# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.96619434
_cell_length_b   9.80829741
_cell_length_c   50.95587153
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.39991695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7693.24312158
_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  0.911891  0.787405  0.338382  1
  Al  Al2  1  0.507939  0.067860  0.281976  1
  Al  Al3  1  0.212173  0.924441  0.309987  1
  Al  Al4  1  0.697669  0.181223  0.293059  1
  Al  Al5  1  0.401962  0.044701  0.327736  1
  Al  Al6  1  0.100541  0.910419  0.355817  1
  Al  Al7  1  0.760717  0.550488  0.348790  1
  Al  Al8  1  0.369992  0.808529  0.289347  1
  Al  Al9  1  0.065293  0.671861  0.321002  1
  Al  Al10  1  0.880768  0.247517  0.301919  1
  Al  Al11  1  0.577895  0.129404  0.332995  1
  Al  Al12  1  0.110844  0.426541  0.277274  1
  Al  Al13  1  0.827276  0.012309  0.335186  1
  Al  Al14  1  0.522645  0.887068  0.362491  1
  Al  Al15  1  0.121428  0.150477  0.299958  1
  Al  Al16  1  0.947707  0.714148  0.285481  1
  Al  Al17  1  0.634896  0.593876  0.314675  1
  Al  Al18  1  0.335532  0.458454  0.344755  1
  Al  Al19  1  0.786660  0.770492  0.296609  1
  Al  Al20  1  0.481428  0.652422  0.327247  1
  Al  Al21  1  0.183415  0.514254  0.357837  1
  Al  Al22  1  1.002758  0.085254  0.341381  1
  Al  Al23  1  0.594661  0.365010  0.279256  1
  Al  Al24  1  0.303725  0.223990  0.308599  1
  Al  Al25  1  0.914047  0.489421  0.337700  1
  Al  Al26  1  0.536741  0.767532  0.278466  1
  Al  Al27  1  0.221396  0.629881  0.308449  1
  Al  Al28  1  0.937522  0.003372  0.290668  1
  Al  Al29  1  0.649055  0.903671  0.317749  1
  Al  Al30  1  0.346493  0.764342  0.346138  1
  Al  Al31  1  0.796148  0.475468  0.296339  1
  Al  Al32  1  0.488689  0.346289  0.325365  1
  Al  Al33  1  0.190043  0.216557  0.354241  1
  Al  Al34  1  0.754233  0.245388  0.348184  1
  Al  Al35  1  0.347384  0.503787  0.290147  1
  Al  Al36  1  0.048999  0.366343  0.325502  1
  Al  Al37  1  0.006989  0.398744  0.431010  1
  Al  Al38  1  0.607277  0.660552  0.368683  1
  Al  Al39  1  0.308168  0.528351  0.399930  1
  Al  Al40  1  0.799733  0.787109  0.384539  1
  Al  Al41  1  0.499357  0.655418  0.415736  1
  Al  Al42  1  0.199401  0.523192  0.446705  1
  Al  Al43  1  0.859624  0.156937  0.441193  1
  Al  Al44  1  0.459946  0.419063  0.379430  1
  Al  Al45  1  0.162209  0.285866  0.411210  1
  Al  Al46  1  0.974776  0.862008  0.393343  1
  Al  Al47  1  0.675348  0.731668  0.423332  1
  Al  Al48  1  0.274321  0.993969  0.363899  1
  Al  Al49  1  0.922558  0.622251  0.423213  1
  Al  Al50  1  0.622049  0.492003  0.453287  1
  Al  Al51  1  0.223219  0.751878  0.393424  1
  Al  Al52  1  0.037131  0.322228  0.378266  1
  Al  Al53  1  0.738096  0.197103  0.405704  1
  Al  Al54  1  0.438033  0.067069  0.436747  1
  Al  Al55  1  0.884074  0.385484  0.387763  1
  Al  Al56  1  0.584854  0.256524  0.418072  1
  Al  Al57  1  0.284047  0.124325  0.448945  1
  Al  Al58  1  0.098397  0.696715  0.431794  1
  Al  Al59  1  0.697695  0.959820  0.371230  1
  Al  Al60  1  0.399214  0.830705  0.401164  1
  Al  Al61  1  0.013945  0.099267  0.429034  1
  Al  Al62  1  0.614530  0.362217  0.367259  1
  Al  Al63  1  0.313905  0.229787  0.398328  1
  Al  Al64  1  0.044689  0.627395  0.376459  1
  Al  Al65  1  0.745453  0.501684  0.405472  1
  Al  Al66  1  0.445764  0.369938  0.436151  1
  Al  Al67  1  0.890982  0.086544  0.387127  1
  Al  Al68  1  0.589669  0.957129  0.416989  1
  Al  Al69  1  0.289988  0.824791  0.447560  1
  Al  Al70  1  0.852453  0.852286  0.440973  1
  Al  Al71  1  0.452908  0.117502  0.380596  1
  Al  Al72  1  0.152865  0.979927  0.411317  1
  Al  Al73  1  0.106644  0.004011  0.521816  1
  Al  Al74  1  0.706563  0.266277  0.460698  1
  Al  Al75  1  0.407289  0.135327  0.491521  1
  Al  Al76  1  0.897356  0.392556  0.476652  1
  Al  Al77  1  0.597130  0.260737  0.507372  1
  Al  Al78  1  0.297674  0.130078  0.537884  1
  Al  Al79  1  0.958103  0.762975  0.532170  1
  Al  Al80  1  0.559250  0.025095  0.471756  1
  Al  Al81  1  0.259261  0.893715  0.502270  1
  Al  Al82  1  0.073385  0.469052  0.484766  1
  Al  Al83  1  0.772965  0.337566  0.515120  1
  Al  Al84  1  0.375235  0.600145  0.454349  1
  Al  Al85  1  0.021963  0.228392  0.514695  1
  Al  Al86  1  0.720113  0.097298  0.545112  1
  Al  Al87  1  0.322383  0.359878  0.484341  1
  Al  Al88  1  0.137245  0.934468  0.467291  1
  Al  Al89  1  0.836087  0.803728  0.497191  1
  Al  Al90  1  0.536097  0.672348  0.527705  1
  Al  Al91  1  0.983475  0.992166  0.479219  1
  Al  Al92  1  0.682664  0.861481  0.509520  1
  Al  Al93  1  0.382537  0.729939  0.540219  1
  Al  Al94  1  0.197992  0.304887  0.522809  1
  Al  Al95  1  0.797673  0.567365  0.461577  1
  Al  Al96  1  0.498218  0.436706  0.492090  1
  Al  Al97  1  0.111873  0.705278  0.520242  1
  Al  Al98  1  0.712811  0.967504  0.459242  1
  Al  Al99  1  0.412683  0.835963  0.489941  1
  Al  Al100  1  0.144594  0.238664  0.467437  1
  Al  Al101  1  0.844165  0.107989  0.497392  1
  Al  Al102  1  0.543487  0.975844  0.528029  1
  Al  Al103  1  0.988704  0.693432  0.477645  1
  Al  Al104  1  0.688059  0.562116  0.507941  1
  Al  Al105  1  0.388784  0.431167  0.538763  1
  Al  Al106  1  0.950754  0.458779  0.532024  1
  Al  Al107  1  0.551860  0.721600  0.471432  1
  Al  Al108  1  0.251183  0.589454  0.502069  1
  Al  Al109  1  0.204366  0.610900  0.612335  1
  Al  Al110  1  0.805360  0.872653  0.551901  1
  Al  Al111  1  0.505679  0.740315  0.582473  1
  Al  Al112  1  0.996951  1.000729  0.567667  1
  Al  Al113  1  0.696134  0.866739  0.598298  1
  Al  Al114  1  0.397653  0.737623  0.628231  1
  Al  Al115  1  0.058217  0.375215  0.621195  1
  Al  Al116  1  0.657315  0.630375  0.562715  1
  Al  Al117  1  0.357252  0.500341  0.593757  1
  Al  Al118  1  0.172790  0.075193  0.576248  1
  Al  Al119  1  0.872129  0.945565  0.606037  1
  Al  Al120  1  0.473299  0.205441  0.546175  1
  Al  Al121  1  0.120571  0.835435  0.606118  1
  Al  Al122  1  0.821027  0.703475  0.635562  1
  Al  Al123  1  0.420000  0.965776  0.576130  1
  Al  Al124  1  0.235724  0.540506  0.558269  1
  Al  Al125  1  0.933139  0.411577  0.588252  1
  Al  Al126  1  0.635401  0.278381  0.620031  1
  Al  Al127  1  0.081403  0.598176  0.570427  1
  Al  Al128  1  0.781443  0.467656  0.601134  1
  Al  Al129  1  0.480818  0.335227  0.632202  1
  Al  Al130  1  0.295614  0.910334  0.614922  1
  Al  Al131  1  0.895947  0.174252  0.552756  1
  Al  Al132  1  0.595991  0.042025  0.583725  1
  Al  Al133  1  0.211273  0.311959  0.611698  1
  Al  Al134  1  0.811301  0.573118  0.550516  1
  Al  Al135  1  0.510494  0.440919  0.581389  1
  Al  Al136  1  0.242895  0.845158  0.558489  1
  Al  Al137  1  0.942483  0.717516  0.588145  1
  Al  Al138  1  0.642440  0.579941  0.618866  1
  Al  Al139  1  0.088359  0.298700  0.568452  1
  Al  Al140  1  0.787180  0.169092  0.599532  1
  Al  Al141  1  0.488071  0.036892  0.630778  1
  Al  Al142  1  0.050659  0.070048  0.623003  1
  Al  Al143  1  0.649584  0.327505  0.563311  1
  Al  Al144  1  0.349895  0.195760  0.593990  1
  Al  Al145  1  0.299200  0.221976  0.703123  1
  Al  Al146  1  0.905305  0.480886  0.645220  1
  Al  Al147  1  0.606659  0.351154  0.674096  1
  Al  Al148  1  0.092590  0.612189  0.658080  1
  Al  Al149  1  0.791622  0.473454  0.690863  1
  Al  Al150  1  0.500687  0.332434  0.720205  1
  Al  Al151  1  0.147640  0.983296  0.713980  1
  Al  Al152  1  0.759815  0.238989  0.654707  1
  Al  Al153  1  0.460452  0.103567  0.684786  1
  Al  Al154  1  0.268072  0.685135  0.664275  1
  Al  Al155  1  0.973920  0.546966  0.699503  1
  Al  Al156  1  0.572703  0.810375  0.636970  1
  Al  Al157  1  0.214580  0.449927  0.697542  1
  Al  Al158  1  0.984504  0.270903  0.722188  1
  Al  Al159  1  0.517453  0.568040  0.666466  1
  Al  Al160  1  0.334631  0.146956  0.650671  1
  Al  Al161  1  0.030055  0.025582  0.678459  1
  Al  Al162  1  0.725356  0.888914  0.710114  1
  Al  Al163  1  0.181301  0.208022  0.661762  1
  Al  Al164  1  0.873952  0.067563  0.691012  1
  Al  Al165  1  0.558607  0.929911  0.720995  1
  Al  Al166  1  0.397679  0.516220  0.706402  1
  Al  Al167  1  0.994807  0.787024  0.643644  1
  Al  Al168  1  0.693386  0.652743  0.671725  1
  Al  Al169  1  0.308688  0.926951  0.702853  1
  Al  Al170  1  0.911933  0.183190  0.641624  1
  Al  Al171  1  0.613920  0.045021  0.672215  1
  Al  Al172  1  0.341115  0.452055  0.651277  1
  Al  Al173  1  0.046349  0.331100  0.673959  1
  Al  Al174  1  0.747964  0.193657  0.709314  1
  Al  Al175  1  0.183457  0.910038  0.661080  1
  Al  Al176  1  0.883174  0.773003  0.689475  1
  Al  Al177  1  0.587409  0.629584  0.717486  1
  Al  Al178  1  0.157826  0.694071  0.708793  1
  Al  Al179  1  0.748854  0.933101  0.653323  1
  Al  Al180  1  0.446293  0.793772  0.681713  1
  Ni  Ni181  1  0.736856  0.778052  0.341275  1
  Ni  Ni182  1  0.349310  0.040504  0.284700  1
  Ni  Ni183  1  0.046363  0.905771  0.311785  1
  Ni  Ni184  1  0.781177  0.010371  0.291221  1
  Ni  Ni185  1  0.493878  0.894705  0.316333  1
  Ni  Ni186  1  0.192245  0.758318  0.347299  1
  Ni  Ni187  1  0.972627  0.483153  0.293884  1
  Ni  Ni188  1  0.661622  0.364628  0.321568  1
  Ni  Ni189  1  0.359862  0.229907  0.352942  1
  Ni  Ni190  1  0.911321  0.248010  0.349015  1
  Ni  Ni191  1  0.501341  0.515903  0.289393  1
  Ni  Ni192  1  0.206088  0.382126  0.315770  1
  Ni  Ni193  1  0.834775  0.385885  0.432959  1
  Ni  Ni194  1  0.435957  0.648290  0.372422  1
  Ni  Ni195  1  0.136928  0.515067  0.403310  1
  Ni  Ni196  1  0.888340  0.626617  0.376683  1
  Ni  Ni197  1  0.588646  0.497091  0.406646  1
  Ni  Ni198  1  0.290034  0.366128  0.437937  1
  Ni  Ni199  1  0.066853  0.096375  0.384192  1
  Ni  Ni200  1  0.762569  0.967961  0.414196  1
  Ni  Ni201  1  0.461489  0.837070  0.444651  1
  Ni  Ni202  1  0.009345  0.857191  0.439751  1
  Ni  Ni203  1  0.609399  0.120679  0.378974  1
  Ni  Ni204  1  0.309544  0.988456  0.409872  1
  Ni  Ni205  1  0.933836  0.992155  0.524276  1
  Ni  Ni206  1  0.536060  0.255202  0.463531  1
  Ni  Ni207  1  0.235522  0.123212  0.494225  1
  Ni  Ni208  1  0.987572  0.233732  0.468475  1
  Ni  Ni209  1  0.687646  0.103254  0.498641  1
  Ni  Ni210  1  0.387305  0.971507  0.529481  1
  Ni  Ni211  1  0.161512  0.705289  0.475186  1
  Ni  Ni212  1  0.859826  0.574232  0.505237  1
  Ni  Ni213  1  0.559287  0.442242  0.535931  1
  Ni  Ni214  1  0.107776  0.463712  0.530986  1
  Ni  Ni215  1  0.708042  0.725937  0.469980  1
  Ni  Ni216  1  0.407702  0.594189  0.500821  1
  Ni  Ni217  1  0.028495  0.601069  0.615269  1
  Ni  Ni218  1  0.633859  0.860374  0.554810  1
  Ni  Ni219  1  0.332779  0.729482  0.585265  1
  Ni  Ni220  1  0.086003  0.840253  0.559710  1
  Ni  Ni221  1  0.785804  0.708988  0.589589  1
  Ni  Ni222  1  0.485948  0.576764  0.620487  1
  Ni  Ni223  1  0.260573  0.311559  0.566502  1
  Ni  Ni224  1  0.958420  0.182376  0.596151  1
  Ni  Ni225  1  0.659391  0.049153  0.627039  1
  Ni  Ni226  1  0.207008  0.070826  0.622779  1
  Ni  Ni227  1  0.805314  0.331315  0.561524  1
  Ni  Ni228  1  0.506702  0.200353  0.592816  1
  Ni  Ni229  1  0.122721  0.214291  0.705577  1
  Ni  Ni230  1  0.735485  0.467536  0.646520  1
  Ni  Ni231  1  0.433726  0.332815  0.677893  1
  Ni  Ni232  1  0.184027  0.449433  0.650446  1
  Ni  Ni233  1  0.889260  0.315318  0.683692  1
  Ni  Ni234  1  0.594007  0.181541  0.710068  1
  Ni  Ni235  1  0.358492  0.919391  0.658186  1
  Ni  Ni236  1  0.048985  0.791672  0.687676  1
  Ni  Ni237  1  0.746038  0.656940  0.714762  1
  Ni  Ni238  1  0.314171  0.687072  0.708240  1
  Ni  Ni239  1  0.903103  0.939126  0.652162  1
  Ni  Ni240  1  0.601470  0.802738  0.683128  1
