# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.69182852
_cell_length_b   9.71238416
_cell_length_c   49.26372429
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.88859567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7906.60910949
_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  0.776162  0.244707  0.359513  1
  Al  Al2  1  0.154165  0.391378  0.301672  1
  Al  Al3  1  0.460409  0.316941  0.327631  1
  Al  Al4  1  0.938477  0.461789  0.364608  1
  Al  Al5  1  0.327193  0.545935  0.301291  1
  Al  Al6  1  0.626143  0.540477  0.339687  1
  Al  Al7  1  0.965465  0.098673  0.326597  1
  Al  Al8  1  0.283911  0.014740  0.351242  1
  Al  Al9  1  0.659866  0.155397  0.297353  1
  Al  Al10  1  0.785250  0.530762  0.349490  1
  Al  Al11  1  0.173057  0.684442  0.295698  1
  Al  Al12  1  0.469339  0.599672  0.322166  1
  Al  Al13  1  0.049897  0.567991  0.331776  1
  Al  Al14  1  0.358546  0.482830  0.359334  1
  Al  Al15  1  0.729150  0.579940  0.296311  1
  Al  Al16  1  0.859461  0.998616  0.360224  1
  Al  Al17  1  0.243609  0.144181  0.297344  1
  Al  Al18  1  0.549687  0.060895  0.327483  1
  Al  Al19  1  0.072749  0.164853  0.291480  1
  Al  Al20  1  0.395361  0.095181  0.313605  1
  Al  Al21  1  0.703460  0.034443  0.345996  1
  Al  Al22  1  0.893272  0.628159  0.309286  1
  Al  Al23  1  0.207767  0.543319  0.343103  1
  Al  Al24  1  0.566112  0.729243  0.291278  1
  Al  Al25  1  0.820480  0.117892  0.302145  1
  Al  Al26  1  0.124241  0.051073  0.340032  1
  Al  Al27  1  0.438803  0.977901  0.365933  1
  Al  Al28  1  0.878602  0.344647  0.319658  1
  Al  Al29  1  0.200065  0.260952  0.353165  1
  Al  Al30  1  0.584201  0.410178  0.296116  1
  Al  Al31  1  0.052442  0.836535  0.321134  1
  Al  Al32  1  0.367754  0.753838  0.354230  1
  Al  Al33  1  0.758793  0.860116  0.299001  1
  Al  Al34  1  0.939492  0.735928  0.359903  1
  Al  Al35  1  0.323304  0.844087  0.303444  1
  Al  Al36  1  0.635679  0.806814  0.333915  1
  Al  Al37  1  0.709849  0.021659  0.440814  1
  Al  Al38  1  0.083910  0.174692  0.386643  1
  Al  Al39  1  0.398224  0.098110  0.413247  1
  Al  Al40  1  0.877152  0.236521  0.450980  1
  Al  Al41  1  0.252627  0.389490  0.394770  1
  Al  Al42  1  0.564456  0.310309  0.422454  1
  Al  Al43  1  0.907479  0.863346  0.410477  1
  Al  Al44  1  0.219662  0.785491  0.437877  1
  Al  Al45  1  0.593890  0.938837  0.381900  1
  Al  Al46  1  0.721534  0.296254  0.434714  1
  Al  Al47  1  0.096510  0.454417  0.379187  1
  Al  Al48  1  0.410012  0.371693  0.407081  1
  Al  Al49  1  0.979967  0.335222  0.415240  1
  Al  Al50  1  0.293074  0.255320  0.442927  1
  Al  Al51  1  0.668648  0.407760  0.387094  1
  Al  Al52  1  0.796565  0.764095  0.439861  1
  Al  Al53  1  0.173271  0.919323  0.385520  1
  Al  Al54  1  0.484406  0.839427  0.412473  1
  Al  Al55  1  0.012880  0.956810  0.374434  1
  Al  Al56  1  0.324762  0.883467  0.402597  1
  Al  Al57  1  0.636570  0.805905  0.430562  1
  Al  Al58  1  0.826473  0.397672  0.399488  1
  Al  Al59  1  0.138847  0.317506  0.427338  1
  Al  Al60  1  0.513601  0.465938  0.371254  1
  Al  Al61  1  0.752054  0.899803  0.392831  1
  Al  Al62  1  0.066789  0.819677  0.419085  1
  Al  Al63  1  0.379151  0.743392  0.447154  1
  Al  Al64  1  0.829331  0.116915  0.408030  1
  Al  Al65  1  0.142133  0.038610  0.434585  1
  Al  Al66  1  0.516628  0.190895  0.378085  1
  Al  Al67  1  0.991290  0.606158  0.409407  1
  Al  Al68  1  0.305090  0.529230  0.437255  1
  Al  Al69  1  0.682448  0.679597  0.381968  1
  Al  Al70  1  0.873908  0.512653  0.443788  1
  Al  Al71  1  0.249389  0.664801  0.387385  1
  Al  Al72  1  0.561935  0.587477  0.415441  1
  Al  Al73  1  0.647756  0.790868  0.523949  1
  Al  Al74  1  0.023115  0.944958  0.468232  1
  Al  Al75  1  0.334938  0.867218  0.495900  1
  Al  Al76  1  0.813742  0.004805  0.533874  1
  Al  Al77  1  0.189149  0.158373  0.478316  1
  Al  Al78  1  0.501540  0.081099  0.506025  1
  Al  Al79  1  0.844196  0.632771  0.493774  1
  Al  Al80  1  0.156522  0.555346  0.521563  1
  Al  Al81  1  0.531952  0.708728  0.465747  1
  Al  Al82  1  0.659245  0.064608  0.518156  1
  Al  Al83  1  0.034590  0.219199  0.462584  1
  Al  Al84  1  0.346431  0.141544  0.490173  1
  Al  Al85  1  0.918615  0.101949  0.498875  1
  Al  Al86  1  0.230457  0.024294  0.526464  1
  Al  Al87  1  0.605801  0.178886  0.470892  1
  Al  Al88  1  0.733095  0.534765  0.523301  1
  Al  Al89  1  0.108524  0.688147  0.467485  1
  Al  Al90  1  0.420851  0.610723  0.495274  1
  Al  Al91  1  0.948870  0.730227  0.458623  1
  Al  Al92  1  0.260888  0.652526  0.486171  1
  Al  Al93  1  0.573495  0.575825  0.513947  1
  Al  Al94  1  0.763506  0.162394  0.483023  1
  Al  Al95  1  0.075897  0.085120  0.510732  1
  Al  Al96  1  0.451304  0.238688  0.455174  1
  Al  Al97  1  0.691551  0.667668  0.475101  1
  Al  Al98  1  1.004158  0.590967  0.502877  1
  Al  Al99  1  0.316176  0.513266  0.530425  1
  Al  Al100  1  0.766396  0.884976  0.489971  1
  Al  Al101  1  0.078817  0.807949  0.517664  1
  Al  Al102  1  0.454020  0.961003  0.462201  1
  Al  Al103  1  0.930108  0.376275  0.493148  1
  Al  Al104  1  0.241931  0.298535  0.520816  1
  Al  Al105  1  0.617290  0.452625  0.465099  1
  Al  Al106  1  0.811026  0.282490  0.526848  1
  Al  Al107  1  0.186229  0.435544  0.471384  1
  Al  Al108  1  0.498650  0.358517  0.499077  1
  Al  Al109  1  0.582598  0.563896  0.607080  1
  Al  Al110  1  0.959956  0.714263  0.551794  1
  Al  Al111  1  0.273756  0.637335  0.579641  1
  Al  Al112  1  0.751445  0.777555  0.617794  1
  Al  Al113  1  0.126199  0.925987  0.561711  1
  Al  Al114  1  0.438573  0.845821  0.589560  1
  Al  Al115  1  0.780640  0.404066  0.576575  1
  Al  Al116  1  0.091775  0.324171  0.603528  1
  Al  Al117  1  0.468481  0.479398  0.549187  1
  Al  Al118  1  0.596398  0.835733  0.601954  1
  Al  Al119  1  0.971972  0.988173  0.546121  1
  Al  Al120  1  0.285079  0.908272  0.573808  1
  Al  Al121  1  0.855034  0.871800  0.581967  1
  Al  Al122  1  0.168536  0.789076  0.609861  1
  Al  Al123  1  0.543512  0.947239  0.554334  1
  Al  Al124  1  0.671156  0.304656  0.607149  1
  Al  Al125  1  0.045384  0.458002  0.551171  1
  Al  Al126  1  0.357567  0.380147  0.578571  1
  Al  Al127  1  0.885895  0.500101  0.541894  1
  Al  Al128  1  0.198257  0.423816  0.569963  1
  Al  Al129  1  0.512992  0.343690  0.596217  1
  Al  Al130  1  0.700590  0.933184  0.566594  1
  Al  Al131  1  0.012419  0.854003  0.594278  1
  Al  Al132  1  0.387894  0.006972  0.538069  1
  Al  Al133  1  0.628476  0.437588  0.558486  1
  Al  Al134  1  0.940284  0.360026  0.586451  1
  Al  Al135  1  0.252166  0.286683  0.614614  1
  Al  Al136  1  0.703111  0.656016  0.573607  1
  Al  Al137  1  0.015658  0.578692  0.601663  1
  Al  Al138  1  0.391138  0.730840  0.545260  1
  Al  Al139  1  0.866822  0.145383  0.575801  1
  Al  Al140  1  0.181136  0.068801  0.602405  1
  Al  Al141  1  0.555197  0.221834  0.548234  1
  Al  Al142  1  0.748418  0.052599  0.610963  1
  Al  Al143  1  0.122914  0.204884  0.554463  1
  Al  Al144  1  0.435715  0.126578  0.581018  1
  Al  Al145  1  0.506254  0.383377  0.690047  1
  Al  Al146  1  0.897292  0.489656  0.634818  1
  Al  Al147  1  0.212604  0.406958  0.667914  1
  Al  Al148  1  0.698935  0.514250  0.697770  1
  Al  Al149  1  0.057279  0.700174  0.645945  1
  Al  Al150  1  0.371774  0.615334  0.679762  1
  Al  Al151  1  0.715359  0.182598  0.661565  1
  Al  Al152  1  0.021437  0.099312  0.691704  1
  Al  Al153  1  0.405585  0.244877  0.628824  1
  Al  Al154  1  0.535896  0.663553  0.692737  1
  Al  Al155  1  0.906500  0.760663  0.629714  1
  Al  Al156  1  0.215149  0.675502  0.657272  1
  Al  Al157  1  0.795707  0.643821  0.666882  1
  Al  Al158  1  0.091989  0.559051  0.693350  1
  Al  Al159  1  0.479796  0.712731  0.639558  1
  Al  Al160  1  0.605180  0.088097  0.691695  1
  Al  Al161  1  0.981135  0.228753  0.637806  1
  Al  Al162  1  0.299581  0.144820  0.662452  1
  Al  Al163  1  0.826243  0.265592  0.623115  1
  Al  Al164  1  0.140805  0.192420  0.649016  1
  Al  Al165  1  0.444566  0.125602  0.686903  1
  Al  Al166  1  0.638903  0.703016  0.649361  1
  Al  Al167  1  0.937853  0.697558  0.687757  1
  Al  Al168  1  0.326569  0.781704  0.624440  1
  Al  Al169  1  0.561586  0.209050  0.643052  1
  Al  Al170  1  0.869685  0.148312  0.675443  1
  Al  Al171  1  0.192298  0.078640  0.697568  1
  Al  Al172  1  0.629367  0.436679  0.655133  1
  Al  Al173  1  0.941742  0.399407  0.685604  1
  Al  Al174  1  0.325554  0.507565  0.629145  1
  Al  Al175  1  0.804637  0.926552  0.661417  1
  Al  Al176  1  0.110881  0.852115  0.687376  1
  Al  Al177  1  0.488884  0.998786  0.629535  1
  Al  Al178  1  0.680845  0.833315  0.692932  1
  Al  Al179  1  0.064981  0.982541  0.635883  1
  Al  Al180  1  0.386445  0.898846  0.669390  1
  Ni  Ni181  1  1.001395  0.408668  0.299247  1
  Ni  Ni182  1  0.305366  0.328834  0.323839  1
  Ni  Ni183  1  0.618342  0.276526  0.345427  1
  Ni  Ni184  1  0.045990  0.295901  0.340682  1
  Ni  Ni185  1  0.355678  0.220273  0.366777  1
  Ni  Ni186  1  0.724361  0.350509  0.317016  1
  Ni  Ni187  1  0.896329  0.880763  0.317874  1
  Ni  Ni188  1  0.211103  0.801514  0.340482  1
  Ni  Ni189  1  0.522038  0.723383  0.366301  1
  Ni  Ni190  1  0.790623  0.785882  0.347129  1
  Ni  Ni191  1  0.173912  0.935207  0.299247  1
  Ni  Ni192  1  0.475005  0.851759  0.324038  1
  Ni  Ni193  1  0.932991  0.207538  0.373264  1
  Ni  Ni194  1  0.246046  0.130342  0.399908  1
  Ni  Ni195  1  0.557416  0.053013  0.428497  1
  Ni  Ni196  1  0.980145  0.073334  0.421813  1
  Ni  Ni197  1  0.292413  0.995508  0.449438  1
  Ni  Ni198  1  0.666986  0.148335  0.393372  1
  Ni  Ni199  1  0.834484  0.652684  0.392748  1
  Ni  Ni200  1  0.145679  0.574815  0.421196  1
  Ni  Ni201  1  0.458416  0.496532  0.449079  1
  Ni  Ni202  1  0.723124  0.555260  0.428410  1
  Ni  Ni203  1  0.100728  0.713504  0.370854  1
  Ni  Ni204  1  0.411402  0.631083  0.400182  1
  Ni  Ni205  1  0.869918  0.977721  0.456730  1
  Ni  Ni206  1  0.182136  0.900151  0.484135  1
  Ni  Ni207  1  0.494834  0.823085  0.511977  1
  Ni  Ni208  1  0.917005  0.842444  0.505327  1
  Ni  Ni209  1  0.229370  0.764656  0.532962  1
  Ni  Ni210  1  0.604642  0.918824  0.477314  1
  Ni  Ni211  1  0.770212  0.420408  0.477071  1
  Ni  Ni212  1  0.082910  0.343342  0.504913  1
  Ni  Ni213  1  0.395128  0.265772  0.532318  1
  Ni  Ni214  1  0.660404  0.324670  0.511734  1
  Ni  Ni215  1  0.035677  0.478837  0.456086  1
  Ni  Ni216  1  0.348041  0.401050  0.483721  1
  Ni  Ni217  1  0.806630  0.746961  0.539969  1
  Ni  Ni218  1  0.119367  0.668678  0.567852  1
  Ni  Ni219  1  0.430562  0.590809  0.596300  1
  Ni  Ni220  1  0.853644  0.612410  0.588866  1
  Ni  Ni221  1  0.164318  0.529989  0.618194  1
  Ni  Ni222  1  0.541922  0.688234  0.560639  1
  Ni  Ni223  1  0.707631  0.190480  0.560551  1
  Ni  Ni224  1  0.019000  0.113151  0.589140  1
  Ni  Ni225  1  0.332055  0.035955  0.615784  1
  Ni  Ni226  1  0.598060  0.095158  0.595676  1
  Ni  Ni227  1  0.972633  0.247985  0.539610  1
  Ni  Ni228  1  0.284901  0.170159  0.567235  1
  Ni  Ni229  1  0.743008  0.520110  0.622748  1
  Ni  Ni230  1  0.053943  0.441979  0.648566  1
  Ni  Ni231  1  0.368717  0.362731  0.671174  1
  Ni  Ni232  1  0.790041  0.391734  0.665010  1
  Ni  Ni233  1  0.091134  0.308286  0.689801  1
  Ni  Ni234  1  0.474423  0.457611  0.641919  1
  Ni  Ni235  1  0.646704  0.966967  0.643622  1
  Ni  Ni236  1  0.959680  0.914659  0.665209  1
  Ni  Ni237  1  0.263651  0.834825  0.689801  1
  Ni  Ni238  1  0.540685  0.892984  0.672032  1
  Ni  Ni239  1  0.909368  0.023221  0.622271  1
  Ni  Ni240  1  0.219056  0.947592  0.648366  1
