# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18457557
_cell_length_b   23.56499247
_cell_length_c   53.08564995
_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   7736.67484477
_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  0.018513  0.941594  0.312513  1
  Al  Al2  1  0.026017  0.259986  0.344189  1
  Al  Al3  1  0.007686  0.624213  0.284573  1
  Al  Al4  1  0.211796  0.026142  0.271941  1
  Al  Al5  1  0.199662  0.348495  0.299588  1
  Al  Al6  1  0.178211  0.669538  0.331403  1
  Al  Al7  1  0.186454  0.854637  0.349654  1
  Al  Al8  1  0.198784  0.221623  0.288167  1
  Al  Al9  1  0.178866  0.537350  0.319648  1
  Al  Al10  1  0.329361  0.037350  0.319648  1
  Al  Al11  1  0.321773  0.354637  0.349654  1
  Al  Al12  1  0.309443  0.721623  0.288167  1
  Al  Al13  1  0.690745  0.996275  0.340989  1
  Al  Al14  1  0.635796  0.348377  0.281451  1
  Al  Al15  1  0.675082  0.678677  0.311331  1
  Al  Al16  1  0.833145  0.178677  0.311331  1
  Al  Al17  1  0.817482  0.496275  0.340989  1
  Al  Al18  1  0.872431  0.848377  0.281451  1
  Al  Al19  1  0.678990  0.865433  0.329058  1
  Al  Al20  1  0.690323  0.183645  0.359651  1
  Al  Al21  1  0.679402  0.547875  0.297645  1
  Al  Al22  1  0.828824  0.047875  0.297645  1
  Al  Al23  1  0.829237  0.365433  0.329058  1
  Al  Al24  1  0.817904  0.683645  0.359651  1
  Al  Al25  1  0.330016  0.169538  0.331403  1
  Al  Al26  1  0.296430  0.526142  0.271941  1
  Al  Al27  1  0.308565  0.848495  0.299588  1
  Al  Al28  1  0.573445  0.948652  0.290432  1
  Al  Al29  1  0.533283  0.273365  0.321789  1
  Al  Al30  1  0.512506  0.592283  0.346647  1
  Al  Al31  1  0.995720  0.092283  0.346647  1
  Al  Al32  1  0.934781  0.448652  0.290432  1
  Al  Al33  1  0.974944  0.773365  0.321789  1
  Al  Al34  1  0.500541  0.124213  0.284573  1
  Al  Al35  1  0.489713  0.441594  0.312513  1
  Al  Al36  1  0.482210  0.759986  0.344189  1
  Al  Al37  1  0.017808  0.898018  0.404627  1
  Al  Al38  1  0.016668  0.217213  0.435379  1
  Al  Al39  1  0.018327  0.578798  0.374012  1
  Al  Al40  1  0.180849  0.987515  0.361732  1
  Al  Al41  1  0.183153  0.306993  0.392901  1
  Al  Al42  1  0.186181  0.625314  0.422770  1
  Al  Al43  1  0.184896  0.812325  0.440731  1
  Al  Al44  1  0.182789  0.172951  0.379674  1
  Al  Al45  1  0.184777  0.492993  0.409909  1
  Al  Al46  1  0.323450  0.992993  0.409909  1
  Al  Al47  1  0.323331  0.312325  0.440731  1
  Al  Al48  1  0.325438  0.672951  0.379674  1
  Al  Al49  1  0.685456  0.954183  0.433155  1
  Al  Al50  1  0.688292  0.315997  0.372121  1
  Al  Al51  1  0.685251  0.634790  0.402820  1
  Al  Al52  1  0.822975  0.134790  0.402820  1
  Al  Al53  1  0.822771  0.454183  0.433155  1
  Al  Al54  1  0.819935  0.815997  0.372121  1
  Al  Al55  1  0.686152  0.821638  0.420594  1
  Al  Al56  1  0.684228  0.140347  0.450964  1
  Al  Al57  1  0.687923  0.502241  0.389760  1
  Al  Al58  1  0.820303  1.002241  0.389760  1
  Al  Al59  1  0.822075  0.321638  0.420594  1
  Al  Al60  1  0.823999  0.640347  0.450964  1
  Al  Al61  1  0.322046  0.125314  0.422770  1
  Al  Al62  1  0.327378  0.487515  0.361732  1
  Al  Al63  1  0.325074  0.806993  0.392901  1
  Al  Al64  1  0.517371  0.911041  0.377488  1
  Al  Al65  1  0.519895  0.229496  0.408615  1
  Al  Al66  1  0.518047  0.548797  0.438338  1
  Al  Al67  1  0.990180  0.048797  0.438338  1
  Al  Al68  1  0.990856  0.411041  0.377488  1
  Al  Al69  1  0.988332  0.729496  0.408615  1
  Al  Al70  1  0.489900  0.078798  0.374012  1
  Al  Al71  1  0.490419  0.398018  0.404627  1
  Al  Al72  1  0.491559  0.717213  0.435379  1
  Al  Al73  1  0.016884  0.855446  0.496169  1
  Al  Al74  1  0.017546  0.174239  0.526568  1
  Al  Al75  1  0.017682  0.536237  0.465685  1
  Al  Al76  1  0.184677  0.944889  0.453147  1
  Al  Al77  1  0.184554  0.263740  0.483687  1
  Al  Al78  1  0.185431  0.582763  0.514061  1
  Al  Al79  1  0.184106  0.769317  0.531795  1
  Al  Al80  1  0.183723  0.131019  0.470945  1
  Al  Al81  1  0.185293  0.450335  0.501372  1
  Al  Al82  1  0.322933  0.950335  0.501372  1
  Al  Al83  1  0.324121  0.269317  0.531795  1
  Al  Al84  1  0.324503  0.631019  0.470945  1
  Al  Al85  1  0.683723  0.911398  0.524543  1
  Al  Al86  1  0.684106  0.273100  0.463693  1
  Al  Al87  1  0.685293  0.592082  0.494115  1
  Al  Al88  1  0.822933  0.092082  0.494115  1
  Al  Al89  1  0.824503  0.411398  0.524543  1
  Al  Al90  1  0.824121  0.773100  0.463693  1
  Al  Al91  1  0.684554  0.778677  0.511800  1
  Al  Al92  1  0.684677  0.097528  0.542340  1
  Al  Al93  1  0.685431  0.459654  0.481427  1
  Al  Al94  1  0.822796  0.959654  0.481427  1
  Al  Al95  1  0.823672  0.278677  0.511800  1
  Al  Al96  1  0.823550  0.597528  0.542340  1
  Al  Al97  1  0.322796  0.082763  0.514061  1
  Al  Al98  1  0.323550  0.444889  0.453147  1
  Al  Al99  1  0.323672  0.763740  0.483687  1
  Al  Al100  1  0.517546  0.868178  0.468919  1
  Al  Al101  1  0.516884  0.186971  0.499318  1
  Al  Al102  1  0.517682  0.506180  0.529803  1
  Al  Al103  1  0.990545  0.006180  0.529803  1
  Al  Al104  1  0.990681  0.368178  0.468919  1
  Al  Al105  1  0.991343  0.686971  0.499318  1
  Al  Al106  1  0.490545  0.036237  0.465685  1
  Al  Al107  1  0.491343  0.355446  0.496169  1
  Al  Al108  1  0.490681  0.674239  0.526568  1
  Al  Al109  1  0.019895  0.812921  0.586873  1
  Al  Al110  1  0.017371  0.131376  0.618000  1
  Al  Al111  1  0.018047  0.493620  0.557149  1
  Al  Al112  1  0.184228  0.902070  0.544523  1
  Al  Al113  1  0.186152  0.220779  0.574894  1
  Al  Al114  1  0.187923  0.540176  0.605727  1
  Al  Al115  1  0.188292  0.726420  0.623367  1
  Al  Al116  1  0.185456  0.088234  0.562333  1
  Al  Al117  1  0.185251  0.407627  0.592667  1
  Al  Al118  1  0.322975  0.907627  0.592667  1
  Al  Al119  1  0.319935  0.226420  0.623367  1
  Al  Al120  1  0.322771  0.588234  0.562333  1
  Al  Al121  1  0.682789  0.869466  0.615813  1
  Al  Al122  1  0.684896  0.230092  0.554756  1
  Al  Al123  1  0.684777  0.549424  0.585578  1
  Al  Al124  1  0.823450  0.049424  0.585578  1
  Al  Al125  1  0.825438  0.369466  0.615813  1
  Al  Al126  1  0.823331  0.730092  0.554756  1
  Al  Al127  1  0.683153  0.735424  0.602586  1
  Al  Al128  1  0.680849  0.054902  0.633755  1
  Al  Al129  1  0.686181  0.417102  0.572717  1
  Al  Al130  1  0.822046  0.917102  0.572717  1
  Al  Al131  1  0.825074  0.235424  0.602586  1
  Al  Al132  1  0.827378  0.554902  0.633755  1
  Al  Al133  1  0.320303  0.040176  0.605727  1
  Al  Al134  1  0.323999  0.402070  0.544523  1
  Al  Al135  1  0.322075  0.720779  0.574894  1
  Al  Al136  1  0.516668  0.825204  0.560108  1
  Al  Al137  1  0.517808  0.144399  0.590860  1
  Al  Al138  1  0.518327  0.463619  0.621475  1
  Al  Al139  1  0.989900  0.963619  0.621475  1
  Al  Al140  1  0.991559  0.325204  0.560108  1
  Al  Al141  1  0.990419  0.644399  0.590860  1
  Al  Al142  1  0.490180  0.993620  0.557149  1
  Al  Al143  1  0.488332  0.312921  0.586873  1
  Al  Al144  1  0.490856  0.631376  0.618000  1
  Al  Al145  1  0.033283  0.769052  0.673698  1
  Al  Al146  1  0.073445  0.093765  0.705055  1
  Al  Al147  1  0.012506  0.450134  0.648841  1
  Al  Al148  1  0.190323  0.858772  0.635836  1
  Al  Al149  1  0.178990  0.176984  0.666430  1
  Al  Al150  1  0.179402  0.494542  0.697842  1
  Al  Al151  1  0.135796  0.694040  0.714036  1
  Al  Al152  1  0.190745  0.046142  0.654498  1
  Al  Al153  1  0.175082  0.363740  0.684156  1
  Al  Al154  1  0.333145  0.863740  0.684156  1
  Al  Al155  1  0.372431  0.194040  0.714036  1
  Al  Al156  1  0.317482  0.546142  0.654498  1
  Al  Al157  1  0.698784  0.820794  0.707320  1
  Al  Al158  1  0.686454  0.187780  0.645833  1
  Al  Al159  1  0.678866  0.505067  0.675839  1
  Al  Al160  1  0.829361  1.005067  0.675839  1
  Al  Al161  1  0.809443  0.320794  0.707320  1
  Al  Al162  1  0.821773  0.687780  0.645833  1
  Al  Al163  1  0.699662  0.693922  0.695900  1
  Al  Al164  1  0.711796  0.016275  0.723547  1
  Al  Al165  1  0.678211  0.372879  0.664085  1
  Al  Al166  1  0.830016  0.872879  0.664085  1
  Al  Al167  1  0.808565  0.193922  0.695900  1
  Al  Al168  1  0.796430  0.516275  0.723547  1
  Al  Al169  1  0.328824  0.994542  0.697842  1
  Al  Al170  1  0.317904  0.358772  0.635836  1
  Al  Al171  1  0.329237  0.676984  0.666430  1
  Al  Al172  1  0.526017  0.782431  0.651298  1
  Al  Al173  1  0.518513  0.100823  0.682974  1
  Al  Al174  1  0.507686  0.418204  0.710915  1
  Al  Al175  1  1.000541  0.918204  0.710915  1
  Al  Al176  1  0.982210  0.282431  0.651298  1
  Al  Al177  1  0.989713  0.600823  0.682974  1
  Al  Al178  1  0.495720  0.950134  0.648841  1
  Al  Al179  1  0.474944  0.269052  0.673698  1
  Al  Al180  1  0.434781  0.593765  0.705055  1
  Ni  Ni181  1  0.889804  0.918393  0.360415  1
  Ni  Ni182  1  0.894124  0.281564  0.301246  1
  Ni  Ni183  1  0.882100  0.600369  0.330565  1
  Ni  Ni184  1  0.382360  0.932836  0.330809  1
  Ni  Ni185  1  0.594488  0.230012  0.280298  1
  Ni  Ni186  1  0.381485  0.615896  0.299378  1
  Ni  Ni187  1  0.126742  0.115896  0.299378  1
  Ni  Ni188  1  0.125867  0.432836  0.330809  1
  Ni  Ni189  1  0.913739  0.730012  0.280298  1
  Ni  Ni190  1  0.626127  0.100369  0.330565  1
  Ni  Ni191  1  0.618423  0.418393  0.360415  1
  Ni  Ni192  1  0.614103  0.781564  0.301246  1
  Ni  Ni193  1  0.889102  0.876119  0.452043  1
  Ni  Ni194  1  0.890792  0.237855  0.391241  1
  Ni  Ni195  1  0.889680  0.556802  0.421464  1
  Ni  Ni196  1  0.389579  0.890487  0.421790  1
  Ni  Ni197  1  0.388914  0.251105  0.363014  1
  Ni  Ni198  1  0.390721  0.570732  0.391143  1
  Ni  Ni199  1  0.117506  0.070732  0.391143  1
  Ni  Ni200  1  0.118647  0.390487  0.421790  1
  Ni  Ni201  1  0.119313  0.751105  0.363014  1
  Ni  Ni202  1  0.618547  0.056802  0.421464  1
  Ni  Ni203  1  0.619125  0.376119  0.452043  1
  Ni  Ni204  1  0.617435  0.737855  0.391241  1
  Ni  Ni205  1  0.888070  0.833300  0.543211  1
  Ni  Ni206  1  0.888532  0.194938  0.482468  1
  Ni  Ni207  1  0.889606  0.514072  0.512957  1
  Ni  Ni208  1  0.388532  0.847478  0.513019  1
  Ni  Ni209  1  0.388070  0.209117  0.452276  1
  Ni  Ni210  1  0.389606  0.528345  0.482530  1
  Ni  Ni211  1  0.118621  0.028345  0.482530  1
  Ni  Ni212  1  0.119694  0.347478  0.513019  1
  Ni  Ni213  1  0.120157  0.709117  0.452276  1
  Ni  Ni214  1  0.618621  0.014072  0.512957  1
  Ni  Ni215  1  0.620157  0.333300  0.543211  1
  Ni  Ni216  1  0.619694  0.694938  0.482468  1
  Ni  Ni217  1  0.888914  0.791312  0.632474  1
  Ni  Ni218  1  0.889579  0.151930  0.573697  1
  Ni  Ni219  1  0.890721  0.471685  0.604345  1
  Ni  Ni220  1  0.390792  0.804562  0.604247  1
  Ni  Ni221  1  0.389102  0.166298  0.543444  1
  Ni  Ni222  1  0.389680  0.485615  0.574023  1
  Ni  Ni223  1  0.118547  0.985615  0.574023  1
  Ni  Ni224  1  0.117435  0.304562  0.604247  1
  Ni  Ni225  1  0.119125  0.666298  0.543444  1
  Ni  Ni226  1  0.617506  0.971685  0.604345  1
  Ni  Ni227  1  0.619313  0.291312  0.632474  1
  Ni  Ni228  1  0.618647  0.651930  0.573697  1
  Ni  Ni229  1  0.094488  0.812405  0.715189  1
  Ni  Ni230  1  0.882360  0.109581  0.664678  1
  Ni  Ni231  1  0.881485  0.426521  0.696110  1
  Ni  Ni232  1  0.394124  0.760853  0.694241  1
  Ni  Ni233  1  0.389804  0.124024  0.635072  1
  Ni  Ni234  1  0.382100  0.442048  0.664922  1
  Ni  Ni235  1  0.126127  0.942048  0.664922  1
  Ni  Ni236  1  0.114103  0.260853  0.694241  1
  Ni  Ni237  1  0.118423  0.624024  0.635072  1
  Ni  Ni238  1  0.626742  0.926521  0.696110  1
  Ni  Ni239  1  0.413739  0.312405  0.715189  1
  Ni  Ni240  1  0.625867  0.609581  0.664678  1
