# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90683548
_cell_length_b   19.91860516
_cell_length_c   50.45982107
_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   4931.80760288
_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  0.389886  1
  Al  Al2  1  0.612310  0.700230  0.340735  1
  Al  Al3  1  0.643701  0.977123  0.297307  1
  Al  Al4  1  0.131431  0.429188  0.352589  1
  Al  Al5  1  0.150605  0.713542  0.306247  1
  Al  Al6  1  0.146303  0.146577  0.398739  1
  Al  Al7  1  0.134876  0.491831  0.411427  1
  Al  Al8  1  0.149135  0.775132  0.362739  1
  Al  Al9  1  0.158904  0.057588  0.314533  1
  Al  Al10  1  0.630952  0.455320  0.336899  1
  Al  Al11  1  0.649637  0.743656  0.286218  1
  Al  Al12  1  0.643788  0.174286  0.379774  1
  Al  Al13  1  0.375795  0.572802  0.327793  1
  Al  Al14  1  0.368088  1.004680  0.423636  1
  Al  Al15  1  0.342946  0.288297  0.374321  1
  Al  Al16  1  0.862016  0.685921  0.392528  1
  Al  Al17  1  0.884231  0.969228  0.346753  1
  Al  Al18  1  0.845041  0.257261  0.297880  1
  Al  Al19  1  0.363366  0.635602  0.387391  1
  Al  Al20  1  0.380143  0.919870  0.341958  1
  Al  Al21  1  0.336741  0.192989  0.292582  1
  Al  Al22  1  0.869215  0.598473  0.307805  1
  Al  Al23  1  0.868553  0.032316  0.404545  1
  Al  Al24  1  0.841235  0.316967  0.355036  1
  Al  Al25  1  0.637019  0.543941  0.416632  1
  Al  Al26  1  0.649211  0.826120  0.369043  1
  Al  Al27  1  0.658821  0.110988  0.321476  1
  Al  Al28  1  0.890717  0.555741  0.365138  1
  Al  Al29  1  0.896550  0.841503  0.319150  1
  Al  Al30  1  0.893503  0.270635  0.413001  1
  Al  Al31  1  0.403741  0.764949  0.414352  1
  Al  Al32  1  0.413363  0.047411  0.366393  1
  Al  Al33  1  0.363940  0.331690  0.316792  1
  Al  Al34  1  0.153146  0.469606  0.299045  1
  Al  Al35  1  0.115753  0.904720  0.391312  1
  Al  Al36  1  0.090247  0.190914  0.342257  1
  Al  Al37  1  0.605051  0.564203  0.532608  1
  Al  Al38  1  0.603818  0.846900  0.485531  1
  Al  Al39  1  0.605720  0.131670  0.436668  1
  Al  Al40  1  0.144513  0.579773  0.494695  1
  Al  Al41  1  0.148730  0.862240  0.447404  1
  Al  Al42  1  0.141116  0.296813  0.542271  1
  Al  Al43  1  0.151976  0.643639  0.554718  1
  Al  Al44  1  0.141512  0.926242  0.507138  1
  Al  Al45  1  0.141754  0.210103  0.458684  1
  Al  Al46  1  0.644159  0.607507  0.476263  1
  Al  Al47  1  0.649888  0.889570  0.429372  1
  Al  Al48  1  0.641438  0.324217  0.524031  1
  Al  Al49  1  0.359152  0.721498  0.470858  1
  Al  Al50  1  0.350702  0.156145  0.565517  1
  Al  Al51  1  0.356431  0.438208  0.518625  1
  Al  Al52  1  0.858837  0.835612  0.536205  1
  Al  Al53  1  0.859078  0.119473  0.487751  1
  Al  Al54  1  0.848614  0.402076  0.440171  1
  Al  Al55  1  0.359631  0.784410  0.531165  1
  Al  Al56  1  0.359793  0.067918  0.482618  1
  Al  Al57  1  0.348324  0.350984  0.435224  1
  Al  Al58  1  0.859475  0.748902  0.452618  1
  Al  Al59  1  0.851861  0.183474  0.547485  1
  Al  Al60  1  0.856078  0.465942  0.500193  1
  Al  Al61  1  0.652266  0.694731  0.559665  1
  Al  Al62  1  0.640798  0.977797  0.512271  1
  Al  Al63  1  0.640959  0.261305  0.463723  1
  Al  Al64  1  0.902656  0.705332  0.508956  1
  Al  Al65  1  0.902785  0.989108  0.461225  1
  Al  Al66  1  0.896929  0.423245  0.556587  1
  Al  Al67  1  0.394871  0.914045  0.558221  1
  Al  Al68  1  0.396773  0.198814  0.509358  1
  Al  Al69  1  0.395539  0.481512  0.462281  1
  Al  Al70  1  0.103662  0.622470  0.438302  1
  Al  Al71  1  0.097806  0.056606  0.533664  1
  Al  Al72  1  0.097935  0.340383  0.485933  1
  Al  Al73  1  0.636650  0.714025  0.678096  1
  Al  Al74  1  0.587228  0.998304  0.628495  1
  Al  Al75  1  0.596850  0.280765  0.580537  1
  Al  Al76  1  0.159356  0.728748  0.639852  1
  Al  Al77  1  0.132038  0.013399  0.590344  1
  Al  Al78  1  0.131376  0.447242  0.687084  1
  Al  Al79  1  0.155550  0.788453  0.697009  1
  Al  Al80  1  0.116359  0.076487  0.648135  1
  Al  Al81  1  0.138574  0.359794  0.602361  1
  Al  Al82  1  0.657644  0.757418  0.620568  1
  Al  Al83  1  0.632502  0.041035  0.571253  1
  Al  Al84  1  0.624796  0.472913  0.667096  1
  Al  Al85  1  0.356803  0.871429  0.615115  1
  Al  Al86  1  0.350953  0.302059  0.708671  1
  Al  Al87  1  0.369639  0.590394  0.657989  1
  Al  Al88  1  0.841687  0.988127  0.680356  1
  Al  Al89  1  0.851456  0.270583  0.632150  1
  Al  Al90  1  0.865714  0.553884  0.583461  1
  Al  Al91  1  0.341770  0.934727  0.673413  1
  Al  Al92  1  0.351379  0.219595  0.625846  1
  Al  Al93  1  0.363572  0.501774  0.578257  1
  Al  Al94  1  0.854287  0.899137  0.596150  1
  Al  Al95  1  0.849985  0.332173  0.688642  1
  Al  Al96  1  0.869160  0.616527  0.642300  1
  Al  Al97  1  0.663850  0.852726  0.702306  1
  Al  Al98  1  0.620447  0.125845  0.652931  1
  Al  Al99  1  0.637225  0.410112  0.607498  1
  Al  Al100  1  0.910343  0.854801  0.652632  1
  Al  Al101  1  0.884838  0.140994  0.603577  1
  Al  Al102  1  0.847444  0.576108  0.695844  1
  Al  Al103  1  0.356889  0.068592  0.697582  1
  Al  Al104  1  0.388281  0.345485  0.654154  1
  Al  Al105  1  0.414764  0.633168  0.605003  1
  Al  Al106  1  0.107088  0.775079  0.581888  1
  Al  Al107  1  0.104041  0.204212  0.675739  1
  Al  Al108  1  0.109874  0.489974  0.629750  1
  Ni  Ni109  1  0.090550  0.658256  0.348432  1
  Ni  Ni110  1  0.140978  0.936441  0.300771  1
  Ni  Ni111  1  0.070515  0.375933  0.395579  1
  Ni  Ni112  1  0.403580  0.520658  0.372239  1
  Ni  Ni113  1  0.408010  0.810719  0.322162  1
  Ni  Ni114  1  0.410249  0.236753  0.418606  1
  Ni  Ni115  1  0.872939  0.374648  0.311150  1
  Ni  Ni116  1  0.920045  0.800391  0.408577  1
  Ni  Ni117  1  0.930868  0.084502  0.360624  1
  Ni  Ni118  1  0.649430  0.491296  0.291961  1
  Ni  Ni119  1  0.600847  0.941551  0.385777  1
  Ni  Ni120  1  0.569931  0.226236  0.336421  1
  Ni  Ni121  1  0.088806  0.810931  0.491342  1
  Ni  Ni122  1  0.090518  0.094848  0.442860  1
  Ni  Ni123  1  0.089616  0.528472  0.538672  1
  Ni  Ni124  1  0.417778  0.669749  0.514809  1
  Ni  Ni125  1  0.417680  0.952232  0.467528  1
  Ni  Ni126  1  0.411739  0.386355  0.562571  1
  Ni  Ni127  1  0.910975  0.517243  0.456217  1
  Ni  Ni128  1  0.910073  0.950867  0.552029  1
  Ni  Ni129  1  0.911784  0.234784  0.503547  1
  Ni  Ni130  1  0.588852  0.659360  0.432318  1
  Ni  Ni131  1  0.582910  0.093483  0.527361  1
  Ni  Ni132  1  0.582813  0.375966  0.480080  1
  Ni  Ni133  1  0.069723  0.961213  0.634265  1
  Ni  Ni134  1  0.080546  0.245323  0.586312  1
  Ni  Ni135  1  0.127652  0.671067  0.683739  1
  Ni  Ni136  1  0.430660  0.819479  0.658468  1
  Ni  Ni137  1  0.399744  0.104164  0.609112  1
  Ni  Ni138  1  0.351160  0.554418  0.702928  1
  Ni  Ni139  1  0.930076  0.669781  0.599310  1
  Ni  Ni140  1  0.859613  0.109274  0.694118  1
  Ni  Ni141  1  0.910041  0.387458  0.646456  1
  Ni  Ni142  1  0.590342  0.808962  0.576283  1
  Ni  Ni143  1  0.592580  0.234996  0.672727  1
  Ni  Ni144  1  0.597011  0.525057  0.622650  1
