# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59959490
_cell_length_b   21.47544909
_cell_length_c   47.67428819
_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   7780.6685373
_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  0.750682  0.013338  0.297618  1
  Al  Al2  1  0.750682  0.657701  0.327272  1
  Al  Al3  1  0.750682  0.286359  0.354316  1
  Al  Al4  1  0.548614  0.922862  0.334455  1
  Al  Al5  1  0.546636  0.666701  0.279820  1
  Al  Al6  1  0.548560  0.291345  0.302615  1
  Al  Al7  1  0.952749  0.922862  0.334455  1
  Al  Al8  1  0.954728  0.666701  0.279820  1
  Al  Al9  1  0.952803  0.291345  0.302615  1
  Al  Al10  1  0.457048  0.938359  0.281194  1
  Al  Al11  1  0.456021  0.565907  0.309833  1
  Al  Al12  1  0.455617  0.202089  0.339657  1
  Al  Al13  1  0.539836  0.765137  0.323100  1
  Al  Al14  1  0.547305  0.396377  0.353923  1
  Al  Al15  1  0.546970  0.130727  0.294995  1
  Al  Al16  1  0.046678  0.674898  0.361276  1
  Al  Al17  1  0.044954  0.415862  0.301090  1
  Al  Al18  1  0.047385  0.041867  0.332025  1
  Al  Al19  1  0.961528  0.765137  0.323100  1
  Al  Al20  1  0.954059  0.396377  0.353923  1
  Al  Al21  1  0.954394  0.130727  0.294995  1
  Al  Al22  1  0.454686  0.674898  0.361276  1
  Al  Al23  1  0.456409  0.415862  0.301090  1
  Al  Al24  1  0.453978  0.041867  0.332025  1
  Al  Al25  1  0.044316  0.938359  0.281194  1
  Al  Al26  1  0.045343  0.565907  0.309833  1
  Al  Al27  1  0.045747  0.202089  0.339657  1
  Al  Al28  1  0.750682  0.863638  0.295382  1
  Al  Al29  1  0.750682  0.489724  0.323503  1
  Al  Al30  1  0.750682  0.121396  0.352053  1
  Al  Al31  1  0.250682  0.675177  0.311652  1
  Al  Al32  1  0.250682  0.311711  0.338327  1
  Al  Al33  1  0.250682  0.045563  0.282959  1
  Al  Al34  1  0.250682  0.843984  0.312646  1
  Al  Al35  1  0.250682  0.475253  0.341193  1
  Al  Al36  1  0.250682  0.216337  0.290027  1
  Al  Al37  1  0.750682  0.916655  0.385819  1
  Al  Al38  1  0.750682  0.549868  0.416179  1
  Al  Al39  1  0.750682  0.185405  0.446599  1
  Al  Al40  1  0.549208  0.820694  0.423355  1
  Al  Al41  1  0.549696  0.554719  0.362690  1
  Al  Al42  1  0.549384  0.188110  0.393103  1
  Al  Al43  1  0.952155  0.820694  0.423355  1
  Al  Al44  1  0.951668  0.554719  0.362690  1
  Al  Al45  1  0.951980  0.188110  0.393103  1
  Al  Al46  1  0.452806  0.832632  0.369036  1
  Al  Al47  1  0.451812  0.466057  0.399224  1
  Al  Al48  1  0.452526  0.100862  0.430643  1
  Al  Al49  1  0.547898  0.663358  0.416178  1
  Al  Al50  1  0.548994  0.297737  0.446070  1
  Al  Al51  1  0.547161  0.029957  0.386218  1
  Al  Al52  1  0.048374  0.575405  0.453527  1
  Al  Al53  1  0.047042  0.309017  0.391232  1
  Al  Al54  1  0.049316  0.941423  0.423312  1
  Al  Al55  1  0.953466  0.663358  0.416178  1
  Al  Al56  1  0.952369  0.297737  0.446070  1
  Al  Al57  1  0.954203  0.029957  0.386218  1
  Al  Al58  1  0.452990  0.575405  0.453527  1
  Al  Al59  1  0.454322  0.309017  0.391232  1
  Al  Al60  1  0.452047  0.941423  0.423312  1
  Al  Al61  1  0.048557  0.832632  0.369036  1
  Al  Al62  1  0.049551  0.466057  0.399224  1
  Al  Al63  1  0.048838  0.100862  0.430643  1
  Al  Al64  1  0.750682  0.753619  0.382269  1
  Al  Al65  1  0.750682  0.388693  0.413572  1
  Al  Al66  1  0.750682  0.021765  0.444584  1
  Al  Al67  1  0.250682  0.579028  0.400127  1
  Al  Al68  1  0.250682  0.212743  0.430208  1
  Al  Al69  1  0.250682  0.944759  0.370095  1
  Al  Al70  1  0.250682  0.740957  0.401988  1
  Al  Al71  1  0.250682  0.375184  0.431822  1
  Al  Al72  1  0.250682  0.108944  0.372667  1
  Al  Al73  1  0.750682  0.817714  0.477192  1
  Al  Al74  1  0.750682  0.451474  0.507957  1
  Al  Al75  1  0.750682  0.085962  0.538470  1
  Al  Al76  1  0.547978  0.721388  0.515489  1
  Al  Al77  1  0.547985  0.454747  0.453917  1
  Al  Al78  1  0.548432  0.089212  0.484920  1
  Al  Al79  1  0.953386  0.721388  0.515489  1
  Al  Al80  1  0.953378  0.454747  0.453917  1
  Al  Al81  1  0.952932  0.089212  0.484920  1
  Al  Al82  1  0.452612  0.733678  0.461065  1
  Al  Al83  1  0.451889  0.367334  0.491344  1
  Al  Al84  1  0.451101  1.001075  0.521850  1
  Al  Al85  1  0.549475  0.564295  0.507909  1
  Al  Al86  1  0.548752  0.197951  0.538188  1
  Al  Al87  1  0.550262  0.930554  0.477404  1
  Al  Al88  1  0.047985  0.476881  0.545337  1
  Al  Al89  1  0.047978  0.210240  0.483764  1
  Al  Al90  1  0.048432  0.842416  0.514334  1
  Al  Al91  1  0.951889  0.564295  0.507909  1
  Al  Al92  1  0.952612  0.197951  0.538188  1
  Al  Al93  1  0.951101  0.930554  0.477404  1
  Al  Al94  1  0.453378  0.476881  0.545337  1
  Al  Al95  1  0.453386  0.210240  0.483764  1
  Al  Al96  1  0.452932  0.842416  0.514334  1
  Al  Al97  1  0.048752  0.733678  0.461065  1
  Al  Al98  1  0.049475  0.367334  0.491344  1
  Al  Al99  1  0.050262  1.001075  0.521850  1
  Al  Al100  1  0.750682  0.655078  0.475118  1
  Al  Al101  1  0.750682  0.289458  0.505420  1
  Al  Al102  1  0.750682  0.922090  0.535657  1
  Al  Al103  1  0.250682  0.480154  0.491297  1
  Al  Al104  1  0.250682  0.113914  0.522061  1
  Al  Al105  1  0.250682  0.845666  0.460784  1
  Al  Al106  1  0.250682  0.642170  0.493834  1
  Al  Al107  1  0.250682  0.276551  0.524135  1
  Al  Al108  1  0.250682  0.009538  0.463596  1
  Al  Al109  1  0.750682  0.718886  0.569046  1
  Al  Al110  1  0.750682  0.352601  0.599126  1
  Al  Al111  1  0.750682  0.986869  0.629158  1
  Al  Al112  1  0.547042  0.622611  0.608021  1
  Al  Al113  1  0.548374  0.356224  0.545726  1
  Al  Al114  1  0.549316  0.990205  0.575942  1
  Al  Al115  1  0.954322  0.622611  0.608021  1
  Al  Al116  1  0.952990  0.356224  0.545726  1
  Al  Al117  1  0.952047  0.990205  0.575942  1
  Al  Al118  1  0.452369  0.633892  0.553183  1
  Al  Al119  1  0.453466  0.268271  0.583076  1
  Al  Al120  1  0.454203  0.901672  0.613036  1
  Al  Al121  1  0.549551  0.465571  0.600029  1
  Al  Al122  1  0.548557  0.098997  0.630218  1
  Al  Al123  1  0.548838  0.830767  0.568610  1
  Al  Al124  1  0.049696  0.376910  0.636563  1
  Al  Al125  1  0.049208  0.110934  0.575899  1
  Al  Al126  1  0.049384  0.743518  0.606151  1
  Al  Al127  1  0.951812  0.465571  0.600029  1
  Al  Al128  1  0.952806  0.098997  0.630218  1
  Al  Al129  1  0.952526  0.830767  0.568610  1
  Al  Al130  1  0.451668  0.376910  0.636563  1
  Al  Al131  1  0.452155  0.110934  0.575899  1
  Al  Al132  1  0.451980  0.743518  0.606151  1
  Al  Al133  1  0.048994  0.633892  0.553183  1
  Al  Al134  1  0.047898  0.268271  0.583076  1
  Al  Al135  1  0.047161  0.901672  0.613036  1
  Al  Al136  1  0.750682  0.556445  0.567432  1
  Al  Al137  1  0.750682  0.190672  0.597265  1
  Al  Al138  1  0.750682  0.822685  0.626587  1
  Al  Al139  1  0.250682  0.381761  0.583075  1
  Al  Al140  1  0.250682  0.014973  0.613435  1
  Al  Al141  1  0.250682  0.746224  0.552655  1
  Al  Al142  1  0.250682  0.542936  0.585682  1
  Al  Al143  1  0.250682  0.178010  0.616985  1
  Al  Al144  1  0.250682  0.909863  0.554670  1
  Al  Al145  1  0.750682  0.619918  0.660927  1
  Al  Al146  1  0.750682  0.256452  0.687602  1
  Al  Al147  1  0.750682  0.886065  0.716294  1
  Al  Al148  1  0.544954  0.515766  0.698164  1
  Al  Al149  1  0.546678  0.256730  0.637977  1
  Al  Al150  1  0.547385  0.889761  0.667229  1
  Al  Al151  1  0.956409  0.515766  0.698164  1
  Al  Al152  1  0.954686  0.256730  0.637977  1
  Al  Al153  1  0.953978  0.889761  0.667229  1
  Al  Al154  1  0.454059  0.535251  0.645331  1
  Al  Al155  1  0.461528  0.166492  0.676153  1
  Al  Al156  1  0.454394  0.800901  0.704258  1
  Al  Al157  1  0.545343  0.365722  0.689421  1
  Al  Al158  1  0.544316  0.993269  0.718059  1
  Al  Al159  1  0.545747  0.729540  0.659596  1
  Al  Al160  1  0.046636  0.264928  0.719434  1
  Al  Al161  1  0.048614  0.008767  0.664798  1
  Al  Al162  1  0.048560  0.640283  0.696638  1
  Al  Al163  1  0.956021  0.365722  0.689421  1
  Al  Al164  1  0.957048  0.993269  0.718059  1
  Al  Al165  1  0.955617  0.729540  0.659596  1
  Al  Al166  1  0.454728  0.264928  0.719434  1
  Al  Al167  1  0.452749  0.008767  0.664798  1
  Al  Al168  1  0.452803  0.640283  0.696638  1
  Al  Al169  1  0.047305  0.535251  0.645331  1
  Al  Al170  1  0.039836  0.166492  0.676153  1
  Al  Al171  1  0.046970  0.800901  0.704258  1
  Al  Al172  1  0.750682  0.456376  0.658060  1
  Al  Al173  1  0.750682  0.087645  0.686607  1
  Al  Al174  1  0.750682  0.715292  0.709226  1
  Al  Al175  1  0.250682  0.273928  0.671981  1
  Al  Al176  1  0.250682  0.918291  0.701635  1
  Al  Al177  1  0.250682  0.645269  0.644938  1
  Al  Al178  1  0.250682  0.441905  0.675750  1
  Al  Al179  1  0.250682  0.067991  0.703871  1
  Al  Al180  1  0.250682  0.810233  0.647201  1
  Ni  Ni181  1  0.750682  0.751812  0.286053  1
  Ni  Ni182  1  0.750682  0.376000  0.315467  1
  Ni  Ni183  1  0.750682  1.006887  0.348546  1
  Ni  Ni184  1  0.750682  0.837329  0.346621  1
  Ni  Ni185  1  0.750682  0.578160  0.289433  1
  Ni  Ni186  1  0.750682  0.206567  0.316860  1
  Ni  Ni187  1  0.250682  0.957560  0.318977  1
  Ni  Ni188  1  0.250682  0.589218  0.348158  1
  Ni  Ni189  1  0.250682  0.331077  0.287439  1
  Ni  Ni190  1  0.250682  0.757219  0.347594  1
  Ni  Ni191  1  0.250682  0.496204  0.286258  1
  Ni  Ni192  1  0.250682  0.124841  0.319646  1
  Ni  Ni193  1  0.750682  0.638369  0.378093  1
  Ni  Ni194  1  0.750682  0.273420  0.407191  1
  Ni  Ni195  1  0.750682  0.905843  0.438389  1
  Ni  Ni196  1  0.750682  0.738761  0.438503  1
  Ni  Ni197  1  0.750682  0.471382  0.376949  1
  Ni  Ni198  1  0.750682  0.105845  0.408082  1
  Ni  Ni199  1  0.250682  0.856338  0.408081  1
  Ni  Ni200  1  0.250682  0.490640  0.438337  1
  Ni  Ni201  1  0.250682  0.224185  0.377854  1
  Ni  Ni202  1  0.250682  0.657695  0.438728  1
  Ni  Ni203  1  0.250682  0.390626  0.376393  1
  Ni  Ni204  1  0.250682  0.024061  0.408627  1
  Ni  Ni205  1  0.750682  0.539322  0.469000  1
  Ni  Ni206  1  0.750682  0.174050  0.499382  1
  Ni  Ni207  1  0.750682  0.806371  0.529881  1
  Ni  Ni208  1  0.750682  0.639696  0.530737  1
  Ni  Ni209  1  0.750682  0.373099  0.469063  1
  Ni  Ni210  1  0.750682  1.007074  0.499909  1
  Ni  Ni211  1  0.250682  0.757579  0.499872  1
  Ni  Ni212  1  0.250682  0.392307  0.530254  1
  Ni  Ni213  1  0.250682  0.125258  0.469373  1
  Ni  Ni214  1  0.250682  0.558530  0.530191  1
  Ni  Ni215  1  0.250682  0.291933  0.468516  1
  Ni  Ni216  1  0.250682  0.924554  0.499345  1
  Ni  Ni217  1  0.750682  0.440989  0.560916  1
  Ni  Ni218  1  0.750682  0.075291  0.591172  1
  Ni  Ni219  1  0.750682  0.707443  0.621399  1
  Ni  Ni220  1  0.750682  0.541002  0.622861  1
  Ni  Ni221  1  0.750682  0.273934  0.560525  1
  Ni  Ni222  1  0.750682  0.907567  0.590626  1
  Ni  Ni223  1  0.250682  0.658209  0.592063  1
  Ni  Ni224  1  0.250682  0.293260  0.621161  1
  Ni  Ni225  1  0.250682  0.025785  0.560864  1
  Ni  Ni226  1  0.250682  0.460247  0.622305  1
  Ni  Ni227  1  0.250682  0.192868  0.560750  1
  Ni  Ni228  1  0.250682  0.825784  0.591172  1
  Ni  Ni229  1  0.750682  0.342410  0.651096  1
  Ni  Ni230  1  0.750682  0.974068  0.680276  1
  Ni  Ni231  1  0.750682  0.600552  0.711814  1
  Ni  Ni232  1  0.750682  0.435425  0.712995  1
  Ni  Ni233  1  0.750682  0.174409  0.651660  1
  Ni  Ni234  1  0.750682  0.806788  0.679608  1
  Ni  Ni235  1  0.250682  0.555628  0.683786  1
  Ni  Ni236  1  0.250682  0.179817  0.713200  1
  Ni  Ni237  1  0.250682  0.924741  0.650707  1
  Ni  Ni238  1  0.250682  0.353469  0.709820  1
  Ni  Ni239  1  0.250682  0.094300  0.652633  1
  Ni  Ni240  1  0.250682  0.725062  0.682394  1
