  Ni  Ni199  1  0.117513  0.070723  0.391146  1
  Ni  Ni200  1  0.118654  0.390478  0.421794  1
  Ni  Ni201  1  0.119321  0.751096  0.363016  1
  Ni  Ni202  1  0.618553  0.056793  0.421467  1
  Ni  Ni203  1  0.619131  0.376110  0.452046  1
  Ni  Ni204  1  0.617440  0.737846  0.391243  1
  Ni  Ni205  1  0.888081  0.833292  0.543216  1
  Ni  Ni206  1  0.888543  0.194930  0.482472  1
  Ni  Ni207  1  0.889617  0.514064  0.512961  1
  Ni  Ni208  1  0.388543  0.847470  0.513024  1
  Ni  Ni209  1  0.388081  0.209108  0.452279  1
  Ni  Ni210  1  0.389617  0.528336  0.482534  1
  Ni  Ni211  1  0.118627  0.028336  0.482534  1
  Ni  Ni212  1  0.119701  0.347470  0.513024  1
  Ni  Ni213  1  0.120163  0.709108  0.452279  1
  Ni  Ni214  1  0.618627  0.014064  0.512961  1
  Ni  Ni215  1  0.620163  0.333292  0.543216  1
  Ni  Ni216  1  0.619701  0.694930  0.482472  1
  Ni  Ni217  1  0.888923  0.791304  0.632479  1
  Ni  Ni218  1  0.889590  0.151922  0.573701  1
  Ni  Ni219  1  0.890731  0.471677  0.604349  1
  Ni  Ni220  1  0.390804  0.804553  0.604252  1
  Ni  Ni221  1  0.389112  0.166289  0.543449  1
  Ni  Ni222  1  0.389691  0.485607  0.574028  1
  Ni  Ni223  1  0.118553  0.985607  0.574028  1
  Ni  Ni224  1  0.117440  0.304553  0.604252  1
  Ni  Ni225  1  0.119131  0.666289  0.543449  1
  Ni  Ni226  1  0.617513  0.971677  0.604349  1
  Ni  Ni227  1  0.619321  0.291304  0.632479  1
  Ni  Ni228  1  0.618654  0.651922  0.573701  1
  Ni  Ni229  1  0.094501  0.812398  0.715195  1
  Ni  Ni230  1  0.882371  0.109573  0.664683  1
  Ni  Ni231  1  0.881495  0.426514  0.696115  1
  Ni  Ni232  1  0.394135  0.760846  0.694246  1
  Ni  Ni233  1  0.389816  0.124015  0.635077  1
  Ni  Ni234  1  0.382111  0.442040  0.664928  1
  Ni  Ni235  1  0.126133  0.942040  0.664928  1
  Ni  Ni236  1  0.114109  0.260846  0.694246  1
  Ni  Ni237  1  0.118428  0.624015  0.635077  1
  Ni  Ni238  1  0.626748  0.926514  0.696115  1
  Ni  Ni239  1  0.413743  0.312398  0.715195  1
  Ni  Ni240  1  0.625872  0.609573  0.664683  1
