# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.78586755
_cell_length_b   9.94770570
_cell_length_c   51.46670144
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.43421761
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7790.51567783
_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  0.926807  0.845835  0.338525  1
  Al  Al2  1  0.525380  0.103665  0.282185  1
  Al  Al3  1  0.225872  0.965284  0.308661  1
  Al  Al4  1  0.711874  0.220646  0.296926  1
  Al  Al5  1  0.418707  0.099632  0.325529  1
  Al  Al6  1  0.121196  0.971387  0.355790  1
  Al  Al7  1  0.780437  0.595405  0.349586  1
  Al  Al8  1  0.379435  0.847919  0.290703  1
  Al  Al9  1  0.077117  0.717349  0.321275  1
  Al  Al10  1  0.892059  0.287872  0.302814  1
  Al  Al11  1  0.589751  0.171824  0.333242  1
  Al  Al12  1  0.294651  0.042849  0.361735  1
  Al  Al13  1  0.844617  0.065112  0.334041  1
  Al  Al14  1  0.444073  0.320313  0.277224  1
  Al  Al15  1  0.141158  0.195243  0.303030  1
  Al  Al16  1  0.955942  0.760667  0.289344  1
  Al  Al17  1  0.657848  0.640430  0.315976  1
  Al  Al18  1  0.358805  0.511223  0.346373  1
  Al  Al19  1  0.801498  0.812766  0.297459  1
  Al  Al20  1  0.503617  0.691062  0.327694  1
  Al  Al21  1  0.206112  0.564602  0.356809  1
  Al  Al22  1  0.019812  0.133284  0.340669  1
  Al  Al23  1  0.622310  0.401477  0.280842  1
  Al  Al24  1  0.316151  0.256345  0.311446  1
  Al  Al25  1  0.932496  0.542719  0.338601  1
  Al  Al26  1  0.546414  0.806977  0.280958  1
  Al  Al27  1  0.231264  0.669211  0.308034  1
  Al  Al28  1  0.952015  0.051975  0.291496  1
  Al  Al29  1  0.664837  0.946364  0.317695  1
  Al  Al30  1  0.366736  0.816243  0.344036  1
  Al  Al31  1  0.811433  0.514453  0.298437  1
  Al  Al32  1  0.511573  0.395786  0.326593  1
  Al  Al33  1  0.213008  0.267066  0.356102  1
  Al  Al34  1  0.772789  0.289328  0.349380  1
  Al  Al35  1  0.370875  0.544391  0.293893  1
  Al  Al36  1  0.069904  0.414454  0.321983  1
  Al  Al37  1  0.029558  0.462840  0.429903  1
  Al  Al38  1  0.625989  0.716312  0.368623  1
  Al  Al39  1  0.327125  0.589915  0.399626  1
  Al  Al40  1  0.822072  0.845533  0.386762  1
  Al  Al41  1  0.522262  0.719659  0.416862  1
  Al  Al42  1  0.223091  0.592211  0.447147  1
  Al  Al43  1  0.883510  0.217218  0.441501  1
  Al  Al44  1  0.480590  0.471615  0.380153  1
  Al  Al45  1  0.181828  0.344230  0.410727  1
  Al  Al46  1  0.997313  0.916181  0.393179  1
  Al  Al47  1  0.697311  0.790403  0.423976  1
  Al  Al48  1  0.398251  0.663616  0.454393  1
  Al  Al49  1  0.949766  0.688946  0.423817  1
  Al  Al50  1  0.547818  0.941402  0.363905  1
  Al  Al51  1  0.248369  0.815839  0.393387  1
  Al  Al52  1  0.062535  0.386304  0.375923  1
  Al  Al53  1  0.765167  0.261793  0.406277  1
  Al  Al54  1  0.465283  0.134900  0.436989  1
  Al  Al55  1  0.908455  0.440288  0.387207  1
  Al  Al56  1  0.610857  0.314325  0.418126  1
  Al  Al57  1  0.311725  0.186989  0.448493  1
  Al  Al58  1  0.124772  0.758832  0.431094  1
  Al  Al59  1  0.722794  0.011428  0.370775  1
  Al  Al60  1  0.423117  0.885946  0.400920  1
  Al  Al61  1  0.037330  0.164436  0.429864  1
  Al  Al62  1  0.634349  0.418605  0.369055  1
  Al  Al63  1  0.334727  0.292197  0.399132  1
  Al  Al64  1  0.069018  0.691266  0.374537  1
  Al  Al65  1  0.770682  0.566309  0.405274  1
  Al  Al66  1  0.471856  0.439569  0.435725  1
  Al  Al67  1  0.916959  0.140667  0.387457  1
  Al  Al68  1  0.617955  0.016233  0.418033  1
  Al  Al69  1  0.318628  0.889499  0.448094  1
  Al  Al70  1  0.877029  0.912169  0.442884  1
  Al  Al71  1  0.474813  0.165105  0.381535  1
  Al  Al72  1  0.175800  0.038168  0.412350  1
  Al  Al73  1  0.134294  0.083394  0.521584  1
  Al  Al74  1  0.731440  0.336383  0.460459  1
  Al  Al75  1  0.432722  0.210067  0.490976  1
  Al  Al76  1  0.924749  0.465247  0.477752  1
  Al  Al77  1  0.626174  0.338609  0.508263  1
  Al  Al78  1  0.327731  0.212420  0.538769  1
  Al  Al79  1  0.987831  0.836820  0.532754  1
  Al  Al80  1  0.584764  0.090797  0.471848  1
  Al  Al81  1  0.286256  0.963830  0.502170  1
  Al  Al82  1  0.099957  0.536566  0.484900  1
  Al  Al83  1  0.801301  0.409645  0.515461  1
  Al  Al84  1  0.502858  0.282857  0.545980  1
  Al  Al85  1  0.054502  0.308275  0.515532  1
  Al  Al86  1  0.651600  0.561984  0.454453  1
  Al  Al87  1  0.353158  0.435196  0.484972  1
  Al  Al88  1  0.166628  0.008021  0.467679  1
  Al  Al89  1  0.868203  0.881011  0.498263  1
  Al  Al90  1  0.569695  0.754044  0.528584  1
  Al  Al91  1  0.013042  0.060380  0.479187  1
  Al  Al92  1  0.714777  0.933723  0.509658  1
  Al  Al93  1  0.415901  0.807193  0.539961  1
  Al  Al94  1  0.229709  0.379594  0.522681  1
  Al  Al95  1  0.826728  0.632421  0.461664  1
  Al  Al96  1  0.528285  0.506232  0.492169  1
  Al  Al97  1  0.141416  0.784461  0.521246  1
  Al  Al98  1  0.738558  0.037648  0.460471  1
  Al  Al99  1  0.439682  0.911118  0.490775  1
  Al  Al100  1  0.173516  0.312907  0.466296  1
  Al  Al101  1  0.874974  0.186156  0.496906  1
  Al  Al102  1  0.576206  0.058989  0.527270  1
  Al  Al103  1  0.020165  0.761447  0.478849  1
  Al  Al104  1  0.721737  0.634774  0.509457  1
  Al  Al105  1  0.423018  0.508458  0.539974  1
  Al  Al106  1  0.980943  0.531934  0.534137  1
  Al  Al107  1  0.578253  0.785851  0.473162  1
  Al  Al108  1  0.279485  0.658685  0.503527  1
  Al  Al109  1  0.237500  0.704174  0.612975  1
  Al  Al110  1  0.835831  0.955342  0.552339  1
  Al  Al111  1  0.536504  0.828608  0.582399  1
  Al  Al112  1  0.029687  0.086009  0.569339  1
  Al  Al113  1  0.731342  0.958895  0.599513  1
  Al  Al114  1  0.431665  0.833413  0.629658  1
  Al  Al115  1  0.091924  0.458537  0.624510  1
  Al  Al116  1  0.689176  0.709940  0.563444  1
  Al  Al117  1  0.389292  0.583048  0.594155  1
  Al  Al118  1  0.204693  0.155895  0.576616  1
  Al  Al119  1  0.906090  0.029002  0.607046  1
  Al  Al120  1  0.606641  0.903439  0.636528  1
  Al  Al121  1  0.157146  0.928660  0.607254  1
  Al  Al122  1  0.756208  0.181225  0.546039  1
  Al  Al123  1  0.457148  0.054438  0.576457  1
  Al  Al124  1  0.270948  0.627623  0.558932  1
  Al  Al125  1  0.972631  0.500611  0.589705  1
  Al  Al126  1  0.673869  0.373226  0.620280  1
  Al  Al127  1  0.117129  0.680405  0.570568  1
  Al  Al128  1  0.819732  0.552644  0.601300  1
  Al  Al129  1  0.520110  0.426236  0.631378  1
  Al  Al130  1  0.332387  0.999308  0.613671  1
  Al  Al131  1  0.931368  0.252630  0.553285  1
  Al  Al132  1  0.632197  0.125182  0.583571  1
  Al  Al133  1  0.246004  0.404553  0.613226  1
  Al  Al134  1  0.842734  0.657852  0.551939  1
  Al  Al135  1  0.543602  0.530516  0.582306  1
  Al  Al136  1  0.277430  0.932672  0.557549  1
  Al  Al137  1  0.978659  0.806673  0.588083  1
  Al  Al138  1  0.679646  0.679736  0.618898  1
  Al  Al139  1  0.124901  0.382001  0.570529  1
  Al  Al140  1  0.827334  0.254926  0.600807  1
  Al  Al141  1  0.528469  0.128529  0.631810  1
  Al  Al142  1  0.085440  0.153575  0.625896  1
  Al  Al143  1  0.682603  0.405272  0.564707  1
  Al  Al144  1  0.383776  0.278532  0.595158  1
  Al  Al145  1  0.343025  0.330387  0.701996  1
  Al  Al146  1  0.941451  0.577775  0.644331  1
  Al  Al147  1  0.642886  0.449055  0.673839  1
  Al  Al148  1  0.134646  0.711557  0.659764  1
  Al  Al149  1  0.838307  0.588495  0.688987  1
  Al  Al150  1  0.532149  0.443364  0.719591  1
  Al  Al151  1  0.198516  0.084174  0.711089  1
  Al  Al152  1  0.795654  0.333618  0.654060  1
  Al  Al153  1  0.496610  0.204411  0.684457  1
  Al  Al154  1  0.309842  0.779729  0.666391  1
  Al  Al155  1  0.013301  0.649598  0.697403  1
  Al  Al156  1  0.710386  0.524528  0.723209  1
  Al  Al157  1  0.262400  0.556968  0.697618  1
  Al  Al158  1  0.859808  0.801992  0.638698  1
  Al  Al159  1  0.564708  0.673017  0.667191  1
  Al  Al160  1  0.374021  0.249436  0.650846  1
  Al  Al161  1  0.077342  0.127492  0.679158  1
  Al  Al162  1  0.775023  0.996922  0.709729  1
  Al  Al163  1  0.221963  0.302122  0.661831  1
  Al  Al164  1  0.923195  0.175630  0.692398  1
  Al  Al165  1  0.608045  0.037864  0.719475  1
  Al  Al166  1  0.442585  0.624195  0.703507  1
  Al  Al167  1  0.033263  0.873454  0.644643  1
  Al  Al168  1  0.735752  0.745209  0.674904  1
  Al  Al169  1  0.352961  0.032075  0.702973  1
  Al  Al170  1  0.948347  0.280239  0.643624  1
  Al  Al171  1  0.650841  0.153779  0.672738  1
  Al  Al172  1  0.381670  0.555513  0.651052  1
  Al  Al173  1  0.084555  0.430387  0.678449  1
  Al  Al174  1  0.783584  0.300450  0.706540  1
  Al  Al175  1  0.227652  0.999006  0.661907  1
  Al  Al176  1  0.928587  0.879557  0.691771  1
  Al  Al177  1  0.629078  0.741175  0.718247  1
  Al  Al178  1  0.202444  0.792866  0.708936  1
  Al  Al179  1  0.787722  0.028598  0.656396  1
  Al  Al180  1  0.489621  0.898476  0.682738  1
  Ni  Ni181  1  0.758532  0.828105  0.342594  1
  Ni  Ni182  1  0.357199  0.079898  0.281412  1
  Ni  Ni183  1  0.062007  0.953110  0.311528  1
  Ni  Ni184  1  0.794474  0.052901  0.287885  1
  Ni  Ni185  1  0.506573  0.935681  0.318045  1
  Ni  Ni186  1  0.209296  0.808041  0.346786  1
  Ni  Ni187  1  0.979007  0.526510  0.293841  1
  Ni  Ni188  1  0.679078  0.406538  0.324438  1
  Ni  Ni189  1  0.383897  0.279905  0.354339  1
  Ni  Ni190  1  0.931947  0.298850  0.348961  1
  Ni  Ni191  1  0.527749  0.556893  0.288759  1
  Ni  Ni192  1  0.229917  0.426780  0.317676  1
  Ni  Ni193  1  0.861800  0.451456  0.432893  1
  Ni  Ni194  1  0.456884  0.704734  0.372527  1
  Ni  Ni195  1  0.159562  0.577986  0.402348  1
  Ni  Ni196  1  0.910489  0.684700  0.376750  1
  Ni  Ni197  1  0.611254  0.558401  0.407464  1
  Ni  Ni198  1  0.312515  0.430846  0.438039  1
  Ni  Ni199  1  0.086064  0.153101  0.384544  1
  Ni  Ni200  1  0.786646  0.027498  0.415157  1
  Ni  Ni201  1  0.487345  0.900818  0.445456  1
  Ni  Ni202  1  0.036074  0.920786  0.440396  1
  Ni  Ni203  1  0.634855  0.175485  0.379410  1
  Ni  Ni204  1  0.334902  0.049205  0.409258  1
  Ni  Ni205  1  0.965718  0.071119  0.524677  1
  Ni  Ni206  1  0.562933  0.324933  0.463498  1
  Ni  Ni207  1  0.264456  0.198196  0.494018  1
  Ni  Ni208  1  0.014313  0.304226  0.468550  1
  Ni  Ni209  1  0.715575  0.177421  0.499066  1
  Ni  Ni210  1  0.416908  0.050946  0.529440  1
  Ni  Ni211  1  0.188741  0.773722  0.475756  1
  Ni  Ni212  1  0.890003  0.646645  0.506415  1
  Ni  Ni213  1  0.591526  0.519908  0.536935  1
  Ni  Ni214  1  0.140145  0.540614  0.531882  1
  Ni  Ni215  1  0.737550  0.793895  0.470993  1
  Ni  Ni216  1  0.438884  0.667420  0.501367  1
  Ni  Ni217  1  0.068395  0.691740  0.615889  1
  Ni  Ni218  1  0.667114  0.944023  0.554977  1
  Ni  Ni219  1  0.367813  0.817343  0.585275  1
  Ni  Ni220  1  0.118385  0.924055  0.560036  1
  Ni  Ni221  1  0.819557  0.795636  0.591175  1
  Ni  Ni222  1  0.519603  0.669356  0.621023  1
  Ni  Ni223  1  0.292659  0.393384  0.567540  1
  Ni  Ni224  1  0.994897  0.266855  0.598085  1
  Ni  Ni225  1  0.697574  0.140107  0.627905  1
  Ni  Ni226  1  0.243970  0.160141  0.623683  1
  Ni  Ni227  1  0.841944  0.413995  0.562394  1
  Ni  Ni228  1  0.543205  0.286440  0.592969  1
  Ni  Ni229  1  0.175451  0.318331  0.706591  1
  Ni  Ni230  1  0.770561  0.564936  0.646094  1
  Ni  Ni231  1  0.475381  0.438303  0.675995  1
  Ni  Ni232  1  0.222511  0.545991  0.651471  1
  Ni  Ni233  1  0.924541  0.418061  0.682757  1
  Ni  Ni234  1  0.626710  0.287948  0.711674  1
  Ni  Ni235  1  0.395927  0.016736  0.657839  1
  Ni  Ni236  1  0.092452  0.891731  0.688904  1
  Ni  Ni237  1  0.797259  0.764942  0.719021  1
  Ni  Ni238  1  0.359985  0.791940  0.712548  1
  Ni  Ni239  1  0.945163  0.036800  0.653646  1
  Ni  Ni240  1  0.647885  0.909160  0.682388  1
