# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.75677779
_cell_length_b   8.86088484
_cell_length_c   50.70319431
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.71244485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6061.02889915
_cell_formula_units_Z   48
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  0.640626  0.091405  0.319437  1
  Al  Al2  1  0.188127  0.231761  0.283552  1
  Al  Al3  1  0.739869  0.369115  0.300871  1
  Al  Al4  1  0.193637  0.222629  0.339155  1
  Al  Al5  1  0.778641  0.090750  0.271465  1
  Al  Al6  1  0.233106  0.936157  0.306181  1
  Al  Al7  1  0.852052  0.557955  0.275283  1
  Al  Al8  1  0.292642  0.420448  0.313077  1
  Al  Al9  1  0.999872  0.361748  0.303227  1
  Al  Al10  1  0.446688  0.225263  0.339140  1
  Al  Al11  1  0.047283  0.845800  0.305279  1
  Al  Al12  1  0.508446  0.705040  0.344060  1
  Al  Al13  1  0.026737  0.084967  0.269712  1
  Al  Al14  1  0.479669  0.939701  0.306279  1
  Al  Al15  1  0.091967  0.560759  0.275864  1
  Al  Al16  1  0.543541  0.427415  0.313373  1
  Al  Al17  1  0.811956  0.839928  0.304595  1
  Al  Al18  1  0.259862  0.706846  0.344947  1
  Al  Al19  1  0.897158  0.113028  0.317698  1
  Al  Al20  1  0.442711  0.237667  0.282388  1
  Al  Al21  1  0.101757  0.548151  0.335069  1
  Al  Al22  1  0.643603  0.684096  0.297294  1
  Al  Al23  1  0.845551  0.528441  0.336696  1
  Al  Al24  1  0.385518  0.667443  0.300324  1
  Al  Al25  1  0.551568  0.819246  0.395556  1
  Al  Al26  1  0.096375  0.954293  0.357137  1
  Al  Al27  1  0.649446  0.081483  0.376557  1
  Al  Al28  1  0.104599  0.944661  0.415706  1
  Al  Al29  1  0.688666  0.799668  0.346793  1
  Al  Al30  1  0.140769  0.662262  0.386262  1
  Al  Al31  1  0.749149  0.280549  0.352356  1
  Al  Al32  1  0.205616  0.142022  0.391075  1
  Al  Al33  1  0.898416  0.079551  0.377558  1
  Al  Al34  1  0.355125  0.941437  0.416266  1
  Al  Al35  1  0.963596  0.561010  0.382965  1
  Al  Al36  1  0.417923  0.422303  0.421459  1
  Al  Al37  1  0.934149  0.799132  0.347864  1
  Al  Al38  1  0.390631  0.660568  0.385990  1
  Al  Al39  1  1.000876  0.276040  0.354009  1
  Al  Al40  1  0.453513  0.139533  0.390942  1
  Al  Al41  1  0.715674  0.563185  0.382620  1
  Al  Al42  1  0.170457  0.423292  0.421488  1
  Al  Al43  1  0.803893  0.829079  0.393419  1
  Al  Al44  1  0.349614  0.969174  0.354012  1
  Al  Al45  1  0.008177  0.266576  0.411072  1
  Al  Al46  1  0.553031  0.407890  0.371405  1
  Al  Al47  1  0.754708  0.254648  0.413750  1
  Al  Al48  1  0.300216  0.395968  0.374665  1
  Al  Al49  1  0.459292  0.540021  0.473596  1
  Al  Al50  1  0.005050  0.678147  0.435120  1
  Al  Al51  1  0.559228  0.805303  0.454084  1
  Al  Al52  1  0.014008  0.665548  0.493050  1
  Al  Al53  1  0.594573  0.522886  0.423772  1
  Al  Al54  1  0.049539  0.383335  0.462917  1
  Al  Al55  1  0.659519  0.003884  0.429275  1
  Al  Al56  1  0.114420  0.863868  0.468232  1
  Al  Al57  1  0.807832  0.802764  0.454820  1
  Al  Al58  1  0.262895  0.663189  0.493745  1
  Al  Al59  1  0.872647  0.283278  0.460321  1
  Al  Al60  1  0.327294  0.143766  0.499153  1
  Al  Al61  1  0.844004  0.520894  0.424701  1
  Al  Al62  1  0.299447  0.381195  0.463459  1
  Al  Al63  1  0.908390  0.001227  0.430145  1
  Al  Al64  1  0.362835  0.861921  0.468793  1
  Al  Al65  1  0.623498  0.285401  0.459448  1
  Al  Al66  1  0.078808  0.145481  0.498522  1
  Al  Al67  1  0.712607  0.550733  0.470359  1
  Al  Al68  1  0.258856  0.690378  0.432140  1
  Al  Al69  1  0.917355  0.988060  0.488023  1
  Al  Al70  1  0.463306  0.127106  0.449200  1
  Al  Al71  1  0.663692  0.977206  0.491078  1
  Al  Al72  1  0.209761  0.115999  0.452560  1
  Al  Al73  1  0.367900  0.261412  0.551156  1
  Al  Al74  1  0.913851  0.400458  0.512333  1
  Al  Al75  1  0.468371  0.526596  0.531563  1
  Al  Al76  1  0.922816  0.387290  0.570211  1
  Al  Al77  1  0.503912  0.244752  0.501203  1
  Al  Al78  1  0.958559  0.105240  0.540036  1
  Al  Al79  1  0.568311  0.725328  0.506612  1
  Al  Al80  1  0.023374  0.585753  0.545536  1
  Al  Al81  1  0.716786  0.524649  0.532125  1
  Al  Al82  1  0.171687  0.384634  0.571081  1
  Al  Al83  1  0.781667  0.005182  0.537439  1
  Al  Al84  1  0.236633  0.865632  0.576585  1
  Al  Al85  1  0.752398  0.243037  0.501834  1
  Al  Al86  1  0.207708  0.103117  0.540909  1
  Al  Al87  1  0.817198  0.722970  0.507307  1
  Al  Al88  1  0.271978  0.583214  0.546273  1
  Al  Al89  1  0.531759  0.007323  0.536898  1
  Al  Al90  1  0.987202  0.867623  0.575656  1
  Al  Al91  1  0.621445  0.272519  0.547796  1
  Al  Al92  1  0.167514  0.411312  0.509278  1
  Al  Al93  1  0.826156  0.710370  0.565236  1
  Al  Al94  1  0.371914  0.848497  0.526760  1
  Al  Al95  1  0.572350  0.698140  0.568216  1
  Al  Al96  1  0.118599  0.837784  0.529997  1
  Al  Al97  1  0.278175  0.980628  0.628951  1
  Al  Al98  1  0.823029  0.121942  0.589285  1
  Al  Al99  1  0.377693  0.248984  0.609415  1
  Al  Al100  1  0.830330  0.112477  0.646347  1
  Al  Al101  1  0.413283  0.966215  0.578897  1
  Al  Al102  1  0.867610  0.827508  0.617392  1
  Al  Al103  1  0.476081  0.447081  0.584090  1
  Al  Al104  1  0.932790  0.308966  0.622798  1
  Al  Al105  1  0.625590  0.246496  0.609282  1
  Al  Al106  1  0.082057  0.107969  0.648001  1
  Al  Al107  1  0.690437  0.726255  0.614094  1
  Al  Al108  1  0.142540  0.588850  0.653563  1
  Al  Al109  1  0.660749  0.965225  0.578868  1
  Al  Al110  1  0.115532  0.825333  0.617736  1
  Al  Al111  1  0.726607  0.443857  0.584650  1
  Al  Al112  1  0.181760  0.307034  0.623799  1
  Al  Al113  1  0.440575  0.727950  0.614366  1
  Al  Al114  1  0.897057  0.589386  0.652492  1
  Al  Al115  1  0.530990  0.992549  0.625691  1
  Al  Al116  1  0.076498  0.133870  0.586606  1
  Al  Al117  1  0.734831  0.434225  0.643219  1
  Al  Al118  1  0.279638  0.569272  0.604801  1
  Al  Al119  1  0.481592  0.419344  0.646344  1
  Al  Al120  1  0.027313  0.559438  0.606937  1
  Al  Al121  1  0.187603  0.704422  0.703062  1
  Al  Al122  1  0.729449  0.840367  0.665287  1
  Al  Al123  1  0.287665  0.961102  0.686984  1
  Al  Al124  1  0.739239  0.827759  0.724493  1
  Al  Al125  1  0.322760  0.683478  0.656296  1
  Al  Al126  1  0.783923  0.542717  0.695077  1
  Al  Al127  1  0.384518  0.163255  0.661216  1
  Al  Al128  1  0.831334  0.026770  0.697129  1
  Al  Al129  1  0.538564  0.968070  0.687279  1
  Al  Al130  1  0.979154  0.830563  0.725073  1
  Al  Al131  1  0.598100  0.452360  0.694175  1
  Al  Al132  1  0.052565  0.297767  0.728891  1
  Al  Al133  1  0.571344  0.681672  0.655409  1
  Al  Al134  1  0.019250  0.548589  0.695761  1
  Al  Al135  1  0.637569  0.165888  0.661201  1
  Al  Al136  1  0.091337  0.019402  0.699485  1
  Al  Al137  1  0.351537  0.448816  0.694077  1
  Al  Al138  1  0.804469  0.303550  0.730644  1
  Al  Al139  1  0.445688  0.721074  0.700032  1
  Al  Al140  1  0.985655  0.860077  0.663660  1
  Al  Al141  1  0.643079  0.156757  0.716804  1
  Al  Al142  1  0.190580  0.297112  0.680919  1
  Al  Al143  1  0.388495  0.150851  0.717969  1
  Al  Al144  1  0.934048  0.275490  0.682659  1
  Ni  Ni145  1  0.076225  0.105973  0.315231  1
  Ni  Ni146  1  0.617861  0.246628  0.280021  1
  Ni  Ni147  1  0.883539  0.274368  0.276591  1
  Ni  Ni148  1  0.331623  0.130923  0.311347  1
  Ni  Ni149  1  0.665071  0.531892  0.337942  1
  Ni  Ni150  1  0.203610  0.672191  0.301662  1
  Ni  Ni151  1  0.958195  0.638620  0.307840  1
  Ni  Ni152  1  0.406918  0.509586  0.343455  1
  Ni  Ni153  1  0.982727  0.829907  0.393055  1
  Ni  Ni154  1  0.528315  0.970751  0.352394  1
  Ni  Ni155  1  0.786720  0.996155  0.346337  1
  Ni  Ni156  1  0.241391  0.858448  0.385914  1
  Ni  Ni157  1  0.575884  0.254157  0.413644  1
  Ni  Ni158  1  0.121937  0.393260  0.376358  1
  Ni  Ni159  1  0.862962  0.365063  0.382955  1
  Ni  Ni160  1  0.318593  0.226423  0.421488  1
  Ni  Ni161  1  0.891504  0.552231  0.470217  1
  Ni  Ni162  1  0.437207  0.690842  0.431541  1
  Ni  Ni163  1  0.695135  0.718140  0.424075  1
  Ni  Ni164  1  0.150451  0.578228  0.463010  1
  Ni  Ni165  1  0.485219  0.975970  0.491303  1
  Ni  Ni166  1  0.030801  0.114446  0.453033  1
  Ni  Ni167  1  0.772020  0.088133  0.460187  1
  Ni  Ni168  1  0.226946  0.948520  0.499036  1
  Ni  Ni169  1  0.800405  0.274072  0.547324  1
  Ni  Ni170  1  0.345987  0.412547  0.509054  1
  Ni  Ni171  1  0.604260  0.439997  0.501320  1
  Ni  Ni172  1  0.059186  0.300385  0.540170  1
  Ni  Ni173  1  0.393999  0.697675  0.568816  1
  Ni  Ni174  1  0.939702  0.836287  0.530140  1
  Ni  Ni175  1  0.680755  0.810289  0.537347  1
  Ni  Ni176  1  0.136071  0.670378  0.576281  1
  Ni  Ni177  1  0.709269  0.995257  0.623998  1
  Ni  Ni178  1  0.255322  0.134360  0.586713  1
  Ni  Ni179  1  0.512613  0.162094  0.578869  1
  Ni  Ni180  1  0.968244  0.023454  0.617401  1
  Ni  Ni181  1  0.302891  0.417766  0.647962  1
  Ni  Ni182  1  0.848479  0.558611  0.607301  1
  Ni  Ni183  1  0.589815  0.530069  0.614442  1
  Ni  Ni184  1  0.044486  0.392362  0.654019  1
  Ni  Ni185  1  0.627596  0.716326  0.698694  1
  Ni  Ni186  1  0.166135  0.856626  0.662415  1
  Ni  Ni187  1  0.424288  0.878931  0.656902  1
  Ni  Ni188  1  0.873011  0.749898  0.692516  1
  Ni  Ni189  1  0.213345  0.141889  0.720335  1
  Ni  Ni190  1  0.754981  0.282545  0.685125  1
  Ni  Ni191  1  0.499583  0.257594  0.689010  1
  Ni  Ni192  1  0.947667  0.114150  0.723765  1
