# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.15148744
_cell_length_b   12.25648875
_cell_length_c   48.34480285
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.17961302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al192 Ni64'
_cell_volume   8384.93154029
_cell_formula_units_Z   64
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  0.923119  0.921965  0.383176  1
  Al  Al2  1  0.423119  0.921965  0.383176  1
  Al  Al3  1  0.007912  0.181815  0.327524  1
  Al  Al4  1  0.507912  0.181815  0.327524  1
  Al  Al5  1  0.082358  0.385101  0.330541  1
  Al  Al6  1  0.582358  0.385101  0.330541  1
  Al  Al7  1  0.996701  0.113963  0.384796  1
  Al  Al8  1  0.496701  0.113963  0.384796  1
  Al  Al9  1  0.149826  0.199011  0.287382  1
  Al  Al10  1  0.649826  0.199011  0.287382  1
  Al  Al11  1  0.065737  0.927758  0.343609  1
  Al  Al12  1  0.565737  0.927758  0.343609  1
  Al  Al13  1  0.166685  0.528241  0.319565  1
  Al  Al14  1  0.666685  0.528241  0.319565  1
  Al  Al15  1  0.078908  0.260635  0.377021  1
  Al  Al16  1  0.578908  0.260635  0.377021  1
  Al  Al17  1  0.312192  0.310833  0.345152  1
  Al  Al18  1  0.812192  0.310833  0.345152  1
  Al  Al19  1  0.395040  0.571314  0.289318  1
  Al  Al20  1  0.895040  0.571314  0.289318  1
  Al  Al21  1  0.326069  0.640956  0.379899  1
  Al  Al22  1  0.826069  0.640956  0.379899  1
  Al  Al23  1  0.406862  0.909624  0.323113  1
  Al  Al24  1  0.906862  0.909624  0.323113  1
  Al  Al25  1  0.377087  0.128622  0.298308  1
  Al  Al26  1  0.877087  0.128622  0.298308  1
  Al  Al27  1  0.291159  0.861376  0.356479  1
  Al  Al28  1  0.791159  0.861376  0.356479  1
  Al  Al29  1  0.396135  0.455915  0.337927  1
  Al  Al30  1  0.896135  0.455915  0.337927  1
  Al  Al31  1  0.491958  0.707455  0.283639  1
  Al  Al32  1  0.991958  0.707455  0.283639  1
  Al  Al33  1  0.100481  0.705551  0.367211  1
  Al  Al34  1  0.600481  0.705551  0.367211  1
  Al  Al35  1  0.191527  0.967809  0.309168  1
  Al  Al36  1  0.691527  0.967809  0.309168  1
  Al  Al37  1  0.333615  0.381291  0.289702  1
  Al  Al38  1  0.833615  0.381291  0.289702  1
  Al  Al39  1  0.239920  0.135778  0.340513  1
  Al  Al40  1  0.739920  0.135778  0.340513  1
  Al  Al41  1  0.553996  0.904701  0.287027  1
  Al  Al42  1  0.053996  0.904701  0.287027  1
  Al  Al43  1  0.469767  0.647767  0.339601  1
  Al  Al44  1  0.969767  0.647767  0.339601  1
  Al  Al45  1  0.152276  0.435907  0.381685  1
  Al  Al46  1  0.652276  0.435907  0.381685  1
  Al  Al47  1  0.234900  0.700555  0.326690  1
  Al  Al48  1  0.734900  0.700555  0.326690  1
  Al  Al49  1  0.748627  0.395935  0.496232  1
  Al  Al50  1  0.248627  0.395935  0.496232  1
  Al  Al51  1  0.835805  0.660315  0.440258  1
  Al  Al52  1  0.335805  0.660315  0.440258  1
  Al  Al53  1  0.910396  0.850582  0.441456  1
  Al  Al54  1  0.410396  0.850582  0.441456  1
  Al  Al55  1  0.823988  0.585815  0.497270  1
  Al  Al56  1  0.323988  0.585815  0.497270  1
  Al  Al57  1  0.977956  0.664771  0.398797  1
  Al  Al58  1  0.477956  0.664771  0.398797  1
  Al  Al59  1  0.891383  0.401245  0.453752  1
  Al  Al60  1  0.391383  0.401245  0.453752  1
  Al  Al61  1  0.994066  0.996425  0.433295  1
  Al  Al62  1  0.494066  0.996425  0.433295  1
  Al  Al63  1  0.907377  0.732245  0.489442  1
  Al  Al64  1  0.407377  0.732245  0.489442  1
  Al  Al65  1  0.138226  0.782083  0.455920  1
  Al  Al66  1  0.638226  0.782083  0.455920  1
  Al  Al67  1  0.223519  0.046011  0.399252  1
  Al  Al68  1  0.723519  0.046011  0.399252  1
  Al  Al69  1  0.153439  0.112593  0.491693  1
  Al  Al70  1  0.653439  0.112593  0.491693  1
  Al  Al71  1  0.240282  0.375541  0.435765  1
  Al  Al72  1  0.740282  0.375541  0.435765  1
  Al  Al73  1  0.206970  0.596595  0.412623  1
  Al  Al74  1  0.706970  0.596595  0.412623  1
  Al  Al75  1  0.119642  0.332959  0.468024  1
  Al  Al76  1  0.619642  0.332959  0.468024  1
  Al  Al77  1  0.221154  0.929185  0.447827  1
  Al  Al78  1  0.721154  0.929185  0.447827  1
  Al  Al79  1  0.309395  0.188926  0.391977  1
  Al  Al80  1  0.809395  0.188926  0.391977  1
  Al  Al81  1  0.925980  0.179955  0.477159  1
  Al  Al82  1  0.425980  0.179955  0.477159  1
  Al  Al83  1  0.013327  0.442577  0.421792  1
  Al  Al84  1  0.513327  0.442577  0.421792  1
  Al  Al85  1  0.154297  0.868214  0.396547  1
  Al  Al86  1  0.654297  0.868214  0.396547  1
  Al  Al87  1  0.067338  0.604559  0.452228  1
  Al  Al88  1  0.567338  0.604559  0.452228  1
  Al  Al89  1  0.381911  0.383043  0.393515  1
  Al  Al90  1  0.881911  0.383043  0.393515  1
  Al  Al91  1  0.295953  0.117665  0.448925  1
  Al  Al92  1  0.795953  0.117665  0.448925  1
  Al  Al93  1  0.978073  0.909523  0.493410  1
  Al  Al94  1  0.478073  0.909523  0.493410  1
  Al  Al95  1  0.065008  0.173127  0.437317  1
  Al  Al96  1  0.565008  0.173127  0.437317  1
  Al  Al97  1  0.576597  0.867134  0.607631  1
  Al  Al98  1  0.076597  0.867134  0.607631  1
  Al  Al99  1  0.662556  0.132511  0.552220  1
  Al  Al100  1  0.162556  0.132511  0.552220  1
  Al  Al101  1  0.737355  0.320992  0.553319  1
  Al  Al102  1  0.237355  0.320992  0.553319  1
  Al  Al103  1  0.649113  0.061250  0.609168  1
  Al  Al104  1  0.149113  0.061250  0.609168  1
  Al  Al105  1  0.805069  0.137583  0.509452  1
  Al  Al106  1  0.305069  0.137583  0.509452  1
  Al  Al107  1  0.718226  0.874636  0.565380  1
  Al  Al108  1  0.218226  0.874636  0.565380  1
  Al  Al109  1  0.820283  0.468093  0.545225  1
  Al  Al110  1  0.320283  0.468093  0.545225  1
  Al  Al111  1  0.734989  0.204166  0.601893  1
  Al  Al112  1  0.234989  0.204166  0.601893  1
  Al  Al113  1  0.964442  0.253752  0.567850  1
  Al  Al114  1  0.464442  0.253752  0.567850  1
  Al  Al115  1  0.051131  0.517932  0.511703  1
  Al  Al116  1  0.551131  0.517932  0.511703  1
  Al  Al117  1  0.980553  0.585406  0.602348  1
  Al  Al118  1  0.480553  0.585406  0.602348  1
  Al  Al119  1  0.067126  0.848932  0.547394  1
  Al  Al120  1  0.567126  0.848932  0.547394  1
  Al  Al121  1  0.032528  0.070221  0.523986  1
  Al  Al122  1  0.532528  0.070221  0.523986  1
  Al  Al123  1  0.945182  0.807600  0.579353  1
  Al  Al124  1  0.445182  0.807600  0.579353  1
  Al  Al125  1  0.048113  0.399595  0.559689  1
  Al  Al126  1  0.548113  0.399595  0.559689  1
  Al  Al127  1  0.134521  0.664362  0.503875  1
  Al  Al128  1  0.634521  0.664362  0.503875  1
  Al  Al129  1  0.751539  0.653582  0.588522  1
  Al  Al130  1  0.251539  0.653582  0.588522  1
  Al  Al131  1  0.838866  0.917218  0.533121  1
  Al  Al132  1  0.338866  0.917218  0.533121  1
  Al  Al133  1  0.980436  0.340654  0.507735  1
  Al  Al134  1  0.480436  0.340654  0.507735  1
  Al  Al135  1  0.893500  0.077050  0.563828  1
  Al  Al136  1  0.393500  0.077050  0.563828  1
  Al  Al137  1  0.209882  0.854241  0.504913  1
  Al  Al138  1  0.709882  0.854241  0.504913  1
  Al  Al139  1  0.122704  0.589862  0.560887  1
  Al  Al140  1  0.622704  0.589862  0.560887  1
  Al  Al141  1  0.804212  0.381963  0.604598  1
  Al  Al142  1  0.304212  0.381963  0.604598  1
  Al  Al143  1  0.891171  0.645618  0.548917  1
  Al  Al144  1  0.391171  0.645618  0.548917  1
  Al  Al145  1  0.404513  0.345475  0.714119  1
  Al  Al146  1  0.904513  0.345475  0.714119  1
  Al  Al147  1  0.488742  0.602410  0.661544  1
  Al  Al148  1  0.988742  0.602410  0.661544  1
  Al  Al149  1  0.562374  0.794261  0.663218  1
  Al  Al150  1  0.062374  0.794261  0.663218  1
  Al  Al151  1  0.466551  0.542722  0.717507  1
  Al  Al152  1  0.966551  0.542722  0.717507  1
  Al  Al153  1  0.632440  0.609220  0.621246  1
  Al  Al154  1  0.132440  0.609220  0.621246  1
  Al  Al155  1  0.551647  0.340553  0.678032  1
  Al  Al156  1  0.051647  0.340553  0.678032  1
  Al  Al157  1  0.646317  0.939344  0.655993  1
  Al  Al158  1  0.146317  0.939344  0.655993  1
  Al  Al159  1  0.563469  0.678862  0.711828  1
  Al  Al160  1  0.063469  0.678862  0.711828  1
  Al  Al161  1  0.791823  0.721935  0.681581  1
  Al  Al162  1  0.291823  0.721935  0.681581  1
  Al  Al163  1  0.879601  0.989541  0.624125  1
  Al  Al164  1  0.379601  0.989541  0.624125  1
  Al  Al165  1  0.808682  0.051166  0.713763  1
  Al  Al166  1  0.308682  0.051166  0.713763  1
  Al  Al167  1  0.892772  0.322418  0.657536  1
  Al  Al168  1  0.392772  0.322418  0.657536  1
  Al  Al169  1  0.858028  0.544626  0.633935  1
  Al  Al170  1  0.358028  0.544626  0.633935  1
  Al  Al171  1  0.766981  0.282367  0.691978  1
  Al  Al172  1  0.266981  0.282367  0.691978  1
  Al  Al173  1  0.876151  0.865076  0.670604  1
  Al  Al174  1  0.376151  0.865076  0.670604  1
  Al  Al175  1  0.961807  0.136213  0.616349  1
  Al  Al176  1  0.461807  0.136213  0.616349  1
  Al  Al177  1  0.581421  0.121554  0.702838  1
  Al  Al178  1  0.081421  0.121554  0.702838  1
  Al  Al179  1  0.667350  0.388801  0.644667  1
  Al  Al180  1  0.167350  0.388801  0.644667  1
  Al  Al181  1  0.806233  0.814269  0.619461  1
  Al  Al182  1  0.306233  0.814269  0.619461  1
  Al  Al183  1  0.723609  0.549622  0.674455  1
  Al  Al184  1  0.223609  0.549622  0.674455  1
  Al  Al185  1  0.035390  0.328212  0.617970  1
  Al  Al186  1  0.535390  0.328212  0.617970  1
  Al  Al187  1  0.950597  0.068362  0.673621  1
  Al  Al188  1  0.450597  0.068362  0.673621  1
  Al  Al189  1  0.624894  0.868886  0.711443  1
  Al  Al190  1  0.124894  0.868886  0.711443  1
  Al  Al191  1  0.718588  0.114398  0.660632  1
  Al  Al192  1  0.218588  0.114398  0.660632  1
  Ni  Ni193  1  0.403776  0.087666  0.348105  1
  Ni  Ni194  1  0.903776  0.087666  0.348105  1
  Ni  Ni195  1  0.490025  0.349474  0.296956  1
  Ni  Ni196  1  0.990025  0.349474  0.296956  1
  Ni  Ni197  1  0.226572  0.306759  0.305974  1
  Ni  Ni198  1  0.726572  0.306759  0.305974  1
  Ni  Ni199  1  0.140173  0.047576  0.357484  1
  Ni  Ni200  1  0.640173  0.047576  0.357484  1
  Ni  Ni201  1  0.068251  0.749480  0.320115  1
  Ni  Ni202  1  0.568251  0.749480  0.320115  1
  Ni  Ni203  1  0.988479  0.483943  0.373017  1
  Ni  Ni204  1  0.488479  0.483943  0.373017  1
  Ni  Ni205  1  0.250164  0.524514  0.362567  1
  Ni  Ni206  1  0.750164  0.524514  0.362567  1
  Ni  Ni207  1  0.341333  0.776871  0.308889  1
  Ni  Ni208  1  0.841333  0.776871  0.308889  1
  Ni  Ni209  1  0.230168  0.558546  0.461860  1
  Ni  Ni210  1  0.730168  0.558546  0.461860  1
  Ni  Ni211  1  0.317215  0.823501  0.405699  1
  Ni  Ni212  1  0.817215  0.823501  0.405699  1
  Ni  Ni213  1  0.053181  0.782393  0.414831  1
  Ni  Ni214  1  0.553181  0.782393  0.414831  1
  Ni  Ni215  1  0.966839  0.517683  0.470382  1
  Ni  Ni216  1  0.466839  0.517683  0.470382  1
  Ni  Ni217  1  0.901980  0.218916  0.427550  1
  Ni  Ni218  1  0.401980  0.218916  0.427550  1
  Ni  Ni219  1  0.814913  0.955260  0.483626  1
  Ni  Ni220  1  0.314913  0.955260  0.483626  1
  Ni  Ni221  1  0.078423  0.996024  0.474920  1
  Ni  Ni222  1  0.578423  0.996024  0.474920  1
  Ni  Ni223  1  0.165352  0.259276  0.418418  1
  Ni  Ni224  1  0.665352  0.259276  0.418418  1
  Ni  Ni225  1  0.056529  0.031261  0.573596  1
  Ni  Ni226  1  0.556529  0.031261  0.573596  1
  Ni  Ni227  1  0.143596  0.294917  0.517519  1
  Ni  Ni228  1  0.643596  0.294917  0.517519  1
  Ni  Ni229  1  0.880086  0.254153  0.526226  1
  Ni  Ni230  1  0.380086  0.254153  0.526226  1
  Ni  Ni231  1  0.793156  0.990901  0.582727  1
  Ni  Ni232  1  0.293156  0.990901  0.582727  1
  Ni  Ni233  1  0.728341  0.691630  0.539285  1
  Ni  Ni234  1  0.228341  0.691630  0.539285  1
  Ni  Ni235  1  0.641294  0.426675  0.595446  1
  Ni  Ni236  1  0.141294  0.426675  0.595446  1
  Ni  Ni237  1  0.905328  0.467784  0.586315  1
  Ni  Ni238  1  0.405328  0.467784  0.586315  1
  Ni  Ni239  1  0.991670  0.732493  0.530763  1
  Ni  Ni240  1  0.491670  0.732493  0.530763  1
  Ni  Ni241  1  0.890258  0.500697  0.681030  1
  Ni  Ni242  1  0.390258  0.500697  0.681030  1
  Ni  Ni243  1  0.970029  0.766233  0.628128  1
  Ni  Ni244  1  0.470029  0.766233  0.628128  1
  Ni  Ni245  1  0.708344  0.725662  0.638579  1
  Ni  Ni246  1  0.208344  0.725662  0.638579  1
  Ni  Ni247  1  0.617176  0.473306  0.692257  1
  Ni  Ni248  1  0.117176  0.473306  0.692257  1
  Ni  Ni249  1  0.554732  0.162511  0.653041  1
  Ni  Ni250  1  0.054732  0.162511  0.653041  1
  Ni  Ni251  1  0.468484  0.900703  0.704190  1
  Ni  Ni252  1  0.968484  0.900703  0.704190  1
  Ni  Ni253  1  0.731937  0.943418  0.695172  1
  Ni  Ni254  1  0.231937  0.943418  0.695172  1
  Ni  Ni255  1  0.818335  0.202601  0.643662  1
  Ni  Ni256  1  0.318335  0.202601  0.643662  1
