# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37946857
_cell_length_b   18.75792812
_cell_length_c   50.24790883
_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   7898.04012698
_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  0.755192  0.879743  0.296523  1
  Al  Al2  1  0.755192  0.463983  0.316751  1
  Al  Al3  1  0.755192  0.095170  0.348227  1
  Al  Al4  1  0.516285  0.543045  0.366821  1
  Al  Al5  1  0.514834  0.294741  0.308288  1
  Al  Al6  1  0.510576  0.919132  0.339323  1
  Al  Al7  1  0.994098  0.543045  0.366821  1
  Al  Al8  1  0.995549  0.294741  0.308288  1
  Al  Al9  1  0.999807  0.919132  0.339323  1
  Al  Al10  1  0.520036  0.790331  0.313913  1
  Al  Al11  1  0.502674  0.413464  0.343239  1
  Al  Al12  1  0.467616  0.165408  0.291821  1
  Al  Al13  1  0.537568  0.562143  0.304780  1
  Al  Al14  1  0.506506  0.171854  0.343169  1
  Al  Al15  1  0.512061  0.795706  0.368429  1
  Al  Al16  1  0.010612  0.668045  0.342583  1
  Al  Al17  1  0.038341  0.421734  0.288081  1
  Al  Al18  1  0.057420  0.025693  0.306409  1
  Al  Al19  1  0.972815  0.562143  0.304780  1
  Al  Al20  1  1.003877  0.171854  0.343169  1
  Al  Al21  1  0.998323  0.795706  0.368429  1
  Al  Al22  1  0.499771  0.668045  0.342583  1
  Al  Al23  1  0.472042  0.421734  0.288081  1
  Al  Al24  1  0.452963  0.025693  0.306409  1
  Al  Al25  1  0.990347  0.790331  0.313913  1
  Al  Al26  1  0.007710  0.413464  0.343239  1
  Al  Al27  1  0.042767  0.165408  0.291821  1
  Al  Al28  1  0.755192  0.688309  0.309167  1
  Al  Al29  1  0.755192  0.326622  0.342634  1
  Al  Al30  1  0.755192  0.089014  0.294020  1
  Al  Al31  1  0.255192  0.498273  0.345530  1
  Al  Al32  1  0.255192  0.122670  0.371907  1
  Al  Al33  1  0.255192  0.883626  0.309273  1
  Al  Al34  1  0.255192  0.628316  0.313588  1
  Al  Al35  1  0.255192  0.257478  0.339318  1
  Al  Al36  1  0.255192  0.879530  0.369036  1
  Al  Al37  1  0.755192  0.710311  0.371289  1
  Al  Al38  1  0.755192  0.333878  0.400142  1
  Al  Al39  1  0.755192  0.955335  0.428538  1
  Al  Al40  1  0.512188  0.412683  0.451539  1
  Al  Al41  1  0.514694  0.166048  0.397037  1
  Al  Al42  1  0.513317  0.788219  0.423449  1
  Al  Al43  1  0.998196  0.412683  0.451539  1
  Al  Al44  1  0.995689  0.166048  0.397037  1
  Al  Al45  1  0.997066  0.788219  0.423449  1
  Al  Al46  1  0.498422  0.659933  0.398160  1
  Al  Al47  1  0.497903  0.284670  0.427294  1
  Al  Al48  1  0.499521  0.037275  0.369425  1
  Al  Al49  1  0.512572  0.420565  0.396644  1
  Al  Al50  1  0.510117  0.041365  0.424359  1
  Al  Al51  1  0.513318  0.666084  0.452150  1
  Al  Al52  1  0.010604  0.538468  0.427954  1
  Al  Al53  1  0.016842  0.291483  0.372267  1
  Al  Al54  1  0.014842  0.913827  0.399777  1
  Al  Al55  1  0.997811  0.420565  0.396644  1
  Al  Al56  1  1.000266  0.041365  0.424359  1
  Al  Al57  1  0.997065  0.666084  0.452150  1
  Al  Al58  1  0.499779  0.538468  0.427954  1
  Al  Al59  1  0.493541  0.291483  0.372267  1
  Al  Al60  1  0.495541  0.913827  0.399777  1
  Al  Al61  1  0.011961  0.659933  0.398160  1
  Al  Al62  1  0.012481  0.284670  0.427294  1
  Al  Al63  1  0.010862  0.037275  0.369425  1
  Al  Al64  1  0.755192  0.574700  0.397992  1
  Al  Al65  1  0.755192  0.199340  0.427322  1
  Al  Al66  1  0.755192  0.953882  0.373232  1
  Al  Al67  1  0.255192  0.370631  0.423220  1
  Al  Al68  1  0.255192  0.991974  0.451153  1
  Al  Al69  1  0.255192  0.745796  0.396315  1
  Al  Al70  1  0.255192  0.507724  0.398680  1
  Al  Al71  1  0.255192  0.128146  0.426481  1
  Al  Al72  1  0.255192  0.751244  0.453146  1
  Al  Al73  1  0.755192  0.579156  0.456050  1
  Al  Al74  1  0.755192  0.201985  0.484237  1
  Al  Al75  1  0.755192  0.824172  0.511855  1
  Al  Al76  1  0.511374  0.280739  0.534841  1
  Al  Al77  1  0.512773  0.034023  0.479387  1
  Al  Al78  1  0.512386  0.657922  0.507290  1
  Al  Al79  1  0.999009  0.280739  0.534841  1
  Al  Al80  1  0.997610  0.034023  0.479387  1
  Al  Al81  1  0.997997  0.657922  0.507290  1
  Al  Al82  1  0.497871  0.529976  0.482790  1
  Al  Al83  1  0.497420  0.151705  0.510652  1
  Al  Al84  1  0.497901  0.905638  0.454854  1
  Al  Al85  1  0.512963  0.289317  0.480329  1
  Al  Al86  1  0.512512  0.911046  0.508191  1
  Al  Al87  1  0.512482  0.535384  0.536127  1
  Al  Al88  1  0.012773  0.406999  0.511594  1
  Al  Al89  1  0.011374  0.160283  0.456139  1
  Al  Al90  1  0.012386  0.783100  0.483691  1
  Al  Al91  1  0.997420  0.289317  0.480329  1
  Al  Al92  1  0.997871  0.911046  0.508191  1
  Al  Al93  1  0.997901  0.535384  0.536127  1
  Al  Al94  1  0.497610  0.406999  0.511594  1
  Al  Al95  1  0.499009  0.160283  0.456139  1
  Al  Al96  1  0.497997  0.783100  0.483691  1
  Al  Al97  1  0.012512  0.529976  0.482790  1
  Al  Al98  1  0.012963  0.151705  0.510652  1
  Al  Al99  1  0.012482  0.905638  0.454854  1
  Al  Al100  1  0.755192  0.444036  0.482212  1
  Al  Al101  1  0.755192  0.066047  0.510078  1
  Al  Al102  1  0.755192  0.819703  0.454124  1
  Al  Al103  1  0.255192  0.239037  0.506743  1
  Al  Al104  1  0.255192  0.861866  0.534931  1
  Al  Al105  1  0.255192  0.616850  0.479125  1
  Al  Al106  1  0.255192  0.374975  0.480903  1
  Al  Al107  1  0.255192  0.996986  0.508768  1
  Al  Al108  1  0.255192  0.621319  0.536857  1
  Al  Al109  1  0.755192  0.449048  0.539828  1
  Al  Al110  1  0.755192  0.070391  0.567761  1
  Al  Al111  1  0.755192  0.695226  0.594665  1
  Al  Al112  1  0.516842  0.149539  0.618714  1
  Al  Al113  1  0.510604  0.902554  0.563026  1
  Al  Al114  1  0.514842  0.527195  0.591203  1
  Al  Al115  1  0.993541  0.149539  0.618714  1
  Al  Al116  1  0.999779  0.902554  0.563026  1
  Al  Al117  1  0.995541  0.527195  0.591203  1
  Al  Al118  1  0.500266  0.399657  0.566622  1
  Al  Al119  1  0.497811  0.020457  0.594337  1
  Al  Al120  1  0.497065  0.774938  0.538831  1
  Al  Al121  1  0.512481  0.156352  0.563687  1
  Al  Al122  1  0.511961  0.781089  0.592820  1
  Al  Al123  1  0.510862  0.403747  0.621556  1
  Al  Al124  1  0.014694  0.274974  0.593944  1
  Al  Al125  1  0.012188  0.028339  0.539442  1
  Al  Al126  1  0.013317  0.652803  0.567531  1
  Al  Al127  1  0.997903  0.156352  0.563687  1
  Al  Al128  1  0.998422  0.781089  0.592820  1
  Al  Al129  1  0.999521  0.403747  0.621556  1
  Al  Al130  1  0.495689  0.274974  0.593944  1
  Al  Al131  1  0.498196  0.028339  0.539442  1
  Al  Al132  1  0.497066  0.652803  0.567531  1
  Al  Al133  1  0.010117  0.399657  0.566622  1
  Al  Al134  1  0.012572  0.020457  0.594337  1
  Al  Al135  1  0.013318  0.774938  0.538831  1
  Al  Al136  1  0.755192  0.312876  0.564500  1
  Al  Al137  1  0.755192  0.933298  0.592301  1
  Al  Al138  1  0.755192  0.689778  0.537834  1
  Al  Al139  1  0.255192  0.107144  0.590839  1
  Al  Al140  1  0.255192  0.730711  0.619691  1
  Al  Al141  1  0.255192  0.485687  0.562442  1
  Al  Al142  1  0.255192  0.241682  0.563659  1
  Al  Al143  1  0.255192  0.866322  0.592988  1
  Al  Al144  1  0.255192  0.487140  0.617749  1
  Al  Al145  1  0.755192  0.318352  0.619073  1
  Al  Al146  1  0.755192  0.942749  0.645450  1
  Al  Al147  1  0.755192  0.557396  0.681708  1
  Al  Al148  1  0.538341  0.019288  0.702900  1
  Al  Al149  1  0.510612  0.772977  0.648398  1
  Al  Al150  1  0.557420  0.415329  0.684572  1
  Al  Al151  1  0.972042  0.019288  0.702900  1
  Al  Al152  1  0.999771  0.772977  0.648398  1
  Al  Al153  1  0.952963  0.415329  0.684572  1
  Al  Al154  1  0.503877  0.269168  0.647811  1
  Al  Al155  1  0.472815  0.878879  0.686201  1
  Al  Al156  1  0.498323  0.645316  0.622552  1
  Al  Al157  1  0.507710  0.027558  0.647741  1
  Al  Al158  1  0.490347  0.650691  0.677067  1
  Al  Al159  1  0.542767  0.275614  0.699160  1
  Al  Al160  1  0.014834  0.146281  0.682692  1
  Al  Al161  1  0.016285  0.897977  0.624160  1
  Al  Al162  1  0.010576  0.521890  0.651658  1
  Al  Al163  1  1.002674  0.027558  0.647741  1
  Al  Al164  1  0.020036  0.650691  0.677067  1
  Al  Al165  1  0.967616  0.275614  0.699160  1
  Al  Al166  1  0.495549  0.146281  0.682692  1
  Al  Al167  1  0.494098  0.897977  0.624160  1
  Al  Al168  1  0.499807  0.521890  0.651658  1
  Al  Al169  1  0.006506  0.269168  0.647811  1
  Al  Al170  1  0.037568  0.878879  0.686201  1
  Al  Al171  1  0.012061  0.645316  0.622552  1
  Al  Al172  1  0.755192  0.183544  0.651662  1
  Al  Al173  1  0.755192  0.812706  0.677393  1
  Al  Al174  1  0.755192  0.561492  0.621944  1
  Al  Al175  1  0.255192  0.977039  0.674230  1
  Al  Al176  1  0.255192  0.561279  0.694458  1
  Al  Al177  1  0.255192  0.345852  0.642754  1
  Al  Al178  1  0.255192  0.114400  0.648346  1
  Al  Al179  1  0.255192  0.752713  0.681813  1
  Al  Al180  1  0.255192  0.352008  0.696961  1
  Ni  Ni181  1  0.755192  0.584709  0.342324  1
  Ni  Ni182  1  0.755192  0.214077  0.371759  1
  Ni  Ni183  1  0.755192  0.982852  0.324400  1
  Ni  Ni184  1  0.755192  0.458373  0.369200  1
  Ni  Ni185  1  0.755192  0.207843  0.318467  1
  Ni  Ni186  1  0.755192  0.840508  0.344361  1
  Ni  Ni187  1  0.255192  0.752298  0.298886  1
  Ni  Ni188  1  0.255192  0.379044  0.318623  1
  Ni  Ni189  1  0.255192  1.000046  0.344149  1
  Ni  Ni190  1  0.255192  0.749279  0.345776  1
  Ni  Ni191  1  0.255192  0.501623  0.298290  1
  Ni  Ni192  1  0.255192  0.119764  0.322597  1
  Ni  Ni193  1  0.755192  0.454907  0.425443  1
  Ni  Ni194  1  0.755192  0.076724  0.453269  1
  Ni  Ni195  1  0.755192  0.830820  0.397385  1
  Ni  Ni196  1  0.755192  0.328638  0.453305  1
  Ni  Ni197  1  0.755192  0.081490  0.399259  1
  Ni  Ni198  1  0.755192  0.703988  0.424756  1
  Ni  Ni199  1  0.255192  0.625248  0.369243  1
  Ni  Ni200  1  0.255192  0.247834  0.398847  1
  Ni  Ni201  1  0.255192  0.870719  0.425906  1
  Ni  Ni202  1  0.255192  0.623256  0.426002  1
  Ni  Ni203  1  0.255192  0.373907  0.370608  1
  Ni  Ni204  1  0.255192  0.998036  0.397380  1
  Ni  Ni205  1  0.755192  0.323791  0.509151  1
  Ni  Ni206  1  0.755192  0.945216  0.537074  1
  Ni  Ni207  1  0.755192  0.700103  0.481229  1
  Ni  Ni208  1  0.755192  0.196216  0.536856  1
  Ni  Ni209  1  0.755192  0.949779  0.481358  1
  Ni  Ni210  1  0.755192  0.573832  0.509138  1
  Ni  Ni211  1  0.255192  0.495806  0.453907  1
  Ni  Ni212  1  0.255192  0.117231  0.481830  1
  Ni  Ni213  1  0.255192  0.740919  0.509751  1
  Ni  Ni214  1  0.255192  0.491243  0.509623  1
  Ni  Ni215  1  0.255192  0.244806  0.454124  1
  Ni  Ni216  1  0.255192  0.867190  0.481843  1
  Ni  Ni217  1  0.755192  0.193188  0.592133  1
  Ni  Ni218  1  0.755192  0.815774  0.621737  1
  Ni  Ni219  1  0.755192  0.570303  0.565074  1
  Ni  Ni220  1  0.755192  0.067115  0.620373  1
  Ni  Ni221  1  0.755192  0.817766  0.564978  1
  Ni  Ni222  1  0.755192  0.442986  0.593600  1
  Ni  Ni223  1  0.255192  0.364298  0.537712  1
  Ni  Ni224  1  0.255192  0.986115  0.565538  1
  Ni  Ni225  1  0.255192  0.610202  0.593596  1
  Ni  Ni226  1  0.255192  0.359532  0.591721  1
  Ni  Ni227  1  0.255192  0.112384  0.537675  1
  Ni  Ni228  1  0.255192  0.737034  0.566225  1
  Ni  Ni229  1  0.755192  0.061978  0.672358  1
  Ni  Ni230  1  0.755192  0.688724  0.692095  1
  Ni  Ni231  1  0.755192  0.440976  0.646832  1
  Ni  Ni232  1  0.755192  0.939399  0.692690  1
  Ni  Ni233  1  0.755192  0.691743  0.645204  1
  Ni  Ni234  1  0.755192  0.321258  0.668384  1
  Ni  Ni235  1  0.255192  0.226945  0.619222  1
  Ni  Ni236  1  0.255192  0.856313  0.648656  1
  Ni  Ni237  1  0.255192  0.458170  0.666580  1
  Ni  Ni238  1  0.255192  0.233179  0.672514  1
  Ni  Ni239  1  0.255192  0.982649  0.621780  1
  Ni  Ni240  1  0.255192  0.600514  0.646620  1
