# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.90363224
_cell_length_b   9.19644868
_cell_length_c   48.99431071
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.20259151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   8438.72604308
_cell_formula_units_Z   60
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  0.821212  0.119613  0.342752  1
  Al  Al2  1  0.141500  0.030263  0.367772  1
  Al  Al3  1  0.505383  0.216521  0.315006  1
  Al  Al4  1  0.898112  0.406259  0.318740  1
  Al  Al5  1  0.208664  0.319474  0.347395  1
  Al  Al6  1  0.580100  0.495875  0.292702  1
  Al  Al7  1  0.864863  0.825867  0.366759  1
  Al  Al8  1  0.229890  0.007644  0.310935  1
  Al  Al9  1  0.545168  0.913036  0.340652  1
  Al  Al10  1  0.944649  0.632259  0.290824  1
  Al  Al11  1  0.271767  0.506607  0.314788  1
  Al  Al12  1  0.589355  0.403164  0.344988  1
  Al  Al13  1  0.057481  0.426464  0.312720  1
  Al  Al14  1  0.375500  0.325231  0.342484  1
  Al  Al15  1  0.696369  0.234129  0.370270  1
  Al  Al16  1  0.093463  0.931712  0.315785  1
  Al  Al17  1  0.418195  0.817179  0.346272  1
  Al  Al18  1  0.795334  0.988635  0.292548  1
  Al  Al19  1  0.032796  0.845825  0.362704  1
  Al  Al20  1  0.391874  0.036331  0.307065  1
  Al  Al21  1  0.711731  0.934306  0.336110  1
  Al  Al22  1  0.075264  0.334731  0.366268  1
  Al  Al23  1  0.438525  0.513694  0.310219  1
  Al  Al24  1  0.759134  0.425615  0.338022  1
  Al  Al25  1  0.933068  0.899957  0.320401  1
  Al  Al26  1  0.251993  0.797737  0.350186  1
  Al  Al27  1  0.611130  0.987742  0.294686  1
  Al  Al28  1  0.994265  0.160911  0.332429  1
  Al  Al29  1  0.309458  0.065209  0.357605  1
  Al  Al30  1  0.682796  0.230796  0.308176  1
  Al  Al31  1  0.142612  0.607658  0.346390  1
  Al  Al32  1  0.492626  0.787005  0.293328  1
  Al  Al33  1  0.816465  0.695949  0.319648  1
  Al  Al34  1  0.973148  0.582800  0.353771  1
  Al  Al35  1  0.333329  0.759658  0.301451  1
  Al  Al36  1  0.653503  0.666346  0.328486  1
  Al  Al37  1  0.774825  0.847072  0.425311  1
  Al  Al38  1  0.093113  0.758535  0.452481  1
  Al  Al39  1  0.457725  0.936721  0.397249  1
  Al  Al40  1  0.843618  0.131850  0.402343  1
  Al  Al41  1  0.161880  0.042334  0.430008  1
  Al  Al42  1  0.523497  0.220690  0.375443  1
  Al  Al43  1  0.816758  0.554368  0.450677  1
  Al  Al44  1  0.181635  0.735780  0.395011  1
  Al  Al45  1  0.498360  0.642357  0.423435  1
  Al  Al46  1  0.907406  0.314189  0.371156  1
  Al  Al47  1  0.225789  0.222585  0.398705  1
  Al  Al48  1  0.542412  0.131472  0.427376  1
  Al  Al49  1  0.013648  0.145770  0.397110  1
  Al  Al50  1  0.329160  0.052141  0.426294  1
  Al  Al51  1  0.647415  0.961827  0.454361  1
  Al  Al52  1  0.055295  0.635657  0.401271  1
  Al  Al53  1  0.372081  0.542200  0.430160  1
  Al  Al54  1  0.739203  0.722482  0.374214  1
  Al  Al55  1  0.985883  0.568665  0.446549  1
  Al  Al56  1  0.349411  0.749284  0.391322  1
  Al  Al57  1  0.668449  0.656651  0.419348  1
  Al  Al58  1  0.028433  0.056284  0.449865  1
  Al  Al59  1  0.391063  0.235208  0.394746  1
  Al  Al60  1  0.710746  0.145087  0.422839  1
  Al  Al61  1  0.888313  0.622093  0.406183  1
  Al  Al62  1  0.205787  0.529986  0.434163  1
  Al  Al63  1  0.571076  0.705703  0.379212  1
  Al  Al64  1  0.947558  0.884942  0.413789  1
  Al  Al65  1  0.263969  0.793441  0.441824  1
  Al  Al66  1  0.629407  0.971023  0.387251  1
  Al  Al67  1  0.096724  0.339033  0.427607  1
  Al  Al68  1  0.460804  0.516989  0.372892  1
  Al  Al69  1  0.781440  0.428640  0.399846  1
  Al  Al70  1  0.926012  0.304489  0.438120  1
  Al  Al71  1  0.289574  0.486269  0.382689  1
  Al  Al72  1  0.607150  0.392325  0.410881  1
  Al  Al73  1  0.727046  0.574700  0.508899  1
  Al  Al74  1  0.046488  0.485916  0.536247  1
  Al  Al75  1  0.409840  0.664826  0.481162  1
  Al  Al76  1  0.796682  0.860387  0.485757  1
  Al  Al77  1  0.114687  0.770326  0.513745  1
  Al  Al78  1  0.478689  0.949095  0.458518  1
  Al  Al79  1  0.769285  0.282196  0.534209  1
  Al  Al80  1  0.134540  0.463063  0.478439  1
  Al  Al81  1  0.451623  0.370439  0.506909  1
  Al  Al82  1  0.860727  0.042891  0.454409  1
  Al  Al83  1  0.178284  0.952243  0.482287  1
  Al  Al84  1  0.494707  0.859188  0.510695  1
  Al  Al85  1  0.965591  0.873268  0.481577  1
  Al  Al86  1  0.282015  0.780213  0.509985  1
  Al  Al87  1  0.599572  0.689565  0.537863  1
  Al  Al88  1  1.008676  0.362016  0.485363  1
  Al  Al89  1  0.325759  0.269393  0.513833  1
  Al  Al90  1  0.691013  0.450260  0.458063  1
  Al  Al91  1  0.938042  0.296635  0.530105  1
  Al  Al92  1  0.302252  0.475930  0.475048  1
  Al  Al93  1  0.619901  0.384579  0.502837  1
  Al  Al94  1  0.981610  0.783361  0.533754  1
  Al  Al95  1  0.345612  0.962129  0.478527  1
  Al  Al96  1  0.663617  0.872068  0.506515  1
  Al  Al97  1  0.840398  0.347876  0.489435  1
  Al  Al98  1  0.158046  0.256526  0.517224  1
  Al  Al99  1  0.522257  0.435821  0.462167  1
  Al  Al100  1  0.900019  0.611862  0.497488  1
  Al  Al101  1  0.216809  0.520260  0.525469  1
  Al  Al102  1  0.581868  0.699776  0.470312  1
  Al  Al103  1  0.050458  0.067630  0.511110  1
  Al  Al104  1  0.413811  0.246540  0.456025  1
  Al  Al105  1  0.733253  0.157756  0.483373  1
  Al  Al106  1  0.878431  0.032680  0.521960  1
  Al  Al107  1  0.243489  0.212196  0.466803  1
  Al  Al108  1  0.560280  0.120594  0.494784  1
  Al  Al109  1  0.678859  0.303816  0.592426  1
  Al  Al110  1  0.999495  0.215467  0.619380  1
  Al  Al111  1  0.363575  0.393423  0.564665  1
  Al  Al112  1  0.749553  0.587369  0.569433  1
  Al  Al113  1  0.069235  0.497248  0.597526  1
  Al  Al114  1  0.431866  0.676172  0.542407  1
  Al  Al115  1  0.721095  0.009974  0.618058  1
  Al  Al116  1  0.088218  0.190256  0.562112  1
  Al  Al117  1  0.405003  0.096799  0.591001  1
  Al  Al118  1  0.812884  0.770629  0.537911  1
  Al  Al119  1  0.131139  0.680315  0.565978  1
  Al  Al120  1  0.446650  0.586686  0.595162  1
  Al  Al121  1  0.917887  0.600984  0.564896  1
  Al  Al122  1  0.234510  0.509870  0.593567  1
  Al  Al123  1  0.552893  0.418267  0.621116  1
  Al  Al124  1  0.961939  0.090099  0.568838  1
  Al  Al125  1  0.278663  0.996676  0.597262  1
  Al  Al126  1  0.643541  0.178088  0.541595  1
  Al  Al127  1  0.889223  0.026753  0.613060  1
  Al  Al128  1  0.254512  0.202470  0.558110  1
  Al  Al129  1  0.571986  0.110362  0.586089  1
  Al  Al130  1  0.936802  0.511766  0.616829  1
  Al  Al131  1  0.298419  0.690122  0.562264  1
  Al  Al132  1  0.616681  0.600606  0.589930  1
  Al  Al133  1  0.791849  0.075805  0.572924  1
  Al  Al134  1  0.110888  0.983172  0.600950  1
  Al  Al135  1  0.474416  0.163791  0.545723  1
  Al  Al136  1  0.853149  0.340131  0.581391  1
  Al  Al137  1  0.170725  0.246187  0.609583  1
  Al  Al138  1  0.534287  0.427967  0.554152  1
  Al  Al139  1  1.002573  0.795735  0.595023  1
  Al  Al140  1  0.367185  0.973921  0.539791  1
  Al  Al141  1  0.685474  0.885384  0.566961  1
  Al  Al142  1  0.830892  0.761433  0.605021  1
  Al  Al143  1  0.196329  0.939015  0.550448  1
  Al  Al144  1  0.512741  0.847514  0.578483  1
  Al  Al145  1  0.643834  0.036507  0.672624  1
  Al  Al146  1  0.967673  0.945451  0.698944  1
  Al  Al147  1  0.317687  0.124798  0.645882  1
  Al  Al148  1  0.701164  0.306841  0.654250  1
  Al  Al149  1  0.021774  0.218762  0.682053  1
  Al  Al150  1  0.385035  0.397725  0.626004  1
  Al  Al151  1  0.664965  0.743821  0.699724  1
  Al  Al152  1  0.042104  0.915277  0.646000  1
  Al  Al153  1  0.366836  0.800744  0.676487  1
  Al  Al154  1  0.763930  0.498327  0.622002  1
  Al  Al155  1  0.084799  0.407225  0.649788  1
  Al  Al156  1  0.402818  0.305992  0.679552  1
  Al  Al157  1  0.870944  0.329292  0.647284  1
  Al  Al158  1  0.188532  0.225849  0.677484  1
  Al  Al159  1  0.515650  0.100197  0.701448  1
  Al  Al160  1  0.915131  0.819420  0.651620  1
  Al  Al161  1  0.230409  0.724812  0.681337  1
  Al  Al162  1  0.595436  0.906589  0.625513  1
  Al  Al163  1  0.849169  0.744714  0.697586  1
  Al  Al164  1  0.208305  0.934719  0.642086  1
  Al  Al165  1  0.527231  0.832499  0.671871  1
  Al  Al166  1  0.880199  0.236581  0.699570  1
  Al  Al167  1  0.251635  0.412982  0.644877  1
  Al  Al168  1  0.562187  0.326197  0.673532  1
  Al  Al169  1  0.748568  0.798149  0.656162  1
  Al  Al170  1  0.068425  0.696125  0.685207  1
  Al  Al171  1  0.427503  0.886631  0.629568  1
  Al  Al172  1  0.806795  0.066110  0.663786  1
  Al  Al173  1  0.126970  0.972797  0.690821  1
  Al  Al174  1  0.487151  0.149655  0.638501  1
  Al  Al175  1  0.954916  0.515935  0.677266  1
  Al  Al176  1  0.318798  0.702193  0.624500  1
  Al  Al177  1  0.639087  0.612842  0.649520  1
  Al  Al178  1  0.777503  0.501659  0.684096  1
  Al  Al179  1  0.150841  0.667247  0.634667  1
  Al  Al180  1  0.466034  0.571544  0.659843  1
  Ni  Ni181  1  0.123382  0.181964  0.324989  1
  Ni  Ni182  1  0.438699  0.080895  0.353481  1
  Ni  Ni183  1  0.809672  0.260239  0.299114  1
  Ni  Ni184  1  0.930704  0.034733  0.367545  1
  Ni  Ni185  1  0.288500  0.229147  0.311433  1
  Ni  Ni186  1  0.610384  0.121688  0.342054  1
  Ni  Ni187  1  0.846939  0.555491  0.361417  1
  Ni  Ni188  1  0.193757  0.741675  0.306690  1
  Ni  Ni189  1  0.525228  0.644187  0.334901  1
  Ni  Ni190  1  0.043836  0.703310  0.317975  1
  Ni  Ni191  1  0.354600  0.604259  0.346601  1
  Ni  Ni192  1  0.713409  0.788891  0.291364  1
  Ni  Ni193  1  0.075926  0.902324  0.408481  1
  Ni  Ni194  1  0.392592  0.808251  0.437169  1
  Ni  Ni195  1  0.757765  0.988777  0.381610  1
  Ni  Ni196  1  0.884741  0.763756  0.451100  1
  Ni  Ni197  1  0.248550  0.944541  0.395171  1
  Ni  Ni198  1  0.566224  0.850843  0.424063  1
  Ni  Ni199  1  0.797656  0.287030  0.443756  1
  Ni  Ni200  1  0.162228  0.466283  0.389507  1
  Ni  Ni201  1  0.478178  0.375000  0.416693  1
  Ni  Ni202  1  0.988188  0.426778  0.401019  1
  Ni  Ni203  1  0.305276  0.333124  0.429537  1
  Ni  Ni204  1  0.672408  0.512371  0.374378  1
  Ni  Ni205  1  0.028474  0.629022  0.492336  1
  Ni  Ni206  1  0.345387  0.536092  0.520866  1
  Ni  Ni207  1  0.710146  0.717579  0.465064  1
  Ni  Ni208  1  0.836905  0.491019  0.534595  1
  Ni  Ni209  1  0.201536  0.672585  0.479071  1
  Ni  Ni210  1  0.518753  0.579462  0.507423  1
  Ni  Ni211  1  0.750152  0.014877  0.527208  1
  Ni  Ni212  1  0.114912  0.196364  0.471406  1
  Ni  Ni213  1  0.431825  0.103434  0.499936  1
  Ni  Ni214  1  0.941546  0.152994  0.484849  1
  Ni  Ni215  1  0.258763  0.059871  0.513201  1
  Ni  Ni216  1  0.623394  0.241437  0.457677  1
  Ni  Ni217  1  0.982121  0.357456  0.575579  1
  Ni  Ni218  1  0.298070  0.266173  0.602765  1
  Ni  Ni219  1  0.662643  0.445426  0.548517  1
  Ni  Ni220  1  0.787891  0.220085  0.617894  1
  Ni  Ni221  1  0.155023  0.399332  0.562735  1
  Ni  Ni222  1  0.472111  0.305678  0.591253  1
  Ni  Ni223  1  0.702534  0.743679  0.610662  1
  Ni  Ni224  1  0.067707  0.924205  0.555103  1
  Ni  Ni225  1  0.384372  0.830132  0.583791  1
  Ni  Ni226  1  0.894075  0.881613  0.568209  1
  Ni  Ni227  1  0.211749  0.787915  0.597101  1
  Ni  Ni228  1  0.575557  0.968700  0.541172  1
  Ni  Ni229  1  0.935071  0.088269  0.657371  1
  Ni  Ni230  1  0.266541  0.990781  0.685582  1
  Ni  Ni231  1  0.613359  0.176965  0.630855  1
  Ni  Ni232  1  0.746890  0.943565  0.700908  1
  Ni  Ni233  1  0.105699  0.128197  0.645671  1
  Ni  Ni234  1  0.416463  0.029146  0.674297  1
  Ni  Ni235  1  0.650627  0.472217  0.693158  1
  Ni  Ni236  1  0.021600  0.651561  0.638791  1
  Ni  Ni237  1  0.336917  0.550492  0.667283  1
  Ni  Ni238  1  0.849914  0.610767  0.650218  1
  Ni  Ni239  1  0.171799  0.503309  0.680839  1
  Ni  Ni240  1  0.529595  0.697723  0.624727  1
