# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86646397
_cell_length_b   22.93488760
_cell_length_c   56.40074760
_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   'Al144 Ni48'
_cell_volume   6294.98920147
_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  0.615769  0.350601  0.335284  1
  Al  Al2  1  0.610607  0.043971  0.300210  1
  Al  Al3  1  0.609303  0.657963  0.373216  1
  Al  Al4  1  0.141454  0.301433  0.312361  1
  Al  Al5  1  0.147529  0.997269  0.275094  1
  Al  Al6  1  0.136251  0.608590  0.350070  1
  Al  Al7  1  0.139633  0.422073  0.327407  1
  Al  Al8  1  0.131547  0.115778  0.289679  1
  Al  Al9  1  0.133737  0.728374  0.363852  1
  Al  Al10  1  0.637125  0.282539  0.290952  1
  Al  Al11  1  0.632055  0.892816  0.365624  1
  Al  Al12  1  0.633555  0.587548  0.331139  1
  Al  Al13  1  0.381533  0.262747  0.367106  1
  Al  Al14  1  0.377879  0.955255  0.330670  1
  Al  Al15  1  0.416598  0.650003  0.292522  1
  Al  Al16  1  0.880363  0.120924  0.332997  1
  Al  Al17  1  0.886807  0.815335  0.294347  1
  Al  Al18  1  0.877833  0.427278  0.369949  1
  Al  Al19  1  0.379360  0.381491  0.381608  1
  Al  Al20  1  0.378759  0.075262  0.344754  1
  Al  Al21  1  0.389161  0.767738  0.307500  1
  Al  Al22  1  0.880030  0.239965  0.347189  1
  Al  Al23  1  0.878353  0.933566  0.309922  1
  Al  Al24  1  0.876501  0.546336  0.384315  1
  Al  Al25  1  0.628673  0.163055  0.277871  1
  Al  Al26  1  0.631607  0.773124  0.351475  1
  Al  Al27  1  0.631477  0.468025  0.314122  1
  Al  Al28  1  0.922174  0.391734  0.284024  1
  Al  Al29  1  0.900570  1.003369  0.354001  1
  Al  Al30  1  0.905638  0.694116  0.319786  1
  Al  Al31  1  0.403681  0.192283  0.323346  1
  Al  Al32  1  0.382158  0.885858  0.288972  1
  Al  Al33  1  0.401510  0.498417  0.360280  1
  Al  Al34  1  0.108641  0.152821  0.378795  1
  Al  Al35  1  0.111638  0.844179  0.340857  1
  Al  Al36  1  0.142277  0.541314  0.306217  1
  Al  Al37  1  0.607311  0.269606  0.447191  1
  Al  Al38  1  0.609055  0.963146  0.410050  1
  Al  Al39  1  0.607468  0.575852  0.484325  1
  Al  Al40  1  0.129049  0.222130  0.423159  1
  Al  Al41  1  0.131193  0.915802  0.385675  1
  Al  Al42  1  0.128576  0.528457  0.460256  1
  Al  Al43  1  0.128219  0.341221  0.437494  1
  Al  Al44  1  0.130091  0.035018  0.400214  1
  Al  Al45  1  0.129576  0.647909  0.474794  1
  Al  Al46  1  0.628925  0.199815  0.402845  1
  Al  Al47  1  0.629454  0.812842  0.477380  1
  Al  Al48  1  0.628282  0.506145  0.439993  1
  Al  Al49  1  0.380075  0.181863  0.478867  1
  Al  Al50  1  0.381657  0.875648  0.441740  1
  Al  Al51  1  0.377876  0.569113  0.404521  1
  Al  Al52  1  0.881012  0.040228  0.444126  1
  Al  Al53  1  0.880482  0.734480  0.407299  1
  Al  Al54  1  0.879729  0.346598  0.481362  1
  Al  Al55  1  0.379642  0.300959  0.493299  1
  Al  Al56  1  0.380914  0.994633  0.456104  1
  Al  Al57  1  0.380248  0.688546  0.419168  1
  Al  Al58  1  0.880087  0.159363  0.458619  1
  Al  Al59  1  0.881840  0.853252  0.421328  1
  Al  Al60  1  0.879397  0.465590  0.495707  1
  Al  Al61  1  0.630729  0.080634  0.388348  1
  Al  Al62  1  0.629365  0.693640  0.462918  1
  Al  Al63  1  0.628138  0.386807  0.425507  1
  Al  Al64  1  0.901318  0.309582  0.391461  1
  Al  Al65  1  0.902202  0.922881  0.465744  1
  Al  Al66  1  0.900397  0.616400  0.428989  1
  Al  Al67  1  0.401930  0.111919  0.434442  1
  Al  Al68  1  0.403665  0.806006  0.397478  1
  Al  Al69  1  0.400720  0.418211  0.471588  1
  Al  Al70  1  0.107939  0.071667  0.490236  1
  Al  Al71  1  0.108375  0.765742  0.453252  1
  Al  Al72  1  0.106421  0.458641  0.415839  1
  Al  Al73  1  0.606952  0.189008  0.558815  1
  Al  Al74  1  0.608162  0.882716  0.521669  1
  Al  Al75  1  0.605218  0.494921  0.595780  1
  Al  Al76  1  0.128796  0.141564  0.534638  1
  Al  Al77  1  0.129485  0.835336  0.497551  1
  Al  Al78  1  0.127043  0.447675  0.571929  1
  Al  Al79  1  0.127871  0.260698  0.549132  1
  Al  Al80  1  0.129153  0.954329  0.511896  1
  Al  Al81  1  0.128400  0.566447  0.585959  1
  Al  Al82  1  0.628808  0.119063  0.514391  1
  Al  Al83  1  0.631006  0.731814  0.588736  1
  Al  Al84  1  0.627226  0.425279  0.551518  1
  Al  Al85  1  0.379958  0.101111  0.590413  1
  Al  Al86  1  0.380601  0.794782  0.553265  1
  Al  Al87  1  0.379428  0.488085  0.515878  1
  Al  Al88  1  0.880663  0.959706  0.555764  1
  Al  Al89  1  0.879307  0.653017  0.518464  1
  Al  Al90  1  0.878792  0.265909  0.593044  1
  Al  Al91  1  0.378153  0.220293  0.604909  1
  Al  Al92  1  0.380744  0.914120  0.567750  1
  Al  Al93  1  0.379517  0.607287  0.530339  1
  Al  Al94  1  0.879834  0.078796  0.570098  1
  Al  Al95  1  0.880307  0.772470  0.533001  1
  Al  Al96  1  0.877689  0.385124  0.607582  1
  Al  Al97  1  0.629241  0.999967  0.499959  1
  Al  Al98  1  0.628635  0.612381  0.574090  1
  Al  Al99  1  0.627969  0.306294  0.537153  1
  Al  Al100  1  0.900944  0.229259  0.503022  1
  Al  Al101  1  0.902461  0.842286  0.577418  1
  Al  Al102  1  0.900507  0.535185  0.540006  1
  Al  Al103  1  0.401571  0.031320  0.546066  1
  Al  Al104  1  0.401415  0.725075  0.508932  1
  Al  Al105  1  0.399828  0.337781  0.583207  1
  Al  Al106  1  0.107564  0.991344  0.601796  1
  Al  Al107  1  0.108486  0.684526  0.564269  1
  Al  Al108  1  0.106680  0.378046  0.527514  1
  Al  Al109  1  0.605201  0.108644  0.669911  1
  Al  Al110  1  0.607373  0.802509  0.632978  1
  Al  Al111  1  0.626725  0.415069  0.704286  1
  Al  Al112  1  0.128852  0.060961  0.646068  1
  Al  Al113  1  0.132382  0.754590  0.608942  1
  Al  Al114  1  0.130529  0.367360  0.683336  1
  Al  Al115  1  0.128519  0.180003  0.660261  1
  Al  Al116  1  0.131049  0.873648  0.623308  1
  Al  Al117  1  0.122075  0.485591  0.698910  1
  Al  Al118  1  0.627350  0.038179  0.626152  1
  Al  Al119  1  0.592284  0.650923  0.700736  1
  Al  Al120  1  0.631003  0.345672  0.662588  1
  Al  Al121  1  0.371758  0.018387  0.702305  1
  Al  Al122  1  0.375327  0.713378  0.662119  1
  Al  Al123  1  0.376828  0.408110  0.627634  1
  Al  Al124  1  0.869249  0.878853  0.665850  1
  Al  Al125  1  0.875146  0.572552  0.629405  1
  Al  Al126  1  0.877335  0.185148  0.703578  1
  Al  Al127  1  0.380210  0.137872  0.715387  1
  Al  Al128  1  0.377406  0.832902  0.679135  1
  Al  Al129  1  0.377275  0.527802  0.641782  1
  Al  Al130  1  0.867428  0.999493  0.680897  1
  Al  Al131  1  0.872631  0.692337  0.643187  1
  Al  Al132  1  0.861354  0.303657  0.718164  1
  Al  Al133  1  0.629523  0.919436  0.611650  1
  Al  Al134  1  0.619722  0.533188  0.685757  1
  Al  Al135  1  0.630123  0.225664  0.648504  1
  Al  Al136  1  0.900241  0.148105  0.614462  1
  Al  Al137  1  0.866606  0.759612  0.687040  1
  Al  Al138  1  0.897245  0.456748  0.652401  1
  Al  Al139  1  0.393113  0.950325  0.657974  1
  Al  Al140  1  0.399579  0.642964  0.620041  1
  Al  Al141  1  0.398275  0.256956  0.693047  1
  Al  Al142  1  0.086709  0.909193  0.709233  1
  Al  Al143  1  0.103245  0.606811  0.673471  1
  Al  Al144  1  0.108312  0.297558  0.639257  1
  Ni  Ni145  1  0.083584  0.338040  0.352099  1
  Ni  Ni146  1  0.087141  0.031668  0.314864  1
  Ni  Ni147  1  0.060293  0.720779  0.281602  1
  Ni  Ni148  1  0.426300  0.380210  0.296216  1
  Ni  Ni149  1  0.427673  0.991648  0.370599  1
  Ni  Ni150  1  0.417092  0.684780  0.333168  1
  Ni  Ni151  1  0.925457  0.204640  0.307223  1
  Ni  Ni152  1  0.928952  0.817438  0.380906  1
  Ni  Ni153  1  0.928379  0.510525  0.343903  1
  Ni  Ni154  1  0.584796  0.164186  0.362603  1
  Ni  Ni155  1  0.597478  0.856008  0.325682  1
  Ni  Ni156  1  0.657682  0.555486  0.291801  1
  Ni  Ni157  1  0.083845  0.257767  0.463492  1
  Ni  Ni158  1  0.086469  0.951480  0.426156  1
  Ni  Ni159  1  0.080391  0.645173  0.389793  1
  Ni  Ni160  1  0.423528  0.298030  0.407588  1
  Ni  Ni161  1  0.425393  0.911174  0.482097  1
  Ni  Ni162  1  0.423502  0.604639  0.444911  1
  Ni  Ni163  1  0.925055  0.123815  0.418235  1
  Ni  Ni164  1  0.925427  0.736854  0.492684  1
  Ni  Ni165  1  0.923659  0.430064  0.455350  1
  Ni  Ni166  1  0.584852  0.083442  0.473994  1
  Ni  Ni167  1  0.585460  0.777457  0.437057  1
  Ni  Ni168  1  0.582153  0.470411  0.399747  1
  Ni  Ni169  1  0.083828  0.177112  0.575023  1
  Ni  Ni170  1  0.085223  0.870862  0.537907  1
  Ni  Ni171  1  0.083455  0.564072  0.500573  1
  Ni  Ni172  1  0.424031  0.217484  0.519263  1
  Ni  Ni173  1  0.426729  0.830515  0.593510  1
  Ni  Ni174  1  0.423422  0.523469  0.556200  1
  Ni  Ni175  1  0.925037  0.043159  0.529766  1
  Ni  Ni176  1  0.928491  0.655754  0.603465  1
  Ni  Ni177  1  0.922413  0.349446  0.567102  1
  Ni  Ni178  1  0.585354  1.002896  0.585670  1
  Ni  Ni179  1  0.585380  0.696287  0.548346  1
  Ni  Ni180  1  0.583490  0.389752  0.511160  1
  Ni  Ni181  1  0.083425  0.096286  0.686034  1
  Ni  Ni182  1  0.080504  0.790401  0.649355  1
  Ni  Ni183  1  0.079930  0.483488  0.612351  1
  Ni  Ni184  1  0.424087  0.136740  0.630654  1
  Ni  Ni185  1  0.351201  0.745440  0.701456  1
  Ni  Ni186  1  0.411404  0.444918  0.667575  1
  Ni  Ni187  1  0.925299  0.962887  0.641158  1
  Ni  Ni188  1  0.948589  0.580147  0.711656  1
  Ni  Ni189  1  0.921741  0.269259  0.678393  1
  Ni  Ni190  1  0.582582  0.920716  0.697042  1
  Ni  Ni191  1  0.591791  0.616147  0.660090  1
  Ni  Ni192  1  0.581210  0.309278  0.622658  1
