# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90683968
_cell_length_b   19.91857107
_cell_length_c   50.46004868
_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   4931.82562662
_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  0.389884  1
  Al  Al2  1  0.612309  0.700230  0.340733  1
  Al  Al3  1  0.643701  0.977123  0.297305  1
  Al  Al4  1  0.131430  0.429188  0.352587  1
  Al  Al5  1  0.150605  0.713542  0.306245  1
  Al  Al6  1  0.146304  0.146578  0.398737  1
  Al  Al7  1  0.134876  0.491831  0.411426  1
  Al  Al8  1  0.149135  0.775133  0.362737  1
  Al  Al9  1  0.158904  0.057588  0.314532  1
  Al  Al10  1  0.630952  0.455321  0.336898  1
  Al  Al11  1  0.649637  0.743656  0.286217  1
  Al  Al12  1  0.643788  0.174286  0.379772  1
  Al  Al13  1  0.375793  0.572802  0.327791  1
  Al  Al14  1  0.368087  1.004680  0.423634  1
  Al  Al15  1  0.342946  0.288297  0.374319  1
  Al  Al16  1  0.862015  0.685921  0.392526  1
  Al  Al17  1  0.884230  0.969228  0.346752  1
  Al  Al18  1  0.845040  0.257261  0.297878  1
  Al  Al19  1  0.363365  0.635603  0.387389  1
  Al  Al20  1  0.380142  0.919870  0.341956  1
  Al  Al21  1  0.336740  0.192989  0.292581  1
  Al  Al22  1  0.869214  0.598473  0.307804  1
  Al  Al23  1  0.868552  0.032316  0.404543  1
  Al  Al24  1  0.841234  0.316967  0.355035  1
  Al  Al25  1  0.637018  0.543941  0.416630  1
  Al  Al26  1  0.649211  0.826120  0.369041  1
  Al  Al27  1  0.658821  0.110988  0.321475  1
  Al  Al28  1  0.890716  0.555741  0.365137  1
  Al  Al29  1  0.896549  0.841503  0.319148  1
  Al  Al30  1  0.893503  0.270636  0.412999  1
  Al  Al31  1  0.403740  0.764950  0.414350  1
  Al  Al32  1  0.413363  0.047412  0.366392  1
  Al  Al33  1  0.363940  0.331690  0.316791  1
  Al  Al34  1  0.153145  0.469607  0.299044  1
  Al  Al35  1  0.115753  0.904721  0.391310  1
  Al  Al36  1  0.090247  0.190914  0.342255  1
  Al  Al37  1  0.605051  0.564204  0.532606  1
  Al  Al38  1  0.603817  0.846901  0.485528  1
  Al  Al39  1  0.605719  0.131670  0.436666  1
  Al  Al40  1  0.144513  0.579774  0.494693  1
  Al  Al41  1  0.148730  0.862241  0.447402  1
  Al  Al42  1  0.141116  0.296814  0.542268  1
  Al  Al43  1  0.151976  0.643640  0.554716  1
  Al  Al44  1  0.141512  0.926243  0.507136  1
  Al  Al45  1  0.141754  0.210104  0.458682  1
  Al  Al46  1  0.644159  0.607507  0.476261  1
  Al  Al47  1  0.649888  0.889571  0.429370  1
  Al  Al48  1  0.641439  0.324218  0.524029  1
  Al  Al49  1  0.359151  0.721499  0.470855  1
  Al  Al50  1  0.350702  0.156146  0.565514  1
  Al  Al51  1  0.356431  0.438209  0.518623  1
  Al  Al52  1  0.858835  0.835613  0.536203  1
  Al  Al53  1  0.859078  0.119474  0.487748  1
  Al  Al54  1  0.848614  0.402076  0.440169  1
  Al  Al55  1  0.359630  0.784411  0.531163  1
  Al  Al56  1  0.359792  0.067919  0.482616  1
  Al  Al57  1  0.348323  0.350985  0.435222  1
  Al  Al58  1  0.859474  0.748903  0.452616  1
  Al  Al59  1  0.851860  0.183475  0.547482  1
  Al  Al60  1  0.856077  0.465943  0.500191  1
  Al  Al61  1  0.652266  0.694732  0.559662  1
  Al  Al62  1  0.640798  0.977797  0.512269  1
  Al  Al63  1  0.640959  0.261305  0.463721  1
  Al  Al64  1  0.902655  0.705333  0.508954  1
  Al  Al65  1  0.902784  0.989109  0.461222  1
  Al  Al66  1  0.896929  0.423246  0.556584  1
  Al  Al67  1  0.394870  0.914046  0.558219  1
  Al  Al68  1  0.396773  0.198815  0.509356  1
  Al  Al69  1  0.395539  0.481512  0.462278  1
  Al  Al70  1  0.103661  0.622471  0.438300  1
  Al  Al71  1  0.097806  0.056607  0.533662  1
  Al  Al72  1  0.097934  0.340384  0.485930  1
  Al  Al73  1  0.636650  0.714027  0.678093  1
  Al  Al74  1  0.587227  0.998305  0.628493  1
  Al  Al75  1  0.596850  0.280766  0.580534  1
  Al  Al76  1  0.159356  0.728749  0.639849  1
  Al  Al77  1  0.132038  0.013400  0.590341  1
  Al  Al78  1  0.131376  0.447243  0.687081  1
  Al  Al79  1  0.155549  0.788455  0.697006  1
  Al  Al80  1  0.116360  0.076489  0.648133  1
  Al  Al81  1  0.138574  0.359795  0.602358  1
  Al  Al82  1  0.657644  0.757419  0.620565  1
  Al  Al83  1  0.632502  0.041036  0.571250  1
  Al  Al84  1  0.624796  0.472914  0.667093  1
  Al  Al85  1  0.356802  0.871430  0.615112  1
  Al  Al86  1  0.350953  0.302060  0.708668  1
  Al  Al87  1  0.369638  0.590396  0.657987  1
  Al  Al88  1  0.841686  0.988128  0.680353  1
  Al  Al89  1  0.851455  0.270584  0.632147  1
  Al  Al90  1  0.865714  0.553885  0.583459  1
  Al  Al91  1  0.341768  0.934729  0.673410  1
  Al  Al92  1  0.351379  0.219597  0.625843  1
  Al  Al93  1  0.363571  0.501775  0.578254  1
  Al  Al94  1  0.854286  0.899138  0.596147  1
  Al  Al95  1  0.849985  0.332174  0.688639  1
  Al  Al96  1  0.869160  0.616528  0.642298  1
  Al  Al97  1  0.663850  0.852727  0.702303  1
  Al  Al98  1  0.620448  0.125846  0.652928  1
  Al  Al99  1  0.637225  0.410113  0.607495  1
  Al  Al100  1  0.910343  0.854802  0.652629  1
  Al  Al101  1  0.884837  0.140995  0.603574  1
  Al  Al102  1  0.847445  0.576110  0.695841  1
  Al  Al103  1  0.356889  0.068594  0.697579  1
  Al  Al104  1  0.388281  0.345486  0.654151  1
  Al  Al105  1  0.414764  0.633169  0.605000  1
  Al  Al106  1  0.107087  0.775080  0.581885  1
  Al  Al107  1  0.104041  0.204214  0.675736  1
  Al  Al108  1  0.109874  0.489975  0.629748  1
  Ni  Ni109  1  0.090549  0.658257  0.348431  1
  Ni  Ni110  1  0.140978  0.936441  0.300769  1
  Ni  Ni111  1  0.070514  0.375934  0.395577  1
  Ni  Ni112  1  0.403579  0.520658  0.372237  1
  Ni  Ni113  1  0.408009  0.810719  0.322160  1
  Ni  Ni114  1  0.410249  0.236753  0.418604  1
  Ni  Ni115  1  0.872938  0.374648  0.311149  1
  Ni  Ni116  1  0.920044  0.800392  0.408575  1
  Ni  Ni117  1  0.930868  0.084502  0.360622  1
  Ni  Ni118  1  0.649429  0.491296  0.291960  1
  Ni  Ni119  1  0.600846  0.941551  0.385775  1
  Ni  Ni120  1  0.569930  0.226236  0.336419  1
  Ni  Ni121  1  0.088806  0.810932  0.491340  1
  Ni  Ni122  1  0.090517  0.094849  0.442858  1
  Ni  Ni123  1  0.089616  0.528473  0.538670  1
  Ni  Ni124  1  0.417777  0.669750  0.514807  1
  Ni  Ni125  1  0.417680  0.952233  0.467526  1
  Ni  Ni126  1  0.411739  0.386356  0.562569  1
  Ni  Ni127  1  0.910974  0.517243  0.456215  1
  Ni  Ni128  1  0.910073  0.950868  0.552026  1
  Ni  Ni129  1  0.911784  0.234785  0.503545  1
  Ni  Ni130  1  0.588851  0.659360  0.432316  1
  Ni  Ni131  1  0.582910  0.093483  0.527358  1
  Ni  Ni132  1  0.582813  0.375966  0.480078  1
  Ni  Ni133  1  0.069722  0.961214  0.634262  1
  Ni  Ni134  1  0.080546  0.245325  0.586309  1
  Ni  Ni135  1  0.127652  0.671068  0.683736  1
  Ni  Ni136  1  0.430660  0.819480  0.658465  1
  Ni  Ni137  1  0.399744  0.104165  0.609109  1
  Ni  Ni138  1  0.351161  0.554420  0.702925  1
  Ni  Ni139  1  0.930075  0.669782  0.599307  1
  Ni  Ni140  1  0.859612  0.109276  0.694115  1
  Ni  Ni141  1  0.910040  0.387460  0.646454  1
  Ni  Ni142  1  0.590341  0.808963  0.576281  1
  Ni  Ni143  1  0.592580  0.234997  0.672724  1
  Ni  Ni144  1  0.597010  0.525058  0.622648  1
