# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44590046
_cell_length_b   24.05435884
_cell_length_c   49.42923397
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7664.10171223
_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  0.033337  0.439167  0.351382  1
  Al  Al2  1  0.032430  0.794244  0.325456  1
  Al  Al3  1  0.021667  0.155089  0.294938  1
  Al  Al4  1  0.184928  0.534115  0.318285  1
  Al  Al5  1  0.192529  0.893505  0.286480  1
  Al  Al6  1  0.181833  0.174349  0.347148  1
  Al  Al7  1  0.180171  0.429458  0.293406  1
  Al  Al8  1  0.191208  0.703643  0.356118  1
  Al  Al9  1  0.182194  0.062920  0.325184  1
  Al  Al10  1  0.333541  0.606489  0.279750  1
  Al  Al11  1  0.324550  0.882072  0.339141  1
  Al  Al12  1  0.313120  0.243427  0.305447  1
  Al  Al13  1  0.856117  0.566135  0.280782  1
  Al  Al14  1  0.685849  0.832308  0.355813  1
  Al  Al15  1  0.672785  0.194742  0.324709  1
  Al  Al16  1  0.853605  0.726985  0.281323  1
  Al  Al17  1  0.821075  0.013132  0.340405  1
  Al  Al18  1  0.810817  0.379300  0.308404  1
  Al  Al19  1  0.690835  0.363554  0.361190  1
  Al  Al20  1  0.682784  0.722809  0.332529  1
  Al  Al21  1  0.678427  0.084369  0.300254  1
  Al  Al22  1  0.807319  0.548572  0.344257  1
  Al  Al23  1  0.820324  0.903430  0.315348  1
  Al  Al24  1  0.833721  0.266040  0.285278  1
  Al  Al25  1  0.330187  0.714863  0.300998  1
  Al  Al26  1  0.304746  0.072900  0.272571  1
  Al  Al27  1  0.323551  0.354458  0.333715  1
  Al  Al28  1  0.529338  0.458087  0.328977  1
  Al  Al29  1  0.545337  0.817488  0.299073  1
  Al  Al30  1  0.528085  0.099322  0.356153  1
  Al  Al31  1  0.994735  0.643606  0.316950  1
  Al  Al32  1  0.962030  0.998983  0.285150  1
  Al  Al33  1  0.972732  0.280713  0.340839  1
  Al  Al34  1  0.463816  0.618973  0.339811  1
  Al  Al35  1  0.473928  0.976792  0.308888  1
  Al  Al36  1  0.465636  0.339466  0.281000  1
  Al  Al37  1  0.026724  0.354200  0.443942  1
  Al  Al38  1  0.031584  0.715629  0.414356  1
  Al  Al39  1  0.028714  0.076593  0.382587  1
  Al  Al40  1  0.175959  0.451802  0.408343  1
  Al  Al41  1  0.187185  0.812234  0.378898  1
  Al  Al42  1  0.182869  0.091310  0.438424  1
  Al  Al43  1  0.173281  0.343207  0.384460  1
  Al  Al44  1  0.180080  0.621677  0.446007  1
  Al  Al45  1  0.181120  0.982525  0.414960  1
  Al  Al46  1  0.331369  0.522467  0.369935  1
  Al  Al47  1  0.325606  0.802214  0.430958  1
  Al  Al48  1  0.324957  0.162832  0.398996  1
  Al  Al49  1  0.693918  0.472870  0.385028  1
  Al  Al50  1  0.685091  0.750800  0.447607  1
  Al  Al51  1  0.683014  0.111025  0.416196  1
  Al  Al52  1  0.824270  0.653173  0.371792  1
  Al  Al53  1  0.824418  0.930866  0.432084  1
  Al  Al54  1  0.817527  0.291227  0.400799  1
  Al  Al55  1  0.682175  0.280404  0.453345  1
  Al  Al56  1  0.686563  0.641742  0.423896  1
  Al  Al57  1  0.685043  1.002029  0.392615  1
  Al  Al58  1  0.819042  0.461236  0.438277  1
  Al  Al59  1  0.825343  0.822279  0.408323  1
  Al  Al60  1  0.818946  0.183084  0.376572  1
  Al  Al61  1  0.328400  0.631560  0.394594  1
  Al  Al62  1  0.325254  0.991201  0.363198  1
  Al  Al63  1  0.323953  0.271413  0.422883  1
  Al  Al64  1  0.524598  0.378563  0.416980  1
  Al  Al65  1  0.533943  0.739113  0.388264  1
  Al  Al66  1  0.528104  0.017493  0.448137  1
  Al  Al67  1  0.979390  0.558486  0.402503  1
  Al  Al68  1  0.977892  0.918299  0.371531  1
  Al  Al69  1  0.978053  0.197706  0.432322  1
  Al  Al70  1  0.476794  0.534578  0.428886  1
  Al  Al71  1  0.479595  0.895551  0.398534  1
  Al  Al72  1  0.472956  0.258172  0.366758  1
  Al  Al73  1  0.027228  0.271802  0.535361  1
  Al  Al74  1  0.028106  0.633288  0.505706  1
  Al  Al75  1  0.028815  0.994055  0.474890  1
  Al  Al76  1  0.183210  0.369088  0.499246  1
  Al  Al77  1  0.181886  0.730635  0.469860  1
  Al  Al78  1  0.183413  0.008878  0.530476  1
  Al  Al79  1  0.182016  0.260446  0.475295  1
  Al  Al80  1  0.183142  0.539490  0.536544  1
  Al  Al81  1  0.182196  0.900358  0.506624  1
  Al  Al82  1  0.324029  0.440973  0.460267  1
  Al  Al83  1  0.325072  0.720166  0.521942  1
  Al  Al84  1  0.323514  0.080320  0.490947  1
  Al  Al85  1  0.680930  0.389082  0.477285  1
  Al  Al86  1  0.681973  0.668276  0.538959  1
  Al  Al87  1  0.682488  0.028928  0.508279  1
  Al  Al88  1  0.822861  0.569758  0.462682  1
  Al  Al89  1  0.823987  0.848803  0.523931  1
  Al  Al90  1  0.823807  0.208890  0.492602  1
  Al  Al91  1  0.681451  0.198150  0.544989  1
  Al  Al92  1  0.681931  0.559430  0.514759  1
  Al  Al93  1  0.683966  0.920321  0.484505  1
  Al  Al94  1  0.824117  0.378614  0.529367  1
  Al  Al95  1  0.822793  0.740160  0.499981  1
  Al  Al96  1  0.822590  0.100371  0.468750  1
  Al  Al97  1  0.324071  0.549819  0.484467  1
  Al  Al98  1  0.324552  0.911099  0.454237  1
  Al  Al99  1  0.322037  0.188927  0.514722  1
  Al  Al100  1  0.527988  0.295355  0.508842  1
  Al  Al101  1  0.527812  0.657030  0.478932  1
  Al  Al102  1  0.528564  0.935357  0.540005  1
  Al  Al103  1  0.977897  0.475960  0.493520  1
  Al  Al104  1  0.978775  0.837446  0.463865  1
  Al  Al105  1  0.977187  0.115194  0.524336  1
  Al  Al106  1  0.478190  0.452218  0.520294  1
  Al  Al107  1  0.478014  0.813894  0.490384  1
  Al  Al108  1  0.477438  0.173892  0.459221  1
  Al  Al109  1  0.028111  0.190949  0.627695  1
  Al  Al110  1  0.026613  0.550762  0.596724  1
  Al  Al111  1  0.027950  0.911543  0.566904  1
  Al  Al112  1  0.180659  0.286969  0.590903  1
  Al  Al113  1  0.186961  0.648013  0.560949  1
  Al  Al114  1  0.187057  0.926165  0.622654  1
  Al  Al115  1  0.181585  0.178382  0.567143  1
  Al  Al116  1  0.181732  0.456076  0.627434  1
  Al  Al117  1  0.188475  0.818021  0.598428  1
  Al  Al118  1  0.320911  0.358449  0.551620  1
  Al  Al119  1  0.312085  0.636378  0.614198  1
  Al  Al120  1  0.322988  0.998224  0.583030  1
  Al  Al121  1  0.680396  0.307034  0.568268  1
  Al  Al122  1  0.674633  0.586781  0.629291  1
  Al  Al123  1  0.681046  0.946416  0.600230  1
  Al  Al124  1  0.825923  0.487571  0.553219  1
  Al  Al125  1  0.832722  0.766042  0.614767  1
  Al  Al126  1  0.824882  0.126723  0.584266  1
  Al  Al127  1  0.680749  0.118047  0.636028  1
  Al  Al128  1  0.677603  0.477689  0.604632  1
  Al  Al129  1  0.682049  0.837835  0.576343  1
  Al  Al130  1  0.818818  0.297015  0.620328  1
  Al  Al131  1  0.830044  0.657446  0.590883  1
  Al  Al132  1  0.823134  0.017939  0.560802  1
  Al  Al133  1  0.319439  0.467506  0.575330  1
  Al  Al134  1  0.323828  0.828845  0.545881  1
  Al  Al135  1  0.320959  0.107219  0.606611  1
  Al  Al136  1  0.526407  0.213698  0.600693  1
  Al  Al137  1  0.529209  0.574670  0.570341  1
  Al  Al138  1  0.533047  0.851077  0.632469  1
  Al  Al139  1  0.974419  0.393619  0.584870  1
  Al  Al140  1  0.979279  0.755048  0.555284  1
  Al  Al141  1  0.977289  0.032655  0.616639  1
  Al  Al142  1  0.472059  0.370135  0.610962  1
  Al  Al143  1  0.481405  0.730686  0.582247  1
  Al  Al144  1  0.477899  0.091755  0.551089  1
  Al  Al145  1  0.043972  0.110266  0.714077  1
  Al  Al146  1  0.011267  0.465643  0.682276  1
  Al  Al147  1  0.033271  0.828535  0.658387  1
  Al  Al148  1  0.185679  0.205819  0.683879  1
  Al  Al149  1  0.198683  0.560676  0.654969  1
  Al  Al150  1  0.172281  0.843209  0.713949  1
  Al  Al151  1  0.184928  0.096117  0.658822  1
  Al  Al152  1  0.152398  0.382263  0.717903  1
  Al  Al153  1  0.195185  0.729948  0.690823  1
  Al  Al154  1  0.320153  0.276940  0.643414  1
  Al  Al155  1  0.149886  0.543114  0.718444  1
  Al  Al156  1  0.333218  0.914506  0.674518  1
  Al  Al157  1  0.681452  0.227176  0.660085  1
  Al  Al158  1  0.672461  0.502759  0.719476  1
  Al  Al159  1  0.692882  0.865822  0.693779  1
  Al  Al160  1  0.814795  0.405605  0.643109  1
  Al  Al161  1  0.825832  0.679790  0.705821  1
  Al  Al162  1  0.823809  0.046329  0.674042  1
  Al  Al163  1  0.701257  0.036348  0.726656  1
  Al  Al164  1  0.675815  0.394385  0.698228  1
  Al  Al165  1  0.682452  0.754790  0.665511  1
  Al  Al166  1  0.813473  0.215743  0.712746  1
  Al  Al167  1  0.821074  0.575134  0.680942  1
  Al  Al168  1  0.824170  0.934899  0.652078  1
  Al  Al169  1  0.323219  0.386440  0.666698  1
  Al  Al170  1  0.315168  0.745695  0.638036  1
  Al  Al171  1  0.327575  0.024880  0.698972  1
  Al  Al172  1  0.532075  0.132456  0.690339  1
  Al  Al173  1  0.542187  0.490276  0.659415  1
  Al  Al174  1  0.540367  0.769783  0.718226  1
  Al  Al175  1  0.973572  0.315005  0.673770  1
  Al  Al176  1  0.972666  0.670082  0.647844  1
  Al  Al177  1  0.984335  0.954160  0.704289  1
  Al  Al178  1  0.460665  0.291760  0.700153  1
  Al  Al179  1  0.476665  0.651162  0.670249  1
  Al  Al180  1  0.477918  0.009927  0.643073  1
  Ni  Ni181  1  0.864236  0.481065  0.308671  1
  Ni  Ni182  1  0.900895  0.828849  0.283587  1
  Ni  Ni183  1  0.880871  0.115565  0.338994  1
  Ni  Ni184  1  0.558359  0.547730  0.307259  1
  Ni  Ni185  1  0.388342  0.780659  0.340304  1
  Ni  Ni186  1  0.381014  0.140928  0.309152  1
  Ni  Ni187  1  0.117061  0.599006  0.357636  1
  Ni  Ni188  1  0.119479  0.959882  0.325170  1
  Ni  Ni189  1  0.110628  0.326653  0.297566  1
  Ni  Ni190  1  0.644328  0.645987  0.298919  1
  Ni  Ni191  1  0.623437  0.933678  0.354727  1
  Ni  Ni192  1  0.617817  0.296325  0.322944  1
  Ni  Ni193  1  0.879033  0.393077  0.401064  1
  Ni  Ni194  1  0.888013  0.754186  0.371023  1
  Ni  Ni195  1  0.883937  0.032640  0.431574  1
  Ni  Ni196  1  0.388271  0.420343  0.371326  1
  Ni  Ni197  1  0.386785  0.700181  0.431408  1
  Ni  Ni198  1  0.384695  0.060808  0.399594  1
  Ni  Ni199  1  0.120060  0.519570  0.445834  1
  Ni  Ni200  1  0.123553  0.880905  0.415417  1
  Ni  Ni201  1  0.118267  0.241403  0.384355  1
  Ni  Ni202  1  0.626730  0.573977  0.386129  1
  Ni  Ni203  1  0.623419  0.852453  0.447173  1
  Ni  Ni204  1  0.621541  0.212435  0.416002  1
  Ni  Ni205  1  0.884206  0.310599  0.492116  1
  Ni  Ni206  1  0.883971  0.671907  0.462800  1
  Ni  Ni207  1  0.884664  0.950434  0.523442  1
  Ni  Ni208  1  0.383574  0.339117  0.460296  1
  Ni  Ni209  1  0.384765  0.618239  0.521876  1
  Ni  Ni210  1  0.384863  0.978759  0.491577  1
  Ni  Ni211  1  0.122032  0.437341  0.536427  1
  Ni  Ni212  1  0.121796  0.798650  0.507110  1
  Ni  Ni213  1  0.121338  0.158815  0.475785  1
  Ni  Ni214  1  0.621238  0.491010  0.477351  1
  Ni  Ni215  1  0.622428  0.770131  0.538931  1
  Ni  Ni216  1  0.621139  0.130489  0.507649  1
  Ni  Ni217  1  0.882449  0.228343  0.583809  1
  Ni  Ni218  1  0.885943  0.589679  0.553392  1
  Ni  Ni219  1  0.887735  0.867846  0.614871  1
  Ni  Ni220  1  0.382583  0.256795  0.552053  1
  Ni  Ni221  1  0.379273  0.535271  0.613097  1
  Ni  Ni222  1  0.384461  0.896813  0.583224  1
  Ni  Ni223  1  0.117990  0.355062  0.628203  1
  Ni  Ni224  1  0.126969  0.716172  0.598162  1
  Ni  Ni225  1  0.122066  0.076608  0.567652  1
  Ni  Ni226  1  0.619217  0.409068  0.567818  1
  Ni  Ni227  1  0.617732  0.688905  0.627900  1
  Ni  Ni228  1  0.621308  0.048441  0.599633  1
  Ni  Ni229  1  0.886523  0.149367  0.674057  1
  Ni  Ni230  1  0.888942  0.510243  0.641590  1
  Ni  Ni231  1  0.895375  0.782596  0.701660  1
  Ni  Ni232  1  0.382565  0.175570  0.644499  1
  Ni  Ni233  1  0.361675  0.463262  0.700308  1
  Ni  Ni234  1  0.388186  0.812924  0.676283  1
  Ni  Ni235  1  0.105107  0.280400  0.715640  1
  Ni  Ni236  1  0.141767  0.628183  0.690556  1
  Ni  Ni237  1  0.125132  0.993684  0.660232  1
  Ni  Ni238  1  0.617661  0.328590  0.658922  1
  Ni  Ni239  1  0.447643  0.561519  0.691967  1
  Ni  Ni240  1  0.624988  0.968321  0.690075  1
