# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79219262
_cell_length_b   23.56713834
_cell_length_c   50.17572059
_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   5666.75890534
_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  0.612930  0.393859  0.315960  1
  Al  Al2  1  0.610199  0.081065  0.278099  1
  Al  Al3  1  0.601031  0.709140  0.360603  1
  Al  Al4  1  0.146617  0.340795  0.291272  1
  Al  Al5  1  0.131881  0.037339  0.251047  1
  Al  Al6  1  0.142538  0.656546  0.336809  1
  Al  Al7  1  0.146604  0.468531  0.306395  1
  Al  Al8  1  0.146537  0.154465  0.266874  1
  Al  Al9  1  0.133216  0.777478  0.351837  1
  Al  Al10  1  0.631994  0.320713  0.268886  1
  Al  Al11  1  0.629355  0.942286  0.351963  1
  Al  Al12  1  0.638170  0.642271  0.316806  1
  Al  Al13  1  0.385696  0.308299  0.350534  1
  Al  Al14  1  0.391191  0.996809  0.311896  1
  Al  Al15  1  0.622717  0.706231  0.268014  1
  Al  Al16  1  0.885066  0.163145  0.312902  1
  Al  Al17  1  0.917434  0.852644  0.272389  1
  Al  Al18  1  0.882024  0.477602  0.350890  1
  Al  Al19  1  0.387796  0.432530  0.366618  1
  Al  Al20  1  0.389873  0.122815  0.326645  1
  Al  Al21  1  0.414817  0.815963  0.286123  1
  Al  Al22  1  0.882241  0.287624  0.328328  1
  Al  Al23  1  0.893731  0.976200  0.289360  1
  Al  Al24  1  0.880360  0.596149  0.369220  1
  Al  Al25  1  0.635173  0.193012  0.255438  1
  Al  Al26  1  0.609596  0.820149  0.337567  1
  Al  Al27  1  0.632800  0.504570  0.293332  1
  Al  Al28  1  0.910941  0.424606  0.262050  1
  Al  Al29  1  0.905881  0.048306  0.339305  1
  Al  Al30  1  0.889878  0.751288  0.307605  1
  Al  Al31  1  0.417707  0.235558  0.302053  1
  Al  Al32  1  0.395636  0.930739  0.265704  1
  Al  Al33  1  0.413990  0.547505  0.341482  1
  Al  Al34  1  0.104502  0.201120  0.363529  1
  Al  Al35  1  0.122221  0.888886  0.322756  1
  Al  Al36  1  0.153944  0.643403  0.284975  1
  Al  Al37  1  0.598377  0.320047  0.442685  1
  Al  Al38  1  0.600971  0.012404  0.402722  1
  Al  Al39  1  0.602095  0.626511  0.485526  1
  Al  Al40  1  0.120702  0.271519  0.414505  1
  Al  Al41  1  0.126737  0.963446  0.374396  1
  Al  Al42  1  0.123244  0.576941  0.456959  1
  Al  Al43  1  0.118461  0.392391  0.430674  1
  Al  Al44  1  0.121864  0.085250  0.390293  1
  Al  Al45  1  0.127109  0.701790  0.474666  1
  Al  Al46  1  0.620820  0.250481  0.392421  1
  Al  Al47  1  0.622982  0.867212  0.478686  1
  Al  Al48  1  0.619618  0.556950  0.433949  1
  Al  Al49  1  0.389995  0.233176  0.478147  1
  Al  Al50  1  0.389141  0.926201  0.437872  1
  Al  Al51  1  0.384560  0.616717  0.393709  1
  Al  Al52  1  0.889509  0.090829  0.439783  1
  Al  Al53  1  0.885687  0.783602  0.399483  1
  Al  Al54  1  0.888793  0.396994  0.480403  1
  Al  Al55  1  0.388969  0.353582  0.494258  1
  Al  Al56  1  0.389516  0.047668  0.453760  1
  Al  Al57  1  0.386293  0.740533  0.412527  1
  Al  Al58  1  0.889469  0.211701  0.455654  1
  Al  Al59  1  0.889105  0.905055  0.415437  1
  Al  Al60  1  0.885732  0.518538  0.496801  1
  Al  Al61  1  0.622452  0.127403  0.376442  1
  Al  Al62  1  0.624953  0.743038  0.461332  1
  Al  Al63  1  0.617112  0.435747  0.416981  1
  Al  Al64  1  0.905755  0.358731  0.379701  1
  Al  Al65  1  0.909546  0.974888  0.466263  1
  Al  Al66  1  0.903204  0.664495  0.425107  1
  Al  Al67  1  0.410660  0.163595  0.427386  1
  Al  Al68  1  0.412665  0.857594  0.387506  1
  Al  Al69  1  0.409096  0.469148  0.468156  1
  Al  Al70  1  0.099255  0.125394  0.491116  1
  Al  Al71  1  0.102280  0.818607  0.449897  1
  Al  Al72  1  0.099204  0.508321  0.404124  1
  Al  Al73  1  0.597748  0.242585  0.570395  1
  Al  Al74  1  0.599312  0.937032  0.529626  1
  Al  Al75  1  0.595744  0.548586  0.610275  1
  Al  Al76  1  0.118940  0.194479  0.542127  1
  Al  Al77  1  0.122676  0.887642  0.500980  1
  Al  Al78  1  0.119303  0.501125  0.582344  1
  Al  Al79  1  0.118900  0.315350  0.557999  1
  Al  Al80  1  0.119616  0.009185  0.517379  1
  Al  Al81  1  0.122722  0.622577  0.598299  1
  Al  Al82  1  0.618413  0.173004  0.519635  1
  Al  Al83  1  0.623848  0.789463  0.604072  1
  Al  Al84  1  0.619267  0.479979  0.559910  1
  Al  Al85  1  0.387588  0.155699  0.605361  1
  Al  Al86  1  0.388790  0.849230  0.563833  1
  Al  Al87  1  0.385426  0.538968  0.519095  1
  Al  Al88  1  0.889948  0.013789  0.567108  1
  Al  Al89  1  0.881299  0.704390  0.523116  1
  Al  Al90  1  0.886545  0.320930  0.607489  1
  Al  Al91  1  0.385956  0.278776  0.621340  1
  Al  Al92  1  0.391297  0.970433  0.580801  1
  Al  Al93  1  0.383455  0.663142  0.536449  1
  Al  Al94  1  0.887706  0.134661  0.583276  1
  Al  Al95  1  0.885164  0.829239  0.540822  1
  Al  Al96  1  0.881672  0.442733  0.623386  1
  Al  Al97  1  0.619439  0.052598  0.503524  1
  Al  Al98  1  0.622115  0.665646  0.585254  1
  Al  Al99  1  0.618892  0.358512  0.544022  1
  Al  Al100  1  0.909153  0.280785  0.506666  1
  Al  Al101  1  0.909205  0.897858  0.593658  1
  Al  Al102  1  0.906129  0.587573  0.547884  1
  Al  Al103  1  0.410031  0.086133  0.555096  1
  Al  Al104  1  0.406313  0.779669  0.512256  1
  Al  Al105  1  0.407438  0.393776  0.595059  1
  Al  Al106  1  0.102654  0.047449  0.618080  1
  Al  Al107  1  0.105204  0.741684  0.572674  1
  Al  Al108  1  0.098862  0.431292  0.531519  1
  Al  Al109  1  0.590702  0.170621  0.695728  1
  Al  Al110  1  0.594418  0.858674  0.656299  1
  Al  Al111  1  0.612772  0.475440  0.732077  1
  Al  Al112  1  0.126168  0.118556  0.669453  1
  Al  Al113  1  0.128048  0.810031  0.628561  1
  Al  Al114  1  0.114678  0.429980  0.708422  1
  Al  Al115  1  0.123342  0.243034  0.684879  1
  Al  Al116  1  0.126384  0.928578  0.646891  1
  Al  Al117  1  0.090974  0.553536  0.725392  1
  Al  Al118  1  0.622713  0.097880  0.647247  1
  Al  Al119  1  0.385691  0.699948  0.729767  1
  Al  Al120  1  0.617217  0.409371  0.685885  1
  Al  Al121  1  0.376415  0.085467  0.728896  1
  Al  Al122  1  0.370238  0.763908  0.680975  1
  Al  Al123  1  0.379053  0.463893  0.645819  1
  Al  Al124  1  0.861804  0.937649  0.691387  1
  Al  Al125  1  0.875193  0.628702  0.645945  1
  Al  Al126  1  0.861871  0.251715  0.730907  1
  Al  Al127  1  0.373236  0.213168  0.742343  1
  Al  Al128  1  0.375608  0.901609  0.704449  1
  Al  Al129  1  0.398812  0.586030  0.660214  1
  Al  Al130  1  0.861791  0.065385  0.706510  1
  Al  Al131  1  0.865870  0.749633  0.660972  1
  Al  Al132  1  0.876527  0.368840  0.746734  1
  Al  Al133  1  0.620612  0.973649  0.631163  1
  Al  Al134  1  0.593592  0.590216  0.711658  1
  Al  Al135  1  0.618536  0.283364  0.671137  1
  Al  Al136  1  0.903906  0.205059  0.634253  1
  Al  Al137  1  0.854465  0.762777  0.712807  1
  Al  Al138  1  0.886187  0.517293  0.675026  1
  Al  Al139  1  0.395478  0.012320  0.681821  1
  Al  Al140  1  0.407378  0.697040  0.637178  1
  Al  Al141  1  0.398210  0.325115  0.719682  1
  Al  Al142  1  0.097467  0.981574  0.735731  1
  Al  Al143  1  0.118530  0.654891  0.690177  1
  Al  Al144  1  0.102527  0.357873  0.658476  1
  Ni  Ni145  1  0.086177  0.385183  0.334741  1
  Ni  Ni146  1  0.093439  0.072889  0.295734  1
  Ni  Ni147  1  0.125220  0.743719  0.265588  1
  Ni  Ni148  1  0.415026  0.418509  0.271743  1
  Ni  Ni149  1  0.421435  0.039279  0.357024  1
  Ni  Ni150  1  0.387038  0.730892  0.312709  1
  Ni  Ni151  1  0.948270  0.245913  0.283254  1
  Ni  Ni152  1  0.930099  0.867052  0.368996  1
  Ni  Ni153  1  0.955338  0.564038  0.319301  1
  Ni  Ni154  1  0.594744  0.210998  0.346592  1
  Ni  Ni155  1  0.619652  0.900018  0.306992  1
  Ni  Ni156  1  0.680507  0.599460  0.273932  1
  Ni  Ni157  1  0.084295  0.308636  0.460959  1
  Ni  Ni158  1  0.086363  1.001941  0.420672  1
  Ni  Ni159  1  0.071562  0.693528  0.381116  1
  Ni  Ni160  1  0.418514  0.347822  0.396792  1
  Ni  Ni161  1  0.423275  0.964082  0.484119  1
  Ni  Ni162  1  0.416319  0.654319  0.440679  1
  Ni  Ni163  1  0.925303  0.174341  0.409234  1
  Ni  Ni164  1  0.921707  0.790204  0.494683  1
  Ni  Ni165  1  0.923993  0.480810  0.450183  1
  Ni  Ni166  1  0.585905  0.136147  0.473088  1
  Ni  Ni167  1  0.587254  0.828940  0.432618  1
  Ni  Ni168  1  0.590283  0.519865  0.386839  1
  Ni  Ni169  1  0.083106  0.231839  0.588548  1
  Ni  Ni170  1  0.084415  0.925370  0.547598  1
  Ni  Ni171  1  0.086701  0.615976  0.503098  1
  Ni  Ni172  1  0.422503  0.270033  0.524693  1
  Ni  Ni173  1  0.418125  0.886315  0.610942  1
  Ni  Ni174  1  0.421154  0.577240  0.565164  1
  Ni  Ni175  1  0.924113  0.097544  0.536822  1
  Ni  Ni176  1  0.936846  0.712651  0.616665  1
  Ni  Ni177  1  0.922046  0.404238  0.577109  1
  Ni  Ni178  1  0.589894  0.058358  0.600989  1
  Ni  Ni179  1  0.592090  0.751861  0.557102  1
  Ni  Ni180  1  0.585133  0.442098  0.513663  1
  Ni  Ni181  1  0.060138  0.160267  0.714528  1
  Ni  Ni182  1  0.053071  0.842142  0.678481  1
  Ni  Ni183  1  0.078309  0.539128  0.628786  1
  Ni  Ni184  1  0.413665  0.195181  0.651190  1
  Ni  Ni185  1  0.327901  0.806719  0.723849  1
  Ni  Ni186  1  0.388757  0.506162  0.690789  1
  Ni  Ni187  1  0.922232  0.020997  0.663040  1
  Ni  Ni188  1  0.883188  0.662461  0.732193  1
  Ni  Ni189  1  0.914969  0.333291  0.702047  1
  Ni  Ni190  1  0.593382  0.987671  0.726038  1
  Ni  Ni191  1  0.621370  0.675287  0.685073  1
  Ni  Ni192  1  0.586973  0.366901  0.640757  1
