# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61567683
_cell_length_b   19.71426839
_cell_length_c   51.88186826
_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   7789.41384208
_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  0.749625  0.499324  0.294719  1
  Al  Al2  1  0.749625  0.117043  0.352938  1
  Al  Al3  1  0.749625  0.807981  0.324513  1
  Al  Al4  1  0.545398  0.405501  0.336216  1
  Al  Al5  1  0.545766  0.096223  0.306630  1
  Al  Al6  1  0.545551  0.788151  0.279758  1
  Al  Al7  1  0.953851  0.405501  0.336216  1
  Al  Al8  1  0.953483  0.096223  0.306630  1
  Al  Al9  1  0.953698  0.788151  0.279758  1
  Al  Al10  1  0.491348  0.403667  0.285992  1
  Al  Al11  1  0.453113  0.018406  0.346639  1
  Al  Al12  1  0.453145  0.705046  0.317904  1
  Al  Al13  1  0.545168  0.232601  0.343086  1
  Al  Al14  1  0.538358  0.921319  0.312236  1
  Al  Al15  1  0.549321  0.614201  0.282806  1
  Al  Al16  1  0.053408  0.227952  0.294337  1
  Al  Al17  1  0.044536  0.844476  0.354068  1
  Al  Al18  1  0.051067  0.530461  0.322623  1
  Al  Al19  1  0.954081  0.232601  0.343086  1
  Al  Al20  1  0.960891  0.921319  0.312236  1
  Al  Al21  1  0.949928  0.614201  0.282806  1
  Al  Al22  1  0.445841  0.227952  0.294337  1
  Al  Al23  1  0.454714  0.844476  0.354068  1
  Al  Al24  1  0.448182  0.530461  0.322623  1
  Al  Al25  1  0.007901  0.403667  0.285992  1
  Al  Al26  1  0.046136  0.018406  0.346639  1
  Al  Al27  1  0.046104  0.705046  0.317904  1
  Al  Al28  1  0.749625  0.316887  0.307284  1
  Al  Al29  1  0.749625  1.005471  0.279648  1
  Al  Al30  1  0.749625  0.624573  0.334508  1
  Al  Al31  1  0.249625  0.135832  0.336516  1
  Al  Al32  1  0.249625  0.820566  0.308984  1
  Al  Al33  1  0.249625  0.509682  0.278161  1
  Al  Al34  1  0.249625  0.312177  0.329001  1
  Al  Al35  1  0.249625  1.004012  0.298721  1
  Al  Al36  1  0.249625  0.621531  0.353369  1
  Al  Al37  1  0.749625  0.428425  0.383686  1
  Al  Al38  1  0.749625  0.054580  0.445104  1
  Al  Al39  1  0.749625  0.739953  0.414659  1
  Al  Al40  1  0.545995  0.344418  0.427062  1
  Al  Al41  1  0.546876  0.029372  0.396505  1
  Al  Al42  1  0.548623  0.716238  0.366124  1
  Al  Al43  1  0.953254  0.344418  0.427062  1
  Al  Al44  1  0.952373  0.029372  0.396505  1
  Al  Al45  1  0.950627  0.716238  0.366124  1
  Al  Al46  1  0.453188  0.329486  0.377146  1
  Al  Al47  1  0.452806  0.956828  0.438421  1
  Al  Al48  1  0.451836  0.641950  0.407496  1
  Al  Al49  1  0.547514  0.173139  0.434367  1
  Al  Al50  1  0.546091  0.859737  0.404123  1
  Al  Al51  1  0.543818  0.546524  0.372349  1
  Al  Al52  1  0.044109  0.156901  0.384479  1
  Al  Al53  1  0.046399  0.785480  0.445622  1
  Al  Al54  1  0.045135  0.472461  0.414379  1
  Al  Al55  1  0.951735  0.173139  0.434367  1
  Al  Al56  1  0.953158  0.859737  0.404123  1
  Al  Al57  1  0.955431  0.546524  0.372349  1
  Al  Al58  1  0.455140  0.156901  0.384479  1
  Al  Al59  1  0.452850  0.785480  0.445622  1
  Al  Al60  1  0.454114  0.472461  0.414379  1
  Al  Al61  1  0.046061  0.329486  0.377146  1
  Al  Al62  1  0.046443  0.956828  0.438421  1
  Al  Al63  1  0.047413  0.641950  0.407496  1
  Al  Al64  1  0.749625  0.253103  0.396425  1
  Al  Al65  1  0.749625  0.938345  0.365285  1
  Al  Al66  1  0.749625  0.567547  0.427164  1
  Al  Al67  1  0.249625  0.074490  0.427604  1
  Al  Al68  1  0.249625  0.761234  0.397805  1
  Al  Al69  1  0.249625  0.447057  0.364803  1
  Al  Al70  1  0.249625  0.249577  0.415322  1
  Al  Al71  1  0.249625  0.935538  0.384878  1
  Al  Al72  1  0.249625  0.562031  0.444954  1
  Al  Al73  1  0.749625  0.368876  0.475327  1
  Al  Al74  1  0.749625  0.996613  0.536807  1
  Al  Al75  1  0.749625  0.682301  0.506023  1
  Al  Al76  1  0.545927  0.285627  0.518616  1
  Al  Al77  1  0.546154  0.971621  0.488422  1
  Al  Al78  1  0.546234  0.657715  0.457610  1
  Al  Al79  1  0.953322  0.285627  0.518616  1
  Al  Al80  1  0.953095  0.971621  0.488422  1
  Al  Al81  1  0.953015  0.657715  0.457610  1
  Al  Al82  1  0.452246  0.270146  0.468610  1
  Al  Al83  1  0.452209  0.897869  0.530005  1
  Al  Al84  1  0.451785  0.583823  0.499051  1
  Al  Al85  1  0.547003  0.114858  0.525955  1
  Al  Al86  1  0.547464  0.801181  0.495515  1
  Al  Al87  1  0.547040  0.487135  0.464561  1
  Al  Al88  1  0.045927  0.099377  0.475950  1
  Al  Al89  1  0.046234  0.727289  0.536956  1
  Al  Al90  1  0.046154  0.413383  0.506144  1
  Al  Al91  1  0.952246  0.114858  0.525955  1
  Al  Al92  1  0.951785  0.801181  0.495515  1
  Al  Al93  1  0.952209  0.487135  0.464561  1
  Al  Al94  1  0.453322  0.099377  0.475950  1
  Al  Al95  1  0.453015  0.727289  0.536956  1
  Al  Al96  1  0.453095  0.413383  0.506144  1
  Al  Al97  1  0.047003  0.270146  0.468610  1
  Al  Al98  1  0.047040  0.897869  0.530005  1
  Al  Al99  1  0.047464  0.583823  0.499051  1
  Al  Al100  1  0.749625  0.194885  0.488175  1
  Al  Al101  1  0.749625  0.881177  0.457924  1
  Al  Al102  1  0.749625  0.508549  0.518514  1
  Al  Al103  1  0.249625  0.016128  0.519239  1
  Al  Al104  1  0.249625  0.702703  0.488542  1
  Al  Al105  1  0.249625  0.388391  0.457758  1
  Al  Al106  1  0.249625  0.190119  0.506391  1
  Al  Al107  1  0.249625  0.876455  0.476052  1
  Al  Al108  1  0.249625  0.503827  0.536641  1
  Al  Al109  1  0.749625  0.310514  0.566961  1
  Al  Al110  1  0.749625  0.937947  0.629763  1
  Al  Al111  1  0.749625  0.623770  0.596760  1
  Al  Al112  1  0.544109  0.228103  0.610086  1
  Al  Al113  1  0.545135  0.912543  0.580187  1
  Al  Al114  1  0.546399  0.599524  0.548943  1
  Al  Al115  1  0.955140  0.228103  0.610086  1
  Al  Al116  1  0.954114  0.912543  0.580187  1
  Al  Al117  1  0.952850  0.599524  0.548943  1
  Al  Al118  1  0.451735  0.211865  0.560198  1
  Al  Al119  1  0.455431  0.838480  0.622217  1
  Al  Al120  1  0.453158  0.525267  0.590443  1
  Al  Al121  1  0.546061  0.055518  0.617419  1
  Al  Al122  1  0.547413  0.743054  0.587069  1
  Al  Al123  1  0.546443  0.428176  0.556144  1
  Al  Al124  1  0.045995  0.040586  0.567503  1
  Al  Al125  1  0.048623  0.668766  0.628442  1
  Al  Al126  1  0.046876  0.355632  0.598060  1
  Al  Al127  1  0.953188  0.055518  0.617419  1
  Al  Al128  1  0.951836  0.743054  0.587069  1
  Al  Al129  1  0.952806  0.428176  0.556144  1
  Al  Al130  1  0.453254  0.040586  0.567503  1
  Al  Al131  1  0.450627  0.668766  0.628442  1
  Al  Al132  1  0.452373  0.355632  0.598060  1
  Al  Al133  1  0.047514  0.211865  0.560198  1
  Al  Al134  1  0.043818  0.838480  0.622217  1
  Al  Al135  1  0.046091  0.525267  0.590443  1
  Al  Al136  1  0.749625  0.135427  0.579243  1
  Al  Al137  1  0.749625  0.822972  0.549612  1
  Al  Al138  1  0.749625  0.449466  0.609687  1
  Al  Al139  1  0.249625  0.956579  0.610879  1
  Al  Al140  1  0.249625  0.645051  0.579907  1
  Al  Al141  1  0.249625  0.330424  0.549462  1
  Al  Al142  1  0.249625  0.131901  0.598141  1
  Al  Al143  1  0.249625  0.817457  0.567402  1
  Al  Al144  1  0.249625  0.446659  0.629281  1
  Al  Al145  1  0.749625  0.249172  0.658050  1
  Al  Al146  1  0.749625  0.875322  0.716405  1
  Al  Al147  1  0.749625  0.564438  0.685581  1
  Al  Al148  1  0.553408  0.157051  0.700228  1
  Al  Al149  1  0.551067  0.854542  0.671943  1
  Al  Al150  1  0.544536  0.540528  0.640498  1
  Al  Al151  1  0.945841  0.157051  0.700228  1
  Al  Al152  1  0.948182  0.854542  0.671943  1
  Al  Al153  1  0.954714  0.540528  0.640498  1
  Al  Al154  1  0.454081  0.152403  0.651479  1
  Al  Al155  1  0.449928  0.770802  0.711759  1
  Al  Al156  1  0.460891  0.463685  0.682329  1
  Al  Al157  1  0.507901  0.981337  0.708573  1
  Al  Al158  1  0.546104  0.679958  0.676662  1
  Al  Al159  1  0.546136  0.366598  0.647927  1
  Al  Al160  1  0.045398  0.979503  0.658350  1
  Al  Al161  1  0.045551  0.596853  0.714808  1
  Al  Al162  1  0.045766  0.288781  0.687936  1
  Al  Al163  1  0.991348  0.981337  0.708573  1
  Al  Al164  1  0.953145  0.679958  0.676662  1
  Al  Al165  1  0.953113  0.366598  0.647927  1
  Al  Al166  1  0.453851  0.979503  0.658350  1
  Al  Al167  1  0.453698  0.596853  0.714808  1
  Al  Al168  1  0.453483  0.288781  0.687936  1
  Al  Al169  1  0.045168  0.152403  0.651479  1
  Al  Al170  1  0.049321  0.770802  0.711759  1
  Al  Al171  1  0.038358  0.463685  0.682329  1
  Al  Al172  1  0.749625  0.072827  0.665565  1
  Al  Al173  1  0.749625  0.763473  0.641197  1
  Al  Al174  1  0.749625  0.380992  0.695844  1
  Al  Al175  1  0.249625  0.885680  0.699847  1
  Al  Al176  1  0.249625  0.577023  0.670053  1
  Al  Al177  1  0.249625  0.267961  0.641627  1
  Al  Al178  1  0.249625  0.068117  0.687282  1
  Al  Al179  1  0.249625  0.760431  0.660058  1
  Al  Al180  1  0.249625  0.379533  0.714918  1
  Ni  Ni181  1  0.749625  0.192680  0.309748  1
  Ni  Ni182  1  0.749625  0.882046  0.281269  1
  Ni  Ni183  1  0.749625  0.501242  0.341205  1
  Ni  Ni184  1  0.749625  0.324403  0.356336  1
  Ni  Ni185  1  0.749625  0.011807  0.326832  1
  Ni  Ni186  1  0.749625  0.704481  0.298121  1
  Ni  Ni187  1  0.249625  0.430347  0.315921  1
  Ni  Ni188  1  0.249625  0.126514  0.288974  1
  Ni  Ni189  1  0.249625  0.747591  0.350398  1
  Ni  Ni190  1  0.249625  0.324640  0.282776  1
  Ni  Ni191  1  0.249625  0.925270  0.335273  1
  Ni  Ni192  1  0.249625  0.615726  0.303030  1
  Ni  Ni193  1  0.749625  0.126834  0.401806  1
  Ni  Ni194  1  0.749625  0.813457  0.372250  1
  Ni  Ni195  1  0.749625  0.441635  0.432071  1
  Ni  Ni196  1  0.749625  0.265209  0.447781  1
  Ni  Ni197  1  0.749625  0.950918  0.417402  1
  Ni  Ni198  1  0.749625  0.636235  0.386554  1
  Ni  Ni199  1  0.249625  0.375671  0.409254  1
  Ni  Ni200  1  0.249625  0.060809  0.379352  1
  Ni  Ni201  1  0.249625  0.687811  0.440190  1
  Ni  Ni202  1  0.249625  0.235671  0.365505  1
  Ni  Ni203  1  0.249625  0.865078  0.425142  1
  Ni  Ni204  1  0.249625  0.550259  0.393483  1
  Ni  Ni205  1  0.749625  0.069002  0.493521  1
  Ni  Ni206  1  0.749625  0.755169  0.462978  1
  Ni  Ni207  1  0.749625  0.382835  0.523689  1
  Ni  Ni208  1  0.749625  0.206847  0.539388  1
  Ni  Ni209  1  0.749625  0.892857  0.509286  1
  Ni  Ni210  1  0.749625  0.578760  0.478347  1
  Ni  Ni211  1  0.249625  0.316002  0.501045  1
  Ni  Ni212  1  0.249625  1.002169  0.470876  1
  Ni  Ni213  1  0.249625  0.629835  0.531587  1
  Ni  Ni214  1  0.249625  0.178157  0.455178  1
  Ni  Ni215  1  0.249625  0.806244  0.516219  1
  Ni  Ni216  1  0.249625  0.492147  0.485279  1
  Ni  Ni217  1  0.749625  1.009332  0.585311  1
  Ni  Ni218  1  0.749625  0.697192  0.554376  1
  Ni  Ni219  1  0.749625  0.324194  0.615214  1
  Ni  Ni220  1  0.749625  0.149333  0.629061  1
  Ni  Ni221  1  0.749625  0.834744  0.601083  1
  Ni  Ni222  1  0.749625  0.519926  0.569423  1
  Ni  Ni223  1  0.249625  0.258170  0.592760  1
  Ni  Ni224  1  0.249625  0.943368  0.562495  1
  Ni  Ni225  1  0.249625  0.571547  0.622315  1
  Ni  Ni226  1  0.249625  0.119795  0.546785  1
  Ni  Ni227  1  0.249625  0.748768  0.608011  1
  Ni  Ni228  1  0.249625  0.434086  0.577164  1
  Ni  Ni229  1  0.749625  0.954657  0.678644  1
  Ni  Ni230  1  0.749625  0.637413  0.644168  1
  Ni  Ni231  1  0.749625  0.258490  0.705592  1
  Ni  Ni232  1  0.749625  0.060364  0.711789  1
  Ni  Ni233  1  0.749625  0.769278  0.691536  1
  Ni  Ni234  1  0.749625  0.459734  0.659293  1
  Ni  Ni235  1  0.249625  0.192323  0.684817  1
  Ni  Ni236  1  0.249625  0.883762  0.653361  1
  Ni  Ni237  1  0.249625  0.502957  0.713297  1
  Ni  Ni238  1  0.249625  0.060600  0.638230  1
  Ni  Ni239  1  0.249625  0.680523  0.696445  1
  Ni  Ni240  1  0.249625  0.373197  0.667733  1
