# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.13544101
_cell_length_b   16.27623707
_cell_length_c   48.60796369
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.66016910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al240 Ni80'
_cell_volume   10328.6124055
_cell_formula_units_Z   80
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  0.083669  0.352075  0.317433  1
  Al  Al2  1  0.583669  0.852075  0.317433  1
  Al  Al3  1  0.640813  0.396278  0.274447  1
  Al  Al4  1  0.140813  0.896278  0.274447  1
  Al  Al5  1  0.220221  0.473897  0.284578  1
  Al  Al6  1  0.720221  0.973897  0.284578  1
  Al  Al7  1  0.650563  0.438182  0.331125  1
  Al  Al8  1  0.150563  0.938182  0.331125  1
  Al  Al9  1  0.110665  0.204600  0.357104  1
  Al  Al10  1  0.610665  0.704600  0.357104  1
  Al  Al11  1  0.681760  0.243753  0.306428  1
  Al  Al12  1  0.181760  0.743753  0.306428  1
  Al  Al13  1  0.204036  0.471470  0.340122  1
  Al  Al14  1  0.704036  0.971470  0.340122  1
  Al  Al15  1  0.772460  0.509642  0.294553  1
  Al  Al16  1  0.272460  0.009642  0.294553  1
  Al  Al17  1  0.446305  0.471858  0.285700  1
  Al  Al18  1  0.946305  0.971858  0.285700  1
  Al  Al19  1  0.896507  0.437978  0.334212  1
  Al  Al20  1  0.396507  0.937978  0.334212  1
  Al  Al21  1  0.559783  0.751332  0.273538  1
  Al  Al22  1  0.059783  0.251332  0.273538  1
  Al  Al23  1  0.989434  0.698368  0.316819  1
  Al  Al24  1  0.489434  0.198368  0.316819  1
  Al  Al25  1  0.478228  0.291043  0.269049  1
  Al  Al26  1  0.978228  0.791043  0.269049  1
  Al  Al27  1  0.916853  0.243038  0.313429  1
  Al  Al28  1  0.416853  0.743038  0.313429  1
  Al  Al29  1  0.449540  0.466458  0.342765  1
  Al  Al30  1  0.949540  0.966458  0.342765  1
  Al  Al31  1  1.006710  0.514122  0.295812  1
  Al  Al32  1  0.506710  0.014122  0.295812  1
  Al  Al33  1  0.178735  0.663483  0.357388  1
  Al  Al34  1  0.678735  0.163483  0.357388  1
  Al  Al35  1  0.729086  0.703673  0.312303  1
  Al  Al36  1  0.229086  0.203673  0.312303  1
  Al  Al37  1  0.339702  0.344279  0.314032  1
  Al  Al38  1  0.839702  0.844279  0.314032  1
  Al  Al39  1  0.774395  0.307836  0.356603  1
  Al  Al40  1  0.274395  0.807836  0.356603  1
  Al  Al41  1  0.568324  0.594507  0.315461  1
  Al  Al42  1  0.068324  0.094507  0.315461  1
  Al  Al43  1  0.015386  0.561379  0.356076  1
  Al  Al44  1  0.515386  0.061379  0.356076  1
  Al  Al45  1  0.328073  0.593885  0.315827  1
  Al  Al46  1  0.828073  0.093885  0.315827  1
  Al  Al47  1  0.863626  0.645474  0.273227  1
  Al  Al48  1  0.363626  0.145474  0.273227  1
  Al  Al49  1  0.958986  0.264523  0.407222  1
  Al  Al50  1  0.458986  0.764523  0.407222  1
  Al  Al51  1  0.521374  0.304895  0.361767  1
  Al  Al52  1  0.021374  0.804895  0.361767  1
  Al  Al53  1  0.084139  0.399040  0.375467  1
  Al  Al54  1  0.584139  0.899040  0.375467  1
  Al  Al55  1  0.524275  0.357291  0.421302  1
  Al  Al56  1  0.024275  0.857291  0.421302  1
  Al  Al57  1  0.987780  0.124718  0.447917  1
  Al  Al58  1  0.487780  0.624718  0.447917  1
  Al  Al59  1  0.550892  0.164106  0.401370  1
  Al  Al60  1  0.050892  0.664106  0.401370  1
  Al  Al61  1  0.079176  0.390509  0.430841  1
  Al  Al62  1  0.579176  0.890509  0.430841  1
  Al  Al63  1  0.642748  0.428402  0.385919  1
  Al  Al64  1  0.142748  0.928402  0.385919  1
  Al  Al65  1  0.330862  0.394055  0.378130  1
  Al  Al66  1  0.830862  0.894055  0.378130  1
  Al  Al67  1  0.767876  0.354054  0.424314  1
  Al  Al68  1  0.267876  0.854054  0.424314  1
  Al  Al69  1  0.421838  0.660374  0.361779  1
  Al  Al70  1  0.921838  0.160374  0.361779  1
  Al  Al71  1  0.859389  0.620318  0.407406  1
  Al  Al72  1  0.359389  0.120318  0.407406  1
  Al  Al73  1  0.355158  0.204290  0.359269  1
  Al  Al74  1  0.855158  0.704290  0.359269  1
  Al  Al75  1  0.793790  0.162543  0.404895  1
  Al  Al76  1  0.293790  0.662543  0.404895  1
  Al  Al77  1  0.324003  0.386906  0.433755  1
  Al  Al78  1  0.824003  0.886906  0.433755  1
  Al  Al79  1  0.884827  0.426123  0.388764  1
  Al  Al80  1  0.384827  0.926123  0.388764  1
  Al  Al81  1  0.053439  0.581963  0.449652  1
  Al  Al82  1  0.553439  0.081963  0.449652  1
  Al  Al83  1  0.615846  0.622601  0.405235  1
  Al  Al84  1  0.115846  0.122601  0.405235  1
  Al  Al85  1  0.212799  0.269569  0.403023  1
  Al  Al86  1  0.712799  0.769569  0.403023  1
  Al  Al87  1  0.650695  0.228438  0.448082  1
  Al  Al88  1  0.150695  0.728438  0.448082  1
  Al  Al89  1  0.448835  0.518847  0.402917  1
  Al  Al90  1  0.948835  0.018847  0.402917  1
  Al  Al91  1  0.888774  0.479606  0.447709  1
  Al  Al92  1  0.388774  0.979606  0.447709  1
  Al  Al93  1  0.197020  0.515162  0.406256  1
  Al  Al94  1  0.697020  0.015162  0.406256  1
  Al  Al95  1  0.756616  0.556224  0.361076  1
  Al  Al96  1  0.256616  0.056224  0.361076  1
  Al  Al97  1  0.835270  0.184844  0.498420  1
  Al  Al98  1  0.335270  0.684844  0.498420  1
  Al  Al99  1  0.396978  0.225498  0.452744  1
  Al  Al100  1  0.896978  0.725498  0.452744  1
  Al  Al101  1  0.961375  0.318116  0.466700  1
  Al  Al102  1  0.461375  0.818116  0.466700  1
  Al  Al103  1  0.400196  0.278465  0.512228  1
  Al  Al104  1  0.900196  0.778465  0.512228  1
  Al  Al105  1  0.864125  0.044872  0.538882  1
  Al  Al106  1  0.364125  0.544872  0.538882  1
  Al  Al107  1  0.426164  0.084361  0.492908  1
  Al  Al108  1  0.926164  0.584361  0.492908  1
  Al  Al109  1  0.955357  0.309961  0.522153  1
  Al  Al110  1  0.455357  0.809961  0.522153  1
  Al  Al111  1  0.518174  0.350114  0.476606  1
  Al  Al112  1  0.018174  0.850114  0.476606  1
  Al  Al113  1  0.206294  0.314673  0.469663  1
  Al  Al114  1  0.706294  0.814673  0.469663  1
  Al  Al115  1  0.643477  0.274519  0.515211  1
  Al  Al116  1  0.143477  0.774519  0.515211  1
  Al  Al117  1  0.297526  0.579762  0.452934  1
  Al  Al118  1  0.797526  0.079762  0.452934  1
  Al  Al119  1  0.735487  0.540273  0.498908  1
  Al  Al120  1  0.235487  0.040273  0.498908  1
  Al  Al121  1  0.232956  0.122888  0.450902  1
  Al  Al122  1  0.732956  0.622888  0.450902  1
  Al  Al123  1  0.669885  0.082862  0.496029  1
  Al  Al124  1  0.169885  0.582862  0.496029  1
  Al  Al125  1  0.200276  0.306518  0.525116  1
  Al  Al126  1  0.700276  0.806518  0.525116  1
  Al  Al127  1  0.761456  0.346168  0.479589  1
  Al  Al128  1  0.261456  0.846168  0.479589  1
  Al  Al129  1  0.928695  0.501746  0.540914  1
  Al  Al130  1  0.428695  0.001746  0.540914  1
  Al  Al131  1  0.491766  0.541772  0.495787  1
  Al  Al132  1  0.991766  0.041772  0.495787  1
  Al  Al133  1  0.088990  0.189187  0.494050  1
  Al  Al134  1  0.588990  0.689187  0.494050  1
  Al  Al135  1  0.526651  0.148826  0.539271  1
  Al  Al136  1  0.026651  0.648826  0.539271  1
  Al  Al137  1  0.326381  0.439790  0.493396  1
  Al  Al138  1  0.826381  0.939790  0.493396  1
  Al  Al139  1  0.764673  0.399136  0.539072  1
  Al  Al140  1  0.264673  0.899136  0.539072  1
  Al  Al141  1  0.072661  0.435447  0.497767  1
  Al  Al142  1  0.572661  0.935447  0.497767  1
  Al  Al143  1  0.635000  0.475807  0.452545  1
  Al  Al144  1  0.135000  0.975807  0.452545  1
  Al  Al145  1  0.712816  0.105787  0.588900  1
  Al  Al146  1  0.212816  0.605787  0.588900  1
  Al  Al147  1  0.272877  0.145028  0.544107  1
  Al  Al148  1  0.772877  0.645028  0.544107  1
  Al  Al149  1  0.837648  0.237728  0.558062  1
  Al  Al150  1  0.337648  0.737728  0.558062  1
  Al  Al151  1  0.276825  0.198511  0.603053  1
  Al  Al152  1  0.776825  0.698511  0.603053  1
  Al  Al153  1  0.739813  0.964260  0.630038  1
  Al  Al154  1  0.239813  0.464260  0.630038  1
  Al  Al155  1  0.302263  0.004315  0.584411  1
  Al  Al156  1  0.802263  0.504315  0.584411  1
  Al  Al157  1  0.830789  0.230579  0.613686  1
  Al  Al158  1  0.330789  0.730579  0.613686  1
  Al  Al159  1  0.393776  0.270580  0.567502  1
  Al  Al160  1  0.893776  0.770580  0.567502  1
  Al  Al161  1  0.082475  0.234125  0.560975  1
  Al  Al162  1  0.582475  0.734125  0.560975  1
  Al  Al163  1  0.518903  0.196232  0.605898  1
  Al  Al164  1  0.018903  0.696232  0.605898  1
  Al  Al165  1  0.173871  0.499916  0.543900  1
  Al  Al166  1  0.673871  0.999916  0.543900  1
  Al  Al167  1  0.610759  0.460528  0.590446  1
  Al  Al168  1  0.110759  0.960528  0.590446  1
  Al  Al169  1  0.108212  0.042670  0.542164  1
  Al  Al170  1  0.608212  0.542670  0.542164  1
  Al  Al171  1  0.545805  0.002033  0.586581  1
  Al  Al172  1  0.045805  0.502033  0.586581  1
  Al  Al173  1  0.077512  0.225594  0.616349  1
  Al  Al174  1  0.577512  0.725594  0.616349  1
  Al  Al175  1  0.637376  0.267343  0.570515  1
  Al  Al176  1  0.137376  0.767343  0.570515  1
  Al  Al177  1  0.806493  0.420344  0.632548  1
  Al  Al178  1  0.306493  0.920344  0.632548  1
  Al  Al179  1  0.367861  0.462090  0.586922  1
  Al  Al180  1  0.867861  0.962090  0.586922  1
  Al  Al181  1  0.964631  0.109471  0.585560  1
  Al  Al182  1  0.464631  0.609471  0.585560  1
  Al  Al183  1  0.405035  0.068410  0.630740  1
  Al  Al184  1  0.905035  0.568410  0.630740  1
  Al  Al185  1  0.202665  0.360111  0.584594  1
  Al  Al186  1  0.702665  0.860111  0.584594  1
  Al  Al187  1  0.640277  0.319739  0.630049  1
  Al  Al188  1  0.140277  0.819739  0.630049  1
  Al  Al189  1  0.948852  0.355065  0.588794  1
  Al  Al190  1  0.448852  0.855065  0.588794  1
  Al  Al191  1  0.510956  0.396196  0.543735  1
  Al  Al192  1  0.010956  0.896196  0.543735  1
  Al  Al193  1  0.593327  0.030127  0.676355  1
  Al  Al194  1  0.093327  0.530127  0.676355  1
  Al  Al195  1  0.146265  0.063255  0.635741  1
  Al  Al196  1  0.646265  0.563255  0.635741  1
  Al  Al197  1  0.712111  0.158175  0.649051  1
  Al  Al198  1  0.212111  0.658175  0.649051  1
  Al  Al199  1  0.154941  0.110512  0.696005  1
  Al  Al200  1  0.654941  0.610512  0.696005  1
  Al  Al201  1  0.601868  0.873302  0.718278  1
  Al  Al202  1  0.101868  0.373302  0.718278  1
  Al  Al203  1  0.172217  0.926266  0.674997  1
  Al  Al204  1  0.672217  0.426266  0.674997  1
  Al  Al205  1  0.715346  0.152776  0.706116  1
  Al  Al206  1  0.215346  0.652776  0.706116  1
  Al  Al207  1  0.265144  0.186656  0.657604  1
  Al  Al208  1  0.765144  0.686656  0.657604  1
  Al  Al209  1  0.957615  0.153164  0.651695  1
  Al  Al210  1  0.457615  0.653164  0.651695  1
  Al  Al211  1  0.389191  0.114992  0.697263  1
  Al  Al212  1  0.889191  0.614992  0.697263  1
  Al  Al213  1  0.050986  0.420034  0.634712  1
  Al  Al214  1  0.550986  0.920034  0.634712  1
  Al  Al215  1  0.479891  0.380881  0.685388  1
  Al  Al216  1  0.979891  0.880881  0.685388  1
  Al  Al217  1  0.982916  0.961151  0.634428  1
  Al  Al218  1  0.482916  0.461151  0.634428  1
  Al  Al219  1  0.432565  0.920961  0.679513  1
  Al  Al220  1  0.932565  0.420961  0.679513  1
  Al  Al221  1  0.941430  0.150737  0.707239  1
  Al  Al222  1  0.441430  0.650737  0.707239  1
  Al  Al223  1  0.511088  0.186452  0.660692  1
  Al  Al224  1  0.011088  0.686452  0.660692  1
  Al  Al225  1  0.683423  0.333591  0.722767  1
  Al  Al226  1  0.183423  0.833591  0.722767  1
  Al  Al227  1  0.244798  0.381596  0.678387  1
  Al  Al228  1  0.744798  0.881596  0.678387  1
  Al  Al229  1  0.833578  0.030749  0.675989  1
  Al  Al230  1  0.333578  0.530749  0.675989  1
  Al  Al231  1  0.298025  0.979160  0.718590  1
  Al  Al232  1  0.798025  0.479160  0.718590  1
  Al  Al233  1  0.077983  0.272559  0.674383  1
  Al  Al234  1  0.577983  0.772559  0.674383  1
  Al  Al235  1  0.520838  0.228356  0.717370  1
  Al  Al236  1  0.020838  0.728356  0.717370  1
  Al  Al237  1  0.821949  0.280354  0.677784  1
  Al  Al238  1  0.321949  0.780354  0.677784  1
  Al  Al239  1  0.387256  0.316797  0.635213  1
  Al  Al240  1  0.887256  0.816797  0.635213  1
  Ni  Ni241  1  0.528153  0.348544  0.313157  1
  Ni  Ni242  1  0.028153  0.848544  0.313157  1
  Ni  Ni243  1  0.961903  0.309021  0.357384  1
  Ni  Ni244  1  0.461903  0.809021  0.357384  1
  Ni  Ni245  1  0.219290  0.314866  0.350922  1
  Ni  Ni246  1  0.719290  0.814866  0.350922  1
  Ni  Ni247  1  0.788994  0.358295  0.305493  1
  Ni  Ni248  1  0.288994  0.858295  0.305493  1
  Ni  Ni249  1  0.139976  0.595870  0.313755  1
  Ni  Ni250  1  0.639976  0.095870  0.313755  1
  Ni  Ni251  1  0.663243  0.618572  0.272413  1
  Ni  Ni252  1  0.163243  0.118572  0.272413  1
  Ni  Ni253  1  0.455267  0.627857  0.277441  1
  Ni  Ni254  1  0.955267  0.127857  0.277441  1
  Ni  Ni255  1  0.871400  0.593185  0.323816  1
  Ni  Ni256  1  0.371400  0.093185  0.323816  1
  Ni  Ni257  1  0.401285  0.268609  0.402955  1
  Ni  Ni258  1  0.901285  0.768609  0.402955  1
  Ni  Ni259  1  0.838596  0.228498  0.448613  1
  Ni  Ni260  1  0.338596  0.728498  0.448613  1
  Ni  Ni261  1  0.097262  0.235607  0.441542  1
  Ni  Ni262  1  0.597262  0.735607  0.441542  1
  Ni  Ni263  1  0.660037  0.274711  0.395417  1
  Ni  Ni264  1  0.160037  0.774711  0.395417  1
  Ni  Ni265  1  1.008442  0.516325  0.406089  1
  Ni  Ni266  1  0.508442  0.016325  0.406089  1
  Ni  Ni267  1  0.569380  0.554111  0.363452  1
  Ni  Ni268  1  0.069380  0.054111  0.363452  1
  Ni  Ni269  1  0.313380  0.549818  0.368073  1
  Ni  Ni270  1  0.813380  0.049818  0.368073  1
  Ni  Ni271  1  0.749752  0.509666  0.413795  1
  Ni  Ni272  1  0.249752  0.009666  0.413795  1
  Ni  Ni273  1  0.277266  0.188985  0.494298  1
  Ni  Ni274  1  0.777266  0.688985  0.494298  1
  Ni  Ni275  1  0.714644  0.149109  0.539475  1
  Ni  Ni276  1  0.214644  0.649109  0.539475  1
  Ni  Ni277  1  0.973541  0.155299  0.532622  1
  Ni  Ni278  1  0.473541  0.655299  0.532622  1
  Ni  Ni279  1  0.535189  0.195264  0.486706  1
  Ni  Ni280  1  0.035189  0.695264  0.486706  1
  Ni  Ni281  1  0.884385  0.435649  0.497519  1
  Ni  Ni282  1  0.384385  0.935649  0.497519  1
  Ni  Ni283  1  0.447007  0.475525  0.452342  1
  Ni  Ni284  1  0.947007  0.975525  0.452342  1
  Ni  Ni285  1  0.188110  0.469335  0.459195  1
  Ni  Ni286  1  0.688110  0.969335  0.459195  1
  Ni  Ni287  1  0.626462  0.429370  0.505111  1
  Ni  Ni288  1  0.126462  0.929370  0.505111  1
  Ni  Ni289  1  0.153209  0.108309  0.585728  1
  Ni  Ni290  1  0.653209  0.608309  0.585728  1
  Ni  Ni291  1  0.592271  0.070523  0.628364  1
  Ni  Ni292  1  0.092271  0.570523  0.628364  1
  Ni  Ni293  1  0.848271  0.074815  0.623743  1
  Ni  Ni294  1  0.348271  0.574815  0.623743  1
  Ni  Ni295  1  0.411899  0.114968  0.578021  1
  Ni  Ni296  1  0.911899  0.614968  0.578021  1
  Ni  Ni297  1  0.760366  0.356025  0.588862  1
  Ni  Ni298  1  0.260366  0.856025  0.588862  1
  Ni  Ni299  1  0.323055  0.396136  0.543204  1
  Ni  Ni300  1  0.823055  0.896136  0.543204  1
  Ni  Ni301  1  0.064389  0.389027  0.550275  1
  Ni  Ni302  1  0.564389  0.889027  0.550275  1
  Ni  Ni303  1  0.501614  0.349923  0.596399  1
  Ni  Ni304  1  1.001614  0.849923  0.596399  1
  Ni  Ni305  1  0.021675  0.028764  0.678061  1
  Ni  Ni306  1  0.521675  0.528764  0.678061  1
  Ni  Ni307  1  0.498408  0.006061  0.719403  1
  Ni  Ni308  1  0.998408  0.506061  0.719403  1
  Ni  Ni309  1  0.706384  0.996777  0.714375  1
  Ni  Ni310  1  0.206384  0.496777  0.714375  1
  Ni  Ni311  1  0.290251  0.031449  0.668001  1
  Ni  Ni312  1  0.790251  0.531449  0.668001  1
  Ni  Ni313  1  0.633498  0.276090  0.678659  1
  Ni  Ni314  1  0.133498  0.776090  0.678659  1
  Ni  Ni315  1  0.199748  0.315613  0.634433  1
  Ni  Ni316  1  0.699748  0.815613  0.634433  1
  Ni  Ni317  1  0.942361  0.309768  0.640894  1
  Ni  Ni318  1  0.442361  0.809768  0.640894  1
  Ni  Ni319  1  0.372657  0.266339  0.686324  1
  Ni  Ni320  1  0.872657  0.766339  0.686324  1
