# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90683999
_cell_length_b   19.91856680
_cell_length_c   50.45993626
_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   'Al108 Ni36'
_cell_volume   4931.81390142
_cell_formula_units_Z   36
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  0.585826  0.412547  0.389885  1
  Al  Al2  1  0.612309  0.700230  0.340734  1
  Al  Al3  1  0.643701  0.977123  0.297306  1
  Al  Al4  1  0.131430  0.429188  0.352588  1
  Al  Al5  1  0.150605  0.713542  0.306246  1
  Al  Al6  1  0.146304  0.146578  0.398738  1
  Al  Al7  1  0.134876  0.491832  0.411426  1
  Al  Al8  1  0.149135  0.775133  0.362738  1
  Al  Al9  1  0.158904  0.057589  0.314533  1
  Al  Al10  1  0.630952  0.455321  0.336899  1
  Al  Al11  1  0.649637  0.743656  0.286217  1
  Al  Al12  1  0.643788  0.174287  0.379773  1
  Al  Al13  1  0.375793  0.572802  0.327792  1
  Al  Al14  1  0.368087  1.004680  0.423635  1
  Al  Al15  1  0.342945  0.288297  0.374320  1
  Al  Al16  1  0.862015  0.685922  0.392527  1
  Al  Al17  1  0.884230  0.969228  0.346752  1
  Al  Al18  1  0.845040  0.257261  0.297879  1
  Al  Al19  1  0.363365  0.635603  0.387390  1
  Al  Al20  1  0.380142  0.919871  0.341957  1
  Al  Al21  1  0.336740  0.192989  0.292582  1
  Al  Al22  1  0.869214  0.598473  0.307804  1
  Al  Al23  1  0.868552  0.032316  0.404544  1
  Al  Al24  1  0.841234  0.316967  0.355036  1
  Al  Al25  1  0.637018  0.543942  0.416631  1
  Al  Al26  1  0.649211  0.826120  0.369042  1
  Al  Al27  1  0.658822  0.110988  0.321475  1
  Al  Al28  1  0.890716  0.555741  0.365137  1
  Al  Al29  1  0.896549  0.841503  0.319149  1
  Al  Al30  1  0.893503  0.270636  0.413000  1
  Al  Al31  1  0.403740  0.764950  0.414351  1
  Al  Al32  1  0.413363  0.047412  0.366393  1
  Al  Al33  1  0.363940  0.331690  0.316792  1
  Al  Al34  1  0.153145  0.469607  0.299044  1
  Al  Al35  1  0.115753  0.904721  0.391311  1
  Al  Al36  1  0.090247  0.190914  0.342256  1
  Al  Al37  1  0.605051  0.564204  0.532607  1
  Al  Al38  1  0.603817  0.846901  0.485529  1
  Al  Al39  1  0.605719  0.131670  0.436667  1
  Al  Al40  1  0.144513  0.579774  0.494694  1
  Al  Al41  1  0.148730  0.862241  0.447403  1
  Al  Al42  1  0.141116  0.296814  0.542269  1
  Al  Al43  1  0.151976  0.643640  0.554717  1
  Al  Al44  1  0.141512  0.926243  0.507137  1
  Al  Al45  1  0.141754  0.210104  0.458683  1
  Al  Al46  1  0.644159  0.607508  0.476262  1
  Al  Al47  1  0.649888  0.889571  0.429371  1
  Al  Al48  1  0.641439  0.324218  0.524030  1
  Al  Al49  1  0.359151  0.721499  0.470856  1
  Al  Al50  1  0.350702  0.156146  0.565515  1
  Al  Al51  1  0.356431  0.438209  0.518624  1
  Al  Al52  1  0.858835  0.835613  0.536204  1
  Al  Al53  1  0.859077  0.119474  0.487749  1
  Al  Al54  1  0.848614  0.402077  0.440170  1
  Al  Al55  1  0.359630  0.784411  0.531164  1
  Al  Al56  1  0.359792  0.067919  0.482617  1
  Al  Al57  1  0.348323  0.350985  0.435223  1
  Al  Al58  1  0.859474  0.748903  0.452617  1
  Al  Al59  1  0.851860  0.183476  0.547484  1
  Al  Al60  1  0.856077  0.465943  0.500192  1
  Al  Al61  1  0.652266  0.694732  0.559664  1
  Al  Al62  1  0.640798  0.977797  0.512270  1
  Al  Al63  1  0.640960  0.261306  0.463722  1
  Al  Al64  1  0.902655  0.705333  0.508955  1
  Al  Al65  1  0.902784  0.989109  0.461224  1
  Al  Al66  1  0.896929  0.423246  0.556585  1
  Al  Al67  1  0.394870  0.914046  0.558220  1
  Al  Al68  1  0.396773  0.198815  0.509357  1
  Al  Al69  1  0.395539  0.481513  0.462279  1
  Al  Al70  1  0.103661  0.622471  0.438301  1
  Al  Al71  1  0.097806  0.056608  0.533663  1
  Al  Al72  1  0.097934  0.340384  0.485931  1
  Al  Al73  1  0.636650  0.714027  0.678095  1
  Al  Al74  1  0.587227  0.998305  0.628494  1
  Al  Al75  1  0.596850  0.280767  0.580536  1
  Al  Al76  1  0.159356  0.728749  0.639851  1
  Al  Al77  1  0.132038  0.013400  0.590343  1
  Al  Al78  1  0.131376  0.447243  0.687082  1
  Al  Al79  1  0.155549  0.788455  0.697007  1
  Al  Al80  1  0.116360  0.076489  0.648134  1
  Al  Al81  1  0.138575  0.359795  0.602359  1
  Al  Al82  1  0.657644  0.757420  0.620566  1
  Al  Al83  1  0.632502  0.041036  0.571251  1
  Al  Al84  1  0.624796  0.472914  0.667095  1
  Al  Al85  1  0.356802  0.871430  0.615114  1
  Al  Al86  1  0.350953  0.302061  0.708669  1
  Al  Al87  1  0.369638  0.590396  0.657988  1
  Al  Al88  1  0.841686  0.988128  0.680354  1
  Al  Al89  1  0.851455  0.270584  0.632149  1
  Al  Al90  1  0.865714  0.553885  0.583460  1
  Al  Al91  1  0.341768  0.934729  0.673411  1
  Al  Al92  1  0.351379  0.219597  0.625845  1
  Al  Al93  1  0.363571  0.501775  0.578255  1
  Al  Al94  1  0.854286  0.899139  0.596149  1
  Al  Al95  1  0.849985  0.332174  0.688641  1
  Al  Al96  1  0.869160  0.616528  0.642299  1
  Al  Al97  1  0.663850  0.852728  0.702305  1
  Al  Al98  1  0.620448  0.125846  0.652929  1
  Al  Al99  1  0.637225  0.410114  0.607496  1
  Al  Al100  1  0.910343  0.854802  0.652631  1
  Al  Al101  1  0.884837  0.140996  0.603575  1
  Al  Al102  1  0.847445  0.576110  0.695842  1
  Al  Al103  1  0.356889  0.068594  0.697581  1
  Al  Al104  1  0.388281  0.345487  0.654153  1
  Al  Al105  1  0.414764  0.633170  0.605002  1
  Al  Al106  1  0.107087  0.775081  0.581887  1
  Al  Al107  1  0.104041  0.204214  0.675738  1
  Al  Al108  1  0.109874  0.489975  0.629749  1
  Ni  Ni109  1  0.090549  0.658257  0.348432  1
  Ni  Ni110  1  0.140978  0.936441  0.300770  1
  Ni  Ni111  1  0.070514  0.375934  0.395578  1
  Ni  Ni112  1  0.403579  0.520658  0.372238  1
  Ni  Ni113  1  0.408009  0.810719  0.322161  1
  Ni  Ni114  1  0.410249  0.236753  0.418605  1
  Ni  Ni115  1  0.872938  0.374648  0.311150  1
  Ni  Ni116  1  0.920044  0.800392  0.408576  1
  Ni  Ni117  1  0.930868  0.084502  0.360623  1
  Ni  Ni118  1  0.649429  0.491296  0.291960  1
  Ni  Ni119  1  0.600846  0.941551  0.385776  1
  Ni  Ni120  1  0.569930  0.226236  0.336420  1
  Ni  Ni121  1  0.088805  0.810932  0.491341  1
  Ni  Ni122  1  0.090517  0.094849  0.442859  1
  Ni  Ni123  1  0.089616  0.528473  0.538671  1
  Ni  Ni124  1  0.417777  0.669750  0.514808  1
  Ni  Ni125  1  0.417680  0.952233  0.467527  1
  Ni  Ni126  1  0.411739  0.386356  0.562570  1
  Ni  Ni127  1  0.910974  0.517243  0.456216  1
  Ni  Ni128  1  0.910072  0.950868  0.552027  1
  Ni  Ni129  1  0.911784  0.234785  0.503546  1
  Ni  Ni130  1  0.588851  0.659360  0.432317  1
  Ni  Ni131  1  0.582910  0.093484  0.527359  1
  Ni  Ni132  1  0.582813  0.375966  0.480079  1
  Ni  Ni133  1  0.069722  0.961214  0.634264  1
  Ni  Ni134  1  0.080546  0.245325  0.586311  1
  Ni  Ni135  1  0.127652  0.671069  0.683737  1
  Ni  Ni136  1  0.430659  0.819480  0.658466  1
  Ni  Ni137  1  0.399744  0.104165  0.609111  1
  Ni  Ni138  1  0.351161  0.554420  0.702926  1
  Ni  Ni139  1  0.930075  0.669783  0.599308  1
  Ni  Ni140  1  0.859612  0.109276  0.694116  1
  Ni  Ni141  1  0.910040  0.387460  0.646455  1
  Ni  Ni142  1  0.590341  0.808963  0.576282  1
  Ni  Ni143  1  0.592580  0.234997  0.672725  1
  Ni  Ni144  1  0.597010  0.525058  0.622649  1
