# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09824626
_cell_length_b   21.44992788
_cell_length_c   50.21507005
_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   6568.47978108
_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  0.013640  0.948579  0.302849  1
  Al  Al2  1  0.981972  0.367844  0.340407  1
  Al  Al3  1  0.221179  0.134774  0.285530  1
  Al  Al4  1  0.224796  0.507728  0.319658  1
  Al  Al5  1  0.186436  0.822615  0.309492  1
  Al  Al6  1  0.184728  0.246670  0.339668  1
  Al  Al7  1  0.328000  0.036865  0.325487  1
  Al  Al8  1  0.343034  0.615182  0.295724  1
  Al  Al9  1  0.688428  0.966596  0.341732  1
  Al  Al10  1  0.719807  0.541646  0.304573  1
  Al  Al11  1  0.775100  0.330871  0.288999  1
  Al  Al12  1  0.820654  0.759270  0.326067  1
  Al  Al13  1  0.683578  0.857955  0.296056  1
  Al  Al14  1  0.648685  0.279610  0.335486  1
  Al  Al15  1  0.834456  0.068809  0.312574  1
  Al  Al16  1  0.858702  0.489233  0.351287  1
  Al  Al17  1  0.262717  0.345557  0.300238  1
  Al  Al18  1  0.341386  0.719420  0.337822  1
  Al  Al19  1  0.512979  0.839670  0.350701  1
  Al  Al20  1  0.574230  0.419610  0.322556  1
  Al  Al21  1  0.868996  0.203526  0.301665  1
  Al  Al22  1  0.012080  0.622422  0.335020  1
  Al  Al23  1  0.508770  0.155237  0.325263  1
  Al  Al24  1  0.494105  0.737032  0.286435  1
  Al  Al25  1  0.032670  0.791711  0.372411  1
  Al  Al26  1  0.018902  0.212147  0.409672  1
  Al  Al27  1  0.191446  0.935163  0.356305  1
  Al  Al28  1  0.178679  0.354059  0.393769  1
  Al  Al29  1  0.203301  0.664855  0.382794  1
  Al  Al30  1  0.192010  0.084997  0.418477  1
  Al  Al31  1  0.332806  0.874829  0.400339  1
  Al  Al32  1  0.317491  0.453441  0.366619  1
  Al  Al33  1  0.696541  0.807728  0.412881  1
  Al  Al34  1  0.675102  0.386290  0.377809  1
  Al  Al35  1  0.834266  0.177223  0.360897  1
  Al  Al36  1  0.842839  0.596297  0.394426  1
  Al  Al37  1  0.697652  0.695725  0.368298  1
  Al  Al38  1  0.686960  0.117214  0.403989  1
  Al  Al39  1  0.829505  0.907680  0.385682  1
  Al  Al40  1  0.819467  0.328563  0.421795  1
  Al  Al41  1  0.323572  0.145775  0.374392  1
  Al  Al42  1  0.333034  0.564935  0.411100  1
  Al  Al43  1  0.531461  0.680450  0.423046  1
  Al  Al44  1  0.506042  0.260503  0.386589  1
  Al  Al45  1  1.004962  0.049483  0.368417  1
  Al  Al46  1  0.994930  0.470759  0.405832  1
  Al  Al47  1  0.498744  0.000883  0.391016  1
  Al  Al48  1  0.516521  0.580847  0.352726  1
  Al  Al49  1  0.024670  0.633842  0.444745  1
  Al  Al50  1  0.021698  0.054164  0.480514  1
  Al  Al51  1  0.199022  0.774919  0.427886  1
  Al  Al52  1  0.191889  0.195420  0.464023  1
  Al  Al53  1  0.190404  0.506360  0.455038  1
  Al  Al54  1  0.191351  0.927307  0.490487  1
  Al  Al55  1  0.331707  0.717001  0.472475  1
  Al  Al56  1  0.329456  0.295750  0.436943  1
  Al  Al57  1  0.694164  0.650736  0.484793  1
  Al  Al58  1  0.688782  0.228369  0.449202  1
  Al  Al59  1  0.830891  0.018098  0.430993  1
  Al  Al60  1  0.825048  0.440115  0.466953  1
  Al  Al61  1  0.696124  0.540367  0.439230  1
  Al  Al62  1  0.691523  0.960434  0.475355  1
  Al  Al63  1  0.833796  0.750307  0.457266  1
  Al  Al64  1  0.829711  0.170737  0.493325  1
  Al  Al65  1  0.329156  0.985061  0.446014  1
  Al  Al66  1  0.329530  0.406355  0.481984  1
  Al  Al67  1  0.522481  0.523185  0.494763  1
  Al  Al68  1  0.521236  0.101378  0.459002  1
  Al  Al69  1  1.001230  0.890987  0.440828  1
  Al  Al70  1  0.997226  0.311879  0.477127  1
  Al  Al71  1  0.501550  0.843984  0.462454  1
  Al  Al72  1  0.492998  0.424147  0.426586  1
  Al  Al73  1  0.025274  0.476072  0.516057  1
  Al  Al74  1  0.021269  0.896964  0.552356  1
  Al  Al75  1  0.192789  0.617214  0.499859  1
  Al  Al76  1  0.188704  0.037644  0.535918  1
  Al  Al77  1  0.197452  0.347836  0.526231  1
  Al  Al78  1  0.191609  0.769854  0.562191  1
  Al  Al79  1  0.333718  0.559582  0.543982  1
  Al  Al80  1  0.328335  0.137216  0.508391  1
  Al  Al81  1  0.693043  0.492202  0.556241  1
  Al  Al82  1  0.690792  0.070951  0.520709  1
  Al  Al83  1  0.831149  0.860645  0.502697  1
  Al  Al84  1  0.832096  0.281591  0.538146  1
  Al  Al85  1  0.692970  0.381596  0.511200  1
  Al  Al86  1  0.693343  0.802891  0.547170  1
  Al  Al87  1  0.830611  0.592531  0.529161  1
  Al  Al88  1  0.823478  0.013033  0.565298  1
  Al  Al89  1  0.330977  0.827518  0.517829  1
  Al  Al90  1  0.326376  0.247584  0.553954  1
  Al  Al91  1  0.529502  0.363804  0.566598  1
  Al  Al92  1  0.520950  0.943967  0.530730  1
  Al  Al93  1  1.000802  0.733787  0.512670  1
  Al  Al94  1  0.997830  0.154109  0.548439  1
  Al  Al95  1  0.501264  0.686574  0.534182  1
  Al  Al96  1  0.500019  0.264766  0.498421  1
  Al  Al97  1  0.027570  0.317192  0.587352  1
  Al  Al98  1  0.017538  0.738468  0.624767  1
  Al  Al99  1  0.203032  0.459388  0.571389  1
  Al  Al100  1  0.192995  0.880272  0.607502  1
  Al  Al101  1  0.179661  0.191654  0.598758  1
  Al  Al102  1  0.188234  0.610728  0.632287  1
  Al  Al103  1  0.347398  0.401661  0.615375  1
  Al  Al104  1  0.325959  0.980223  0.580303  1
  Al  Al105  1  0.705009  0.334510  0.626565  1
  Al  Al106  1  0.689694  0.913123  0.592845  1
  Al  Al107  1  0.830490  0.702954  0.574707  1
  Al  Al108  1  0.819199  0.123096  0.610390  1
  Al  Al109  1  0.689466  0.223017  0.582084  1
  Al  Al110  1  0.698927  0.642176  0.618792  1
  Al  Al111  1  0.843821  0.433892  0.599415  1
  Al  Al112  1  0.831054  0.852788  0.636879  1
  Al  Al113  1  0.335540  0.670738  0.589195  1
  Al  Al114  1  0.324848  0.092226  0.624886  1
  Al  Al115  1  0.505979  0.207104  0.640458  1
  Al  Al116  1  0.523756  0.787068  0.602168  1
  Al  Al117  1  1.003598  0.575804  0.583512  1
  Al  Al118  1  0.989830  0.996240  0.620773  1
  Al  Al119  1  0.516457  0.527448  0.606595  1
  Al  Al120  1  0.491039  0.107501  0.570138  1
  Al  Al121  1  1.010420  0.165530  0.658164  1
  Al  Al122  1  0.153504  0.584425  0.691519  1
  Al  Al123  1  0.163798  0.298718  0.641897  1
  Al  Al124  1  0.188044  0.719142  0.680610  1
  Al  Al125  1  0.201846  0.028681  0.667117  1
  Al  Al126  1  0.247400  0.457080  0.704185  1
  Al  Al127  1  0.302693  0.246305  0.688611  1
  Al  Al128  1  0.334072  0.821355  0.651452  1
  Al  Al129  1  0.679465  0.172769  0.697460  1
  Al  Al130  1  0.694500  0.751086  0.667697  1
  Al  Al131  1  0.837772  0.541281  0.653516  1
  Al  Al132  1  0.836063  0.965336  0.683692  1
  Al  Al133  1  0.681113  0.068532  0.655362  1
  Al  Al134  1  0.759783  0.442394  0.692946  1
  Al  Al135  1  0.797704  0.280223  0.673526  1
  Al  Al136  1  0.801320  0.653178  0.707654  1
  Al  Al137  1  0.373815  0.508342  0.657698  1
  Al  Al138  1  0.338922  0.929996  0.697128  1
  Al  Al139  1  0.528395  0.050920  0.706749  1
  Al  Al140  1  0.513730  0.632714  0.667921  1
  Al  Al141  1  0.040528  0.420107  0.652777  1
  Al  Al142  1  1.008860  0.839372  0.690335  1
  Al  Al143  1  0.448269  0.368341  0.670628  1
  Al  Al144  1  0.509521  0.948281  0.642483  1
  Ni  Ni145  1  0.897066  0.868533  0.338659  1
  Ni  Ni146  1  0.940951  0.437971  0.302117  1
  Ni  Ni147  1  0.393090  0.922269  0.314827  1
  Ni  Ni148  1  0.359668  0.344842  0.351257  1
  Ni  Ni149  1  0.114070  0.133239  0.333128  1
  Ni  Ni150  1  0.085425  0.705064  0.298807  1
  Ni  Ni151  1  0.446606  0.241766  0.295028  1
  Ni  Ni152  1  0.665327  0.657811  0.318688  1
  Ni  Ni153  1  0.905978  0.709950  0.409629  1
  Ni  Ni154  1  0.899014  0.286671  0.374651  1
  Ni  Ni155  1  0.405567  0.762307  0.385668  1
  Ni  Ni156  1  0.395657  0.183510  0.421869  1
  Ni  Ni157  1  0.123421  0.972890  0.403831  1
  Ni  Ni158  1  0.152785  0.552523  0.368957  1
  Ni  Ni159  1  0.625097  0.075970  0.357035  1
  Ni  Ni160  1  0.620561  0.500697  0.391313  1
  Ni  Ni161  1  0.896501  0.552589  0.481594  1
  Ni  Ni162  1  0.896851  0.130415  0.445732  1
  Ni  Ni163  1  0.400245  0.604490  0.458030  1
  Ni  Ni164  1  0.396461  0.024980  0.493846  1
  Ni  Ni165  1  0.126743  0.815011  0.475726  1
  Ni  Ni166  1  0.118432  0.393190  0.440621  1
  Ni  Ni167  1  0.625278  0.920195  0.427744  1
  Ni  Ni168  1  0.622927  0.341621  0.463775  1
  Ni  Ni169  1  0.904068  0.394761  0.552563  1
  Ni  Ni170  1  0.895756  0.972940  0.517458  1
  Ni  Ni171  1  0.399573  0.446330  0.529409  1
  Ni  Ni172  1  0.397222  0.867756  0.565440  1
  Ni  Ni173  1  0.125649  0.657536  0.547452  1
  Ni  Ni174  1  0.125999  0.235363  0.511590  1
  Ni  Ni175  1  0.626038  0.762971  0.499338  1
  Ni  Ni176  1  0.622254  0.183462  0.535154  1
  Ni  Ni177  1  0.869715  0.235428  0.624227  1
  Ni  Ni178  1  0.899079  0.815062  0.589353  1
  Ni  Ni179  1  0.401939  0.287254  0.601871  1
  Ni  Ni180  1  0.397403  0.711981  0.636149  1
  Ni  Ni181  1  0.123486  0.501280  0.618533  1
  Ni  Ni182  1  0.116522  0.078001  0.583555  1
  Ni  Ni183  1  0.626843  0.604442  0.571315  1
  Ni  Ni184  1  0.616933  0.025644  0.607516  1
  Ni  Ni185  1  0.937075  0.082888  0.694377  1
  Ni  Ni186  1  0.908430  0.654712  0.660056  1
  Ni  Ni187  1  0.357173  0.130140  0.674496  1
  Ni  Ni188  1  0.575893  0.546185  0.698156  1
  Ni  Ni189  1  0.081549  0.349980  0.691067  1
  Ni  Ni190  1  0.125434  0.919418  0.654525  1
  Ni  Ni191  1  0.662832  0.443109  0.641927  1
  Ni  Ni192  1  0.629410  0.865682  0.678357  1
