# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12117070
_cell_length_b   25.79512557
_cell_length_c   50.72669311
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.86251894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al216 Ni72'
_cell_volume   9245.85507969
_cell_formula_units_Z   72
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  0.243993  0.007860  0.324732  1
  Al  Al2  1  0.394076  0.291373  0.294954  1
  Al  Al3  1  0.187759  0.662804  0.309401  1
  Al  Al4  1  0.740964  0.027171  0.267960  1
  Al  Al5  1  0.721048  0.384012  0.294571  1
  Al  Al6  1  0.595317  0.737918  0.330921  1
  Al  Al7  1  0.490436  0.917216  0.334812  1
  Al  Al8  1  0.787017  0.252177  0.297058  1
  Al  Al9  1  0.658702  0.574440  0.314965  1
  Al  Al10  1  1.000209  0.081173  0.286974  1
  Al  Al11  1  0.017453  0.403279  0.337869  1
  Al  Al12  1  0.444303  0.790671  0.288854  1
  Al  Al13  1  0.865208  0.037090  0.334449  1
  Al  Al14  1  0.110306  0.381957  0.285798  1
  Al  Al15  1  0.864969  0.716864  0.294072  1
  Al  Al16  1  0.440178  0.167086  0.288524  1
  Al  Al17  1  0.313772  0.569242  0.331172  1
  Al  Al18  1  0.745477  0.923593  0.279282  1
  Al  Al19  1  0.860141  0.919516  0.327807  1
  Al  Al20  1  0.724992  0.235360  0.347893  1
  Al  Al21  1  0.019615  0.575223  0.297980  1
  Al  Al22  1  0.382371  0.061716  0.278249  1
  Al  Al23  1  0.381417  0.404360  0.319813  1
  Al  Al24  1  0.236303  0.739090  0.343213  1
  Al  Al25  1  0.165154  0.222542  0.318440  1
  Al  Al26  1  0.265688  0.478103  0.283303  1
  Al  Al27  1  0.178745  0.889572  0.300382  1
  Al  Al28  1  0.357127  0.959774  0.279792  1
  Al  Al29  1  0.275621  0.317230  0.342345  1
  Al  Al30  1  0.553527  0.666734  0.295050  1
  Al  Al31  1  0.909870  0.149215  0.323707  1
  Al  Al32  1  0.784872  0.485370  0.346209  1
  Al  Al33  1  0.082982  0.793359  0.302128  1
  Al  Al34  1  0.533900  0.156580  0.338551  1
  Al  Al35  1  0.848596  0.481057  0.293416  1
  Al  Al36  1  0.713326  0.831065  0.313543  1
  Al  Al37  1  0.621761  0.969977  0.407455  1
  Al  Al38  1  0.902370  0.315332  0.360551  1
  Al  Al39  1  0.765409  0.644258  0.379788  1
  Al  Al40  1  0.480330  0.060565  0.349240  1
  Al  Al41  1  0.295885  0.391818  0.377229  1
  Al  Al42  1  0.155131  0.718776  0.401061  1
  Al  Al43  1  0.086591  0.887432  0.414463  1
  Al  Al44  1  0.369277  0.234457  0.367537  1
  Al  Al45  1  0.225525  0.561482  0.390271  1
  Al  Al46  1  0.751240  0.061144  0.386478  1
  Al  Al47  1  0.593559  0.388065  0.411121  1
  Al  Al48  1  0.892522  0.733727  0.361261  1
  Al  Al49  1  0.364874  0.051109  0.405750  1
  Al  Al50  1  0.648429  0.398177  0.357473  1
  Al  Al51  1  0.503118  0.723478  0.381772  1
  Al  Al52  1  0.016127  0.227641  0.382653  1
  Al  Al53  1  0.875191  0.552256  0.403933  1
  Al  Al54  1  0.169599  0.903051  0.355619  1
  Al  Al55  1  0.438705  0.892504  0.393361  1
  Al  Al56  1  0.287543  0.219102  0.419732  1
  Al  Al57  1  0.574928  0.566529  0.370311  1
  Al  Al58  1  0.111897  0.069170  0.365420  1
  Al  Al59  1  0.943566  0.394501  0.392847  1
  Al  Al60  1  0.801781  0.720118  0.415142  1
  Al  Al61  1  0.667188  0.220355  0.400643  1
  Al  Al62  1  0.959712  0.566959  0.351599  1
  Al  Al63  1  0.820113  0.891487  0.376995  1
  Al  Al64  1  1.004411  0.975830  0.387935  1
  Al  Al65  1  0.850210  0.302820  0.414102  1
  Al  Al66  1  0.145629  0.648148  0.363692  1
  Al  Al67  1  0.487451  0.139262  0.391005  1
  Al  Al68  1  0.333219  0.468287  0.414471  1
  Al  Al69  1  0.633633  0.814382  0.366675  1
  Al  Al70  1  0.110113  0.135799  0.406667  1
  Al  Al71  1  0.397197  0.481777  0.360844  1
  Al  Al72  1  0.254936  0.810808  0.382300  1
  Al  Al73  1  0.188178  0.950947  0.475054  1
  Al  Al74  1  0.473694  0.298098  0.428321  1
  Al  Al75  1  0.331454  0.624959  0.451213  1
  Al  Al76  1  0.014279  0.044958  0.425588  1
  Al  Al77  1  0.863438  0.373376  0.449901  1
  Al  Al78  1  0.718032  0.699515  0.473076  1
  Al  Al79  1  0.644483  0.867083  0.485619  1
  Al  Al80  1  0.937279  0.213483  0.438514  1
  Al  Al81  1  0.787921  0.541489  0.461520  1
  Al  Al82  1  0.309687  0.041187  0.458840  1
  Al  Al83  1  0.161024  0.368372  0.482806  1
  Al  Al84  1  0.452358  0.714992  0.434537  1
  Al  Al85  1  0.926016  0.030599  0.478247  1
  Al  Al86  1  0.213320  0.378125  0.430566  1
  Al  Al87  1  0.068521  0.704589  0.453757  1
  Al  Al88  1  0.588323  0.204520  0.452153  1
  Al  Al89  1  0.439737  0.532281  0.475151  1
  Al  Al90  1  0.735743  0.876791  0.428007  1
  Al  Al91  1  0.995492  0.872579  0.466596  1
  Al  Al92  1  0.851015  0.198911  0.490592  1
  Al  Al93  1  0.139076  0.546736  0.442638  1
  Al  Al94  1  0.660304  0.047646  0.440136  1
  Al  Al95  1  0.510474  0.373820  0.463872  1
  Al  Al96  1  0.364549  0.700463  0.487162  1
  Al  Al97  1  0.237251  0.199314  0.470892  1
  Al  Al98  1  0.524715  0.547501  0.422798  1
  Al  Al99  1  0.384721  0.872991  0.446222  1
  Al  Al100  1  0.566569  0.955182  0.460399  1
  Al  Al101  1  0.418622  0.282013  0.483597  1
  Al  Al102  1  0.709518  0.629436  0.435627  1
  Al  Al103  1  0.045669  0.120811  0.461894  1
  Al  Al104  1  0.898041  0.448751  0.485295  1
  Al  Al105  1  0.189733  0.794647  0.437621  1
  Al  Al106  1  0.668110  0.116547  0.477790  1
  Al  Al107  1  0.956332  0.464379  0.430050  1
  Al  Al108  1  0.811177  0.789686  0.453409  1
  Al  Al109  1  0.750157  0.931463  0.546941  1
  Al  Al110  1  0.041849  0.277359  0.499267  1
  Al  Al111  1  0.894221  0.605299  0.522668  1
  Al  Al112  1  0.575342  0.025647  0.497401  1
  Al  Al113  1  0.429416  0.352290  0.520691  1
  Al  Al114  1  0.279587  0.678463  0.544427  1
  Al  Al115  1  0.204147  0.849319  0.556556  1
  Al  Al116  1  0.500153  0.193829  0.509412  1
  Al  Al117  1  0.351567  0.521590  0.532410  1
  Al  Al118  1  0.871369  0.021521  0.530806  1
  Al  Al119  1  0.726570  0.347985  0.553997  1
  Al  Al120  1  0.013874  0.695511  0.506316  1
  Al  Al121  1  0.487533  0.011118  0.550026  1
  Al  Al122  1  0.778866  0.357738  0.501757  1
  Al  Al123  1  0.630203  0.684923  0.525723  1
  Al  Al124  1  0.151970  0.184620  0.523043  1
  Al  Al125  1  1.002611  0.512627  0.546049  1
  Al  Al126  1  0.295407  0.859027  0.498944  1
  Al  Al127  1  0.555169  0.853119  0.538340  1
  Al  Al128  1  0.415175  0.178608  0.561765  1
  Al  Al129  1  0.702639  0.526796  0.513670  1
  Al  Al130  1  0.221859  0.026595  0.511487  1
  Al  Al131  1  0.076453  0.352733  0.534662  1
  Al  Al132  1  0.925612  0.681152  0.558975  1
  Al  Al133  1  0.800814  0.179374  0.541925  1
  Al  Al134  1  0.088875  0.527199  0.493971  1
  Al  Al135  1  0.944398  0.853531  0.517966  1
  Al  Al136  1  0.128713  0.936424  0.531154  1
  Al  Al137  1  0.983559  0.261731  0.554513  1
  Al  Al138  1  0.271781  0.609563  0.506773  1
  Al  Al139  1  0.608436  0.101151  0.533350  1
  Al  Al140  1  0.466197  0.428012  0.556241  1
  Al  Al141  1  0.751712  0.775163  0.509509  1
  Al  Al142  1  0.230373  0.096674  0.548936  1
  Al  Al143  1  0.521269  0.444097  0.500966  1
  Al  Al144  1  0.373321  0.770928  0.524164  1
  Al  Al145  1  0.306257  0.911728  0.617888  1
  Al  Al146  1  0.606672  0.257823  0.570092  1
  Al  Al147  1  0.452439  0.586848  0.593558  1
  Al  Al148  1  0.138109  0.005992  0.569420  1
  Al  Al149  1  0.996324  0.331609  0.591715  1
  Al  Al150  1  0.827994  0.656940  0.619143  1
  Al  Al151  1  0.770292  0.823059  0.628944  1
  Al  Al152  1  0.064700  0.173854  0.580629  1
  Al  Al153  1  0.923764  0.498469  0.601909  1
  Al  Al154  1  0.436773  0.002632  0.602791  1
  Al  Al155  1  0.291462  0.327933  0.627090  1
  Al  Al156  1  0.575016  0.675001  0.578812  1
  Al  Al157  1  0.047368  0.992382  0.623302  1
  Al  Al158  1  0.346331  0.338045  0.573442  1
  Al  Al159  1  0.188650  0.664966  0.598084  1
  Al  Al160  1  0.714366  0.164628  0.594291  1
  Al  Al161  1  0.570613  0.491653  0.617025  1
  Al  Al162  1  0.853300  0.838678  0.570099  1
  Al  Al163  1  0.119778  0.834623  0.607567  1
  Al  Al164  1  0.980178  0.159150  0.632963  1
  Al  Al165  1  0.272703  0.505755  0.583920  1
  Al  Al166  1  0.784760  0.007334  0.583502  1
  Al  Al167  1  0.644006  0.334292  0.607333  1
  Al  Al168  1  0.459561  0.665545  0.635323  1
  Al  Al169  1  0.364962  0.159580  0.614252  1
  Al  Al170  1  0.652348  0.507008  0.564831  1
  Al  Al171  1  0.501186  0.833606  0.591202  1
  Al  Al172  1  0.684954  0.915302  0.602263  1
  Al  Al173  1  0.542694  0.244333  0.623719  1
  Al  Al174  1  0.829777  0.590311  0.577896  1
  Al  Al175  1  0.174481  0.081852  0.604774  1
  Al  Al176  1  0.037521  0.410778  0.624012  1
  Al  Al177  1  0.318129  0.756133  0.577108  1
  Al  Al178  1  0.794261  0.077962  0.620870  1
  Al  Al179  1  0.089680  0.423290  0.570461  1
  Al  Al180  1  0.935479  0.750280  0.596628  1
  Al  Al181  1  0.856909  0.932751  0.682435  1
  Al  Al182  1  0.155018  0.240740  0.638354  1
  Al  Al183  1  0.030021  0.576895  0.660856  1
  Al  Al184  1  0.703587  0.987020  0.641350  1
  Al  Al185  1  0.558473  0.321750  0.664749  1
  Al  Al186  1  0.557520  0.664393  0.706314  1
  Al  Al187  1  0.194414  0.802517  0.705281  1
  Al  Al188  1  0.626118  0.156868  0.653390  1
  Al  Al189  1  0.499713  0.559024  0.696039  1
  Al  Al190  1  0.074922  0.009245  0.690491  1
  Al  Al191  1  0.829585  0.344153  0.698765  1
  Al  Al192  1  0.074682  0.689020  0.650113  1
  Al  Al193  1  0.495587  0.935439  0.695709  1
  Al  Al194  1  0.922437  0.322831  0.646694  1
  Al  Al195  1  0.939681  0.644937  0.697589  1
  Al  Al196  1  0.281188  0.151669  0.669598  1
  Al  Al197  1  0.152874  0.473933  0.687505  1
  Al  Al198  1  0.449455  0.808894  0.649751  1
  Al  Al199  1  0.761145  0.836538  0.684181  1
  Al  Al200  1  0.674202  0.248007  0.701260  1
  Al  Al201  1  0.774736  0.503568  0.666123  1
  Al  Al202  1  0.344574  0.988192  0.653642  1
  Al  Al203  1  0.218842  0.342098  0.689991  1
  Al  Al204  1  0.198927  0.698939  0.716603  1
  Al  Al205  1  0.920276  0.150887  0.686583  1
  Al  Al206  1  0.214898  0.490750  0.636670  1
  Al  Al207  1  0.079750  0.806594  0.656756  1
  Al  Al208  1  0.226565  0.895045  0.671020  1
  Al  Al209  1  0.091295  0.245053  0.691147  1
  Al  Al210  1  0.405991  0.569530  0.646012  1
  Al  Al211  1  0.752131  0.063305  0.675162  1
  Al  Al212  1  0.545814  0.434737  0.689608  1
  Al  Al213  1  0.695898  0.718250  0.659831  1
  Al  Al214  1  0.386364  0.059376  0.689513  1
  Al  Al215  1  0.664269  0.408880  0.642217  1
  Al  Al216  1  0.582763  0.766336  0.704770  1
  Ni  Ni217  1  0.602711  0.995809  0.311254  1
  Ni  Ni218  1  0.624676  0.321780  0.327738  1
  Ni  Ni219  1  0.484792  0.651869  0.345486  1
  Ni  Ni220  1  0.982021  0.981864  0.297133  1
  Ni  Ni221  1  0.979699  0.317008  0.313803  1
  Ni  Ni222  1  0.831213  0.653226  0.330138  1
  Ni  Ni223  1  0.642100  0.089471  0.306021  1
  Ni  Ni224  1  0.515146  0.487607  0.314797  1
  Ni  Ni225  1  0.355457  0.825146  0.333352  1
  Ni  Ni226  1  0.258813  0.109678  0.317799  1
  Ni  Ni227  1  0.130929  0.489655  0.327394  1
  Ni  Ni228  1  0.991459  0.821991  0.348215  1
  Ni  Ni229  1  0.344995  0.980330  0.371842  1
  Ni  Ni230  1  0.193463  0.307369  0.395107  1
  Ni  Ni231  1  0.050264  0.634054  0.417998  1
  Ni  Ni232  1  0.684236  0.978876  0.359729  1
  Ni  Ni233  1  0.551313  0.311696  0.377460  1
  Ni  Ni234  1  0.409245  0.638562  0.400068  1
  Ni  Ni235  1  0.193646  0.157398  0.357444  1
  Ni  Ni236  1  0.059436  0.478334  0.377492  1
  Ni  Ni237  1  0.913732  0.803937  0.399571  1
  Ni  Ni238  1  0.845509  0.147520  0.372381  1
  Ni  Ni239  1  0.689188  0.474324  0.394589  1
  Ni  Ni240  1  0.548064  0.800318  0.416797  1
  Ni  Ni241  1  0.907847  0.960196  0.442094  1
  Ni  Ni242  1  0.760452  0.286948  0.466250  1
  Ni  Ni243  1  0.613782  0.614452  0.489527  1
  Ni  Ni244  1  0.270319  0.964986  0.423992  1
  Ni  Ni245  1  0.118760  0.292187  0.448713  1
  Ni  Ni246  1  0.972291  0.619248  0.471768  1
  Ni  Ni247  1  0.767414  0.131778  0.423592  1
  Ni  Ni248  1  0.614114  0.459317  0.447136  1
  Ni  Ni249  1  0.469181  0.785613  0.470788  1
  Ni  Ni250  1  0.404426  0.126996  0.441428  1
  Ni  Ni251  1  0.256267  0.454327  0.465076  1
  Ni  Ni252  1  0.110158  0.780958  0.488531  1
  Ni  Ni253  1  0.470710  0.940497  0.513774  1
  Ni  Ni254  1  0.325776  0.266793  0.537427  1
  Ni  Ni255  1  0.172477  0.594332  0.560970  1
  Ni  Ni256  1  0.829732  0.945152  0.496032  1
  Ni  Ni257  1  0.683623  0.271783  0.519486  1
  Ni  Ni258  1  0.535465  0.599114  0.543135  1
  Ni  Ni259  1  0.326109  0.111658  0.495036  1
  Ni  Ni260  1  0.179438  0.439162  0.518312  1
  Ni  Ni261  1  0.032043  0.765914  0.542469  1
  Ni  Ni262  1  0.967600  0.106862  0.512795  1
  Ni  Ni263  1  0.821130  0.433923  0.535850  1
  Ni  Ni264  1  0.669572  0.761124  0.560570  1
  Ni  Ni265  1  0.026158  0.922173  0.584991  1
  Ni  Ni266  1  0.880454  0.247776  0.607071  1
  Ni  Ni267  1  0.746245  0.568711  0.627119  1
  Ni  Ni268  1  0.391827  0.925792  0.567766  1
  Ni  Ni269  1  0.250702  0.251786  0.589974  1
  Ni  Ni270  1  0.094382  0.578589  0.612182  1
  Ni  Ni271  1  0.889626  0.092056  0.566564  1
  Ni  Ni272  1  0.746428  0.418741  0.589455  1
  Ni  Ni273  1  0.594895  0.745780  0.612721  1
  Ni  Ni274  1  0.530646  0.087548  0.584495  1
  Ni  Ni275  1  0.388577  0.414414  0.607103  1
  Ni  Ni276  1  0.255654  0.747234  0.624834  1
  Ni  Ni277  1  0.584434  0.900964  0.651211  1
  Ni  Ni278  1  0.424745  0.238503  0.669765  1
  Ni  Ni279  1  0.297790  0.636639  0.678542  1
  Ni  Ni280  1  0.948432  0.904119  0.636348  1
  Ni  Ni281  1  0.808962  0.236455  0.657168  1
  Ni  Ni282  1  0.681078  0.616432  0.666763  1
  Ni  Ni283  1  0.455098  0.074241  0.639077  1
  Ni  Ni284  1  0.315214  0.404330  0.656824  1
  Ni  Ni285  1  0.337179  0.730301  0.673308  1
  Ni  Ni286  1  0.108677  0.072884  0.654424  1
  Ni  Ni287  1  0.960192  0.409102  0.670760  1
  Ni  Ni288  1  0.957869  0.744246  0.687429  1
