# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18448587
_cell_length_b   23.56524954
_cell_length_c   53.08560283
_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   7736.64015863
_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  0.018522  0.941587  0.312513  1
  Al  Al2  1  0.026023  0.259980  0.344189  1
  Al  Al3  1  0.007691  0.624207  0.284572  1
  Al  Al4  1  0.211804  0.026137  0.271940  1
  Al  Al5  1  0.199667  0.348490  0.299587  1
  Al  Al6  1  0.178221  0.669533  0.331402  1
  Al  Al7  1  0.186462  0.854631  0.349653  1
  Al  Al8  1  0.198789  0.221615  0.288166  1
  Al  Al9  1  0.178874  0.537343  0.319648  1
  Al  Al10  1  0.329368  0.037343  0.319648  1
  Al  Al11  1  0.321779  0.354631  0.349653  1
  Al  Al12  1  0.309452  0.721615  0.288166  1
  Al  Al13  1  0.690754  0.996270  0.340989  1
  Al  Al14  1  0.635809  0.348370  0.281451  1
  Al  Al15  1  0.675089  0.678671  0.311332  1
  Al  Al16  1  0.833153  0.178671  0.311332  1
  Al  Al17  1  0.817487  0.496270  0.340989  1
  Al  Al18  1  0.872433  0.848370  0.281451  1
  Al  Al19  1  0.679000  0.865427  0.329058  1
  Al  Al20  1  0.690329  0.183638  0.359651  1
  Al  Al21  1  0.679411  0.547868  0.297645  1
  Al  Al22  1  0.828831  0.047868  0.297645  1
  Al  Al23  1  0.829242  0.365427  0.329058  1
  Al  Al24  1  0.817912  0.683638  0.359651  1
  Al  Al25  1  0.330021  0.169533  0.331402  1
  Al  Al26  1  0.296438  0.526137  0.271940  1
  Al  Al27  1  0.308574  0.848490  0.299587  1
  Al  Al28  1  0.573451  0.948646  0.290432  1
  Al  Al29  1  0.533287  0.273358  0.321789  1
  Al  Al30  1  0.512513  0.592277  0.346647  1
  Al  Al31  1  0.995729  0.092277  0.346647  1
  Al  Al32  1  0.934791  0.448646  0.290432  1
  Al  Al33  1  0.974955  0.773358  0.321789  1
  Al  Al34  1  0.500551  0.124207  0.284572  1
  Al  Al35  1  0.489720  0.441587  0.312513  1
  Al  Al36  1  0.482219  0.759980  0.344189  1
  Al  Al37  1  0.017814  0.898012  0.404627  1
  Al  Al38  1  0.016674  0.217207  0.435379  1
  Al  Al39  1  0.018333  0.578792  0.374012  1
  Al  Al40  1  0.180857  0.987510  0.361732  1
  Al  Al41  1  0.183162  0.306988  0.392901  1
  Al  Al42  1  0.186189  0.625310  0.422770  1
  Al  Al43  1  0.184904  0.812319  0.440731  1
  Al  Al44  1  0.182798  0.172944  0.379674  1
  Al  Al45  1  0.184786  0.492986  0.409909  1
  Al  Al46  1  0.323456  0.992986  0.409909  1
  Al  Al47  1  0.323338  0.312319  0.440731  1
  Al  Al48  1  0.325444  0.672944  0.379674  1
  Al  Al49  1  0.685464  0.954178  0.433155  1
  Al  Al50  1  0.688299  0.315992  0.372121  1
  Al  Al51  1  0.685260  0.634785  0.402821  1
  Al  Al52  1  0.822982  0.134785  0.402821  1
  Al  Al53  1  0.822777  0.454178  0.433155  1
  Al  Al54  1  0.819942  0.815992  0.372121  1
  Al  Al55  1  0.686160  0.821631  0.420594  1
  Al  Al56  1  0.684236  0.140340  0.450965  1
  Al  Al57  1  0.687931  0.502234  0.389760  1
  Al  Al58  1  0.820310  1.002234  0.389760  1
  Al  Al59  1  0.822082  0.321631  0.420594  1
  Al  Al60  1  0.824006  0.640340  0.450965  1
  Al  Al61  1  0.322053  0.125310  0.422770  1
  Al  Al62  1  0.327384  0.487510  0.361732  1
  Al  Al63  1  0.325080  0.806988  0.392901  1
  Al  Al64  1  0.517378  0.911035  0.377488  1
  Al  Al65  1  0.519901  0.229490  0.408615  1
  Al  Al66  1  0.518053  0.548792  0.438339  1
  Al  Al67  1  0.990189  0.048792  0.438339  1
  Al  Al68  1  0.990864  0.411035  0.377488  1
  Al  Al69  1  0.988340  0.729490  0.408615  1
  Al  Al70  1  0.489908  0.078792  0.374012  1
  Al  Al71  1  0.490428  0.398012  0.404627  1
  Al  Al72  1  0.491568  0.717207  0.435379  1
  Al  Al73  1  0.016890  0.855441  0.496169  1
  Al  Al74  1  0.017552  0.174233  0.526569  1
  Al  Al75  1  0.017688  0.536231  0.465685  1
  Al  Al76  1  0.184685  0.944884  0.453147  1
  Al  Al77  1  0.184563  0.263735  0.483687  1
  Al  Al78  1  0.185439  0.582758  0.514061  1
  Al  Al79  1  0.184115  0.769311  0.531795  1
  Al  Al80  1  0.183732  0.131013  0.470945  1
  Al  Al81  1  0.185302  0.450328  0.501372  1
  Al  Al82  1  0.322940  0.950328  0.501372  1
  Al  Al83  1  0.324127  0.269311  0.531795  1
  Al  Al84  1  0.324510  0.631013  0.470945  1
  Al  Al85  1  0.683732  0.911393  0.524543  1
  Al  Al86  1  0.684115  0.273095  0.463693  1
  Al  Al87  1  0.685302  0.592078  0.494116  1
  Al  Al88  1  0.822940  0.092078  0.494116  1
  Al  Al89  1  0.824510  0.411393  0.524543  1
  Al  Al90  1  0.824127  0.773095  0.463693  1
  Al  Al91  1  0.684563  0.778671  0.511801  1
  Al  Al92  1  0.684685  0.097522  0.542341  1
  Al  Al93  1  0.685439  0.459648  0.481427  1
  Al  Al94  1  0.822802  0.959648  0.481427  1
  Al  Al95  1  0.823679  0.278671  0.511801  1
  Al  Al96  1  0.823557  0.597522  0.542341  1
  Al  Al97  1  0.322802  0.082758  0.514061  1
  Al  Al98  1  0.323557  0.444884  0.453147  1
  Al  Al99  1  0.323679  0.763735  0.483687  1
  Al  Al100  1  0.517552  0.868173  0.468919  1
  Al  Al101  1  0.516890  0.186965  0.499319  1
  Al  Al102  1  0.517688  0.506175  0.529803  1
  Al  Al103  1  0.990553  0.006175  0.529803  1
  Al  Al104  1  0.990689  0.368173  0.468919  1
  Al  Al105  1  0.991351  0.686965  0.499319  1
  Al  Al106  1  0.490553  0.036231  0.465685  1
  Al  Al107  1  0.491351  0.355441  0.496169  1
  Al  Al108  1  0.490689  0.674233  0.526569  1
  Al  Al109  1  0.019901  0.812916  0.586874  1
  Al  Al110  1  0.017378  0.131371  0.618000  1
  Al  Al111  1  0.018053  0.493614  0.557150  1
  Al  Al112  1  0.184236  0.902065  0.544524  1
  Al  Al113  1  0.186160  0.220775  0.574894  1
  Al  Al114  1  0.187931  0.540172  0.605728  1
  Al  Al115  1  0.188299  0.726414  0.623367  1
  Al  Al116  1  0.185464  0.088228  0.562333  1
  Al  Al117  1  0.185260  0.407621  0.592667  1
  Al  Al118  1  0.322982  0.907621  0.592667  1
  Al  Al119  1  0.319942  0.226414  0.623367  1
  Al  Al120  1  0.322777  0.588228  0.562333  1
  Al  Al121  1  0.682798  0.869462  0.615814  1
  Al  Al122  1  0.684904  0.230087  0.554757  1
  Al  Al123  1  0.684786  0.549420  0.585579  1
  Al  Al124  1  0.823456  0.049420  0.585579  1
  Al  Al125  1  0.825444  0.369462  0.615814  1
  Al  Al126  1  0.823338  0.730087  0.554757  1
  Al  Al127  1  0.683162  0.735418  0.602587  1
  Al  Al128  1  0.680857  0.054896  0.633756  1
  Al  Al129  1  0.686189  0.417096  0.572718  1
  Al  Al130  1  0.822053  0.917096  0.572718  1
  Al  Al131  1  0.825080  0.235418  0.602587  1
  Al  Al132  1  0.827384  0.554896  0.633756  1
  Al  Al133  1  0.320310  0.040172  0.605728  1
  Al  Al134  1  0.324006  0.402065  0.544524  1
  Al  Al135  1  0.322082  0.720775  0.574894  1
  Al  Al136  1  0.516674  0.825199  0.560109  1
  Al  Al137  1  0.517814  0.144394  0.590861  1
  Al  Al138  1  0.518333  0.463614  0.621476  1
  Al  Al139  1  0.989908  0.963614  0.621476  1
  Al  Al140  1  0.991568  0.325199  0.560109  1
  Al  Al141  1  0.990428  0.644394  0.590861  1
  Al  Al142  1  0.490189  0.993614  0.557150  1
  Al  Al143  1  0.488340  0.312916  0.586874  1
  Al  Al144  1  0.490864  0.631371  0.618000  1
  Al  Al145  1  0.033287  0.769048  0.673699  1
  Al  Al146  1  0.073451  0.093760  0.705056  1
  Al  Al147  1  0.012513  0.450129  0.648841  1
  Al  Al148  1  0.190329  0.858768  0.635837  1
  Al  Al149  1  0.179000  0.176979  0.666430  1
  Al  Al150  1  0.179411  0.494538  0.697843  1
  Al  Al151  1  0.135809  0.694035  0.714037  1
  Al  Al152  1  0.190754  0.046136  0.654499  1
  Al  Al153  1  0.175089  0.363735  0.684156  1
  Al  Al154  1  0.333153  0.863735  0.684156  1
  Al  Al155  1  0.372433  0.194035  0.714037  1
  Al  Al156  1  0.317487  0.546136  0.654499  1
  Al  Al157  1  0.698789  0.820791  0.707322  1
  Al  Al158  1  0.686462  0.187775  0.645835  1
  Al  Al159  1  0.678874  0.505063  0.675841  1
  Al  Al160  1  0.829368  1.005063  0.675841  1
  Al  Al161  1  0.809452  0.320791  0.707322  1
  Al  Al162  1  0.821779  0.687775  0.645835  1
  Al  Al163  1  0.699667  0.693916  0.695901  1
  Al  Al164  1  0.711804  0.016269  0.723548  1
  Al  Al165  1  0.678221  0.372873  0.664086  1
  Al  Al166  1  0.830021  0.872873  0.664086  1
  Al  Al167  1  0.808574  0.193916  0.695901  1
  Al  Al168  1  0.796438  0.516269  0.723548  1
  Al  Al169  1  0.328831  0.994538  0.697843  1
  Al  Al170  1  0.317912  0.358768  0.635837  1
  Al  Al171  1  0.329242  0.676979  0.666430  1
  Al  Al172  1  0.526023  0.782426  0.651299  1
  Al  Al173  1  0.518522  0.100819  0.682975  1
  Al  Al174  1  0.507691  0.418199  0.710916  1
  Al  Al175  1  1.000551  0.918199  0.710916  1
  Al  Al176  1  0.982219  0.282426  0.651299  1
  Al  Al177  1  0.989720  0.600819  0.682975  1
  Al  Al178  1  0.495729  0.950129  0.648841  1
  Al  Al179  1  0.474955  0.269048  0.673699  1
  Al  Al180  1  0.434791  0.593760  0.705056  1
  Ni  Ni181  1  0.889814  0.918388  0.360415  1
  Ni  Ni182  1  0.894134  0.281557  0.301247  1
  Ni  Ni183  1  0.882110  0.600363  0.330565  1
  Ni  Ni184  1  0.382369  0.932830  0.330809  1
  Ni  Ni185  1  0.594500  0.230005  0.280298  1
  Ni  Ni186  1  0.381494  0.615889  0.299378  1
  Ni  Ni187  1  0.126748  0.115889  0.299378  1
  Ni  Ni188  1  0.125872  0.432830  0.330809  1
  Ni  Ni189  1  0.913742  0.730005  0.280298  1
  Ni  Ni190  1  0.626132  0.100363  0.330565  1
  Ni  Ni191  1  0.618427  0.418388  0.360415  1
  Ni  Ni192  1  0.614108  0.781557  0.301247  1
  Ni  Ni193  1  0.889111  0.876114  0.452043  1
  Ni  Ni194  1  0.890802  0.237850  0.391240  1
  Ni  Ni195  1  0.889689  0.556796  0.421465  1
  Ni  Ni196  1  0.389589  0.890481  0.421791  1
  Ni  Ni197  1  0.388922  0.251099  0.363014  1
  Ni  Ni198  1  0.390730  0.570726  0.391143  1
  Ni  Ni199  1  0.117512  0.070726  0.391143  1
  Ni  Ni200  1  0.118653  0.390481  0.421791  1
  Ni  Ni201  1  0.119320  0.751099  0.363014  1
  Ni  Ni202  1  0.618553  0.056796  0.421465  1
  Ni  Ni203  1  0.619131  0.376114  0.452043  1
  Ni  Ni204  1  0.617440  0.737850  0.391240  1
  Ni  Ni205  1  0.888079  0.833295  0.543212  1
  Ni  Ni206  1  0.888542  0.194933  0.482468  1
  Ni  Ni207  1  0.889615  0.514067  0.512958  1
  Ni  Ni208  1  0.388542  0.847473  0.513020  1
  Ni  Ni209  1  0.388079  0.209111  0.452276  1
  Ni  Ni210  1  0.389615  0.528339  0.482530  1
  Ni  Ni211  1  0.118626  0.028339  0.482530  1
  Ni  Ni212  1  0.119700  0.347473  0.513020  1
  Ni  Ni213  1  0.120162  0.709111  0.452276  1
  Ni  Ni214  1  0.618626  0.014067  0.512958  1
  Ni  Ni215  1  0.620162  0.333295  0.543212  1
  Ni  Ni216  1  0.619700  0.694933  0.482468  1
  Ni  Ni217  1  0.888922  0.791307  0.632475  1
  Ni  Ni218  1  0.889589  0.151925  0.573697  1
  Ni  Ni219  1  0.890730  0.471680  0.604345  1
  Ni  Ni220  1  0.390802  0.804556  0.604248  1
  Ni  Ni221  1  0.389111  0.166292  0.543445  1
  Ni  Ni222  1  0.389689  0.485610  0.574024  1
  Ni  Ni223  1  0.118553  0.985610  0.574024  1
  Ni  Ni224  1  0.117440  0.304556  0.604248  1
  Ni  Ni225  1  0.119131  0.666292  0.543445  1
  Ni  Ni226  1  0.617512  0.971680  0.604345  1
  Ni  Ni227  1  0.619320  0.291307  0.632475  1
  Ni  Ni228  1  0.618653  0.651925  0.573697  1
  Ni  Ni229  1  0.094500  0.812400  0.715190  1
  Ni  Ni230  1  0.882369  0.109576  0.664679  1
  Ni  Ni231  1  0.881494  0.426517  0.696111  1
  Ni  Ni232  1  0.394134  0.760849  0.694242  1
  Ni  Ni233  1  0.389814  0.124018  0.635073  1
  Ni  Ni234  1  0.382110  0.442043  0.664923  1
  Ni  Ni235  1  0.126132  0.942043  0.664923  1
  Ni  Ni236  1  0.114108  0.260849  0.694242  1
  Ni  Ni237  1  0.118427  0.624018  0.635073  1
  Ni  Ni238  1  0.626748  0.926517  0.696111  1
  Ni  Ni239  1  0.413742  0.312400  0.715190  1
  Ni  Ni240  1  0.625872  0.609576  0.664679  1
