# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95218264
_cell_length_b   17.58701434
_cell_length_c   50.17439944
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al72 Ni216'
_cell_volume   6839.47000605
_cell_formula_units_Z   72
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  0.221827  0.980322  0.285271  1
  Al  Al2  1  0.377662  0.292710  0.308711  1
  Al  Al3  1  0.535196  0.608878  0.336476  1
  Al  Al4  1  0.377662  0.792710  0.308711  1
  Al  Al5  1  0.535196  0.108878  0.336476  1
  Al  Al6  1  0.221827  0.480322  0.285271  1
  Al  Al7  1  0.877662  0.792710  0.308711  1
  Al  Al8  1  0.035196  0.108878  0.336476  1
  Al  Al9  1  0.721827  0.480322  0.285271  1
  Al  Al10  1  0.721827  0.980322  0.285271  1
  Al  Al11  1  0.877662  0.292710  0.308711  1
  Al  Al12  1  0.035196  0.608878  0.336476  1
  Al  Al13  1  0.692531  0.924374  0.361726  1
  Al  Al14  1  0.850146  0.240607  0.387209  1
  Al  Al15  1  0.007278  0.555806  0.413248  1
  Al  Al16  1  0.850146  0.740607  0.387209  1
  Al  Al17  1  0.007278  0.055806  0.413248  1
  Al  Al18  1  0.692531  0.424374  0.361726  1
  Al  Al19  1  0.350146  0.740607  0.387209  1
  Al  Al20  1  0.507278  0.055806  0.413248  1
  Al  Al21  1  0.192531  0.424374  0.361726  1
  Al  Al22  1  0.192531  0.924374  0.361726  1
  Al  Al23  1  0.350146  0.240607  0.387209  1
  Al  Al24  1  0.507278  0.555806  0.413248  1
  Al  Al25  1  0.164418  0.871073  0.438835  1
  Al  Al26  1  0.321800  0.186793  0.464554  1
  Al  Al27  1  0.478879  0.501919  0.490266  1
  Al  Al28  1  0.321800  0.686793  0.464554  1
  Al  Al29  1  0.478879  1.001919  0.490266  1
  Al  Al30  1  0.164418  0.371073  0.438835  1
  Al  Al31  1  0.821800  0.686793  0.464554  1
  Al  Al32  1  0.978879  1.001919  0.490266  1
  Al  Al33  1  0.664418  0.371073  0.438835  1
  Al  Al34  1  0.664418  0.871073  0.438835  1
  Al  Al35  1  0.821800  0.186793  0.464554  1
  Al  Al36  1  0.978879  0.501919  0.490266  1
  Al  Al37  1  0.636233  0.817587  0.516057  1
  Al  Al38  1  0.793455  0.133001  0.541589  1
  Al  Al39  1  0.950668  0.448378  0.567588  1
  Al  Al40  1  0.793455  0.633001  0.541589  1
  Al  Al41  1  0.950668  0.948378  0.567588  1
  Al  Al42  1  0.636233  0.317587  0.516057  1
  Al  Al43  1  0.293455  0.633001  0.541589  1
  Al  Al44  1  0.450668  0.948378  0.567588  1
  Al  Al45  1  0.136233  0.317587  0.516057  1
  Al  Al46  1  0.136233  0.817587  0.516057  1
  Al  Al47  1  0.293455  0.133001  0.541589  1
  Al  Al48  1  0.450668  0.448378  0.567588  1
  Al  Al49  1  0.107947  0.763943  0.593210  1
  Al  Al50  1  0.265001  0.078959  0.618542  1
  Al  Al51  1  0.422963  0.395873  0.645744  1
  Al  Al52  1  0.265001  0.578959  0.618542  1
  Al  Al53  1  0.422963  0.895873  0.645744  1
  Al  Al54  1  0.107947  0.263943  0.593210  1
  Al  Al55  1  0.765001  0.578959  0.618542  1
  Al  Al56  1  0.922963  0.895873  0.645744  1
  Al  Al57  1  0.607947  0.263943  0.593210  1
  Al  Al58  1  0.607947  0.763943  0.593210  1
  Al  Al59  1  0.765001  0.078959  0.618542  1
  Al  Al60  1  0.922963  0.395873  0.645744  1
  Al  Al61  1  0.579544  0.709851  0.670039  1
  Al  Al62  1  0.738237  0.028296  0.695333  1
  Al  Al63  1  0.891002  0.334869  0.721057  1
  Al  Al64  1  0.738237  0.528296  0.695333  1
  Al  Al65  1  0.891002  0.834869  0.721057  1
  Al  Al66  1  0.579544  0.209851  0.670039  1
  Al  Al67  1  0.238237  0.528296  0.695333  1
  Al  Al68  1  0.391002  0.834869  0.721057  1
  Al  Al69  1  0.079544  0.209851  0.670039  1
  Al  Al70  1  0.079544  0.709851  0.670039  1
  Al  Al71  1  0.238237  0.028296  0.695333  1
  Al  Al72  1  0.391002  0.334869  0.721057  1
  Ni  Ni73  1  0.510763  0.058523  0.291351  1
  Ni  Ni74  1  0.667905  0.373607  0.317422  1
  Ni  Ni75  1  0.825090  0.688932  0.342281  1
  Ni  Ni76  1  0.143783  0.823389  0.274066  1
  Ni  Ni77  1  0.299162  0.135465  0.297814  1
  Ni  Ni78  1  0.457337  0.452673  0.323618  1
  Ni  Ni79  1  0.434077  0.904330  0.279041  1
  Ni  Ni80  1  0.587602  0.212431  0.304222  1
  Ni  Ni81  1  0.746119  0.530399  0.330105  1
  Ni  Ni82  1  0.667905  0.873607  0.317422  1
  Ni  Ni83  1  0.825090  0.188932  0.342281  1
  Ni  Ni84  1  0.510763  0.558523  0.291351  1
  Ni  Ni85  1  0.457337  0.952673  0.323618  1
  Ni  Ni86  1  0.143783  0.323389  0.274066  1
  Ni  Ni87  1  0.299162  0.635465  0.297814  1
  Ni  Ni88  1  0.746119  0.030399  0.330105  1
  Ni  Ni89  1  0.434077  0.404330  0.279041  1
  Ni  Ni90  1  0.587602  0.712431  0.304222  1
  Ni  Ni91  1  0.167905  0.873607  0.317422  1
  Ni  Ni92  1  0.325090  0.188932  0.342281  1
  Ni  Ni93  1  0.010763  0.558523  0.291351  1
  Ni  Ni94  1  0.957337  0.952673  0.323618  1
  Ni  Ni95  1  0.643783  0.323389  0.274066  1
  Ni  Ni96  1  0.799162  0.635465  0.297814  1
  Ni  Ni97  1  0.246119  0.030399  0.330105  1
  Ni  Ni98  1  0.934077  0.404330  0.279041  1
  Ni  Ni99  1  0.087602  0.712431  0.304222  1
  Ni  Ni100  1  0.010763  0.058523  0.291351  1
  Ni  Ni101  1  0.167905  0.373607  0.317422  1
  Ni  Ni102  1  0.325090  0.688932  0.342281  1
  Ni  Ni103  1  0.643783  0.823389  0.274066  1
  Ni  Ni104  1  0.799162  0.135465  0.297814  1
  Ni  Ni105  1  0.957337  0.452673  0.323618  1
  Ni  Ni106  1  0.934077  0.904330  0.279041  1
  Ni  Ni107  1  0.087602  0.212431  0.304222  1
  Ni  Ni108  1  0.246119  0.530399  0.330105  1
  Ni  Ni109  1  0.982021  1.003681  0.368385  1
  Ni  Ni110  1  0.139085  0.318844  0.393873  1
  Ni  Ni111  1  0.296682  0.634939  0.419528  1
  Ni  Ni112  1  0.613892  0.766698  0.348854  1
  Ni  Ni113  1  0.771653  0.083105  0.374608  1
  Ni  Ni114  1  0.928330  0.397439  0.399911  1
  Ni  Ni115  1  0.902978  0.844924  0.354293  1
  Ni  Ni116  1  0.060841  0.161669  0.381176  1
  Ni  Ni117  1  0.217885  0.476683  0.406611  1
  Ni  Ni118  1  0.139085  0.818844  0.393873  1
  Ni  Ni119  1  0.296682  0.134939  0.419528  1
  Ni  Ni120  1  0.982021  0.503681  0.368385  1
  Ni  Ni121  1  0.928330  0.897439  0.399911  1
  Ni  Ni122  1  0.613892  0.266698  0.348854  1
  Ni  Ni123  1  0.771653  0.583105  0.374608  1
  Ni  Ni124  1  0.217885  0.976683  0.406611  1
  Ni  Ni125  1  0.902978  0.344924  0.354293  1
  Ni  Ni126  1  0.060841  0.661669  0.381176  1
  Ni  Ni127  1  0.639085  0.818844  0.393873  1
  Ni  Ni128  1  0.796682  0.134939  0.419528  1
  Ni  Ni129  1  0.482021  0.503681  0.368385  1
  Ni  Ni130  1  0.428330  0.897439  0.399911  1
  Ni  Ni131  1  0.113892  0.266698  0.348854  1
  Ni  Ni132  1  0.271653  0.583105  0.374608  1
  Ni  Ni133  1  0.717885  0.976683  0.406611  1
  Ni  Ni134  1  0.402978  0.344924  0.354293  1
  Ni  Ni135  1  0.560841  0.661669  0.381176  1
  Ni  Ni136  1  0.482021  1.003681  0.368385  1
  Ni  Ni137  1  0.639085  0.318844  0.393873  1
  Ni  Ni138  1  0.796682  0.634939  0.419528  1
  Ni  Ni139  1  0.113892  0.766698  0.348854  1
  Ni  Ni140  1  0.271653  0.083105  0.374608  1
  Ni  Ni141  1  0.428330  0.397439  0.399911  1
  Ni  Ni142  1  0.402978  0.844924  0.354293  1
  Ni  Ni143  1  0.560841  0.161669  0.381176  1
  Ni  Ni144  1  0.717885  0.476683  0.406611  1
  Ni  Ni145  1  0.453630  0.949820  0.445173  1
  Ni  Ni146  1  0.611007  0.265545  0.471083  1
  Ni  Ni147  1  0.768216  0.580914  0.496613  1
  Ni  Ni148  1  0.085881  0.713514  0.426119  1
  Ni  Ni149  1  0.243076  0.028859  0.451608  1
  Ni  Ni150  1  0.400353  0.344381  0.477400  1
  Ni  Ni151  1  0.375238  0.792371  0.432302  1
  Ni  Ni152  1  0.532457  0.107785  0.458229  1
  Ni  Ni153  1  0.689659  0.423144  0.483805  1
  Ni  Ni154  1  0.611007  0.765545  0.471083  1
  Ni  Ni155  1  0.768216  0.080914  0.496613  1
  Ni  Ni156  1  0.453630  0.449820  0.445173  1
  Ni  Ni157  1  0.400353  0.844381  0.477400  1
  Ni  Ni158  1  0.085881  0.213514  0.426119  1
  Ni  Ni159  1  0.243076  0.528859  0.451608  1
  Ni  Ni160  1  0.689659  0.923144  0.483805  1
  Ni  Ni161  1  0.375238  0.292371  0.432302  1
  Ni  Ni162  1  0.532457  0.607785  0.458229  1
  Ni  Ni163  1  0.111007  0.765545  0.471083  1
  Ni  Ni164  1  0.268216  0.080914  0.496613  1
  Ni  Ni165  1  0.953630  0.449820  0.445173  1
  Ni  Ni166  1  0.900353  0.844381  0.477400  1
  Ni  Ni167  1  0.585881  0.213514  0.426119  1
  Ni  Ni168  1  0.743076  0.528859  0.451608  1
  Ni  Ni169  1  0.189659  0.923144  0.483805  1
  Ni  Ni170  1  0.875238  0.292371  0.432302  1
  Ni  Ni171  1  0.032457  0.607785  0.458229  1
  Ni  Ni172  1  0.953630  0.949820  0.445173  1
  Ni  Ni173  1  0.111007  0.265545  0.471083  1
  Ni  Ni174  1  0.268216  0.580914  0.496613  1
  Ni  Ni175  1  0.585881  0.713514  0.426119  1
  Ni  Ni176  1  0.743076  0.028859  0.451608  1
  Ni  Ni177  1  0.900353  0.344381  0.477400  1
  Ni  Ni178  1  0.875238  0.792371  0.432302  1
  Ni  Ni179  1  0.032457  0.107785  0.458229  1
  Ni  Ni180  1  0.189659  0.423144  0.483805  1
  Ni  Ni181  1  0.925462  0.896379  0.522503  1
  Ni  Ni182  1  0.082725  0.211881  0.548262  1
  Ni  Ni183  1  0.239934  0.527229  0.573636  1
  Ni  Ni184  1  0.557584  0.659814  0.503239  1
  Ni  Ni185  1  0.714786  0.975176  0.528756  1
  Ni  Ni186  1  0.872220  0.291008  0.554744  1
  Ni  Ni187  1  0.847038  0.738864  0.509591  1
  Ni  Ni188  1  0.004066  0.053905  0.535325  1
  Ni  Ni189  1  0.161499  0.369698  0.561040  1
  Ni  Ni190  1  0.082725  0.711881  0.548262  1
  Ni  Ni191  1  0.239934  0.027229  0.573636  1
  Ni  Ni192  1  0.925462  0.396379  0.522503  1
  Ni  Ni193  1  0.872220  0.791008  0.554744  1
  Ni  Ni194  1  0.557584  0.159814  0.503239  1
  Ni  Ni195  1  0.714786  0.475176  0.528756  1
  Ni  Ni196  1  0.161499  0.869698  0.561040  1
  Ni  Ni197  1  0.847038  0.238864  0.509591  1
  Ni  Ni198  1  0.004066  0.553905  0.535325  1
  Ni  Ni199  1  0.582725  0.711881  0.548262  1
  Ni  Ni200  1  0.739934  0.027229  0.573636  1
  Ni  Ni201  1  0.425462  0.396379  0.522503  1
  Ni  Ni202  1  0.372220  0.791008  0.554744  1
  Ni  Ni203  1  0.057584  0.159814  0.503239  1
  Ni  Ni204  1  0.214786  0.475176  0.528756  1
  Ni  Ni205  1  0.661499  0.869698  0.561040  1
  Ni  Ni206  1  0.347038  0.238864  0.509591  1
  Ni  Ni207  1  0.504066  0.553905  0.535325  1
  Ni  Ni208  1  0.425462  0.896379  0.522503  1
  Ni  Ni209  1  0.582725  0.211881  0.548262  1
  Ni  Ni210  1  0.739934  0.527229  0.573636  1
  Ni  Ni211  1  0.057584  0.659814  0.503239  1
  Ni  Ni212  1  0.214786  0.975176  0.528756  1
  Ni  Ni213  1  0.372220  0.291008  0.554744  1
  Ni  Ni214  1  0.347038  0.738864  0.509591  1
  Ni  Ni215  1  0.504066  0.053905  0.535325  1
  Ni  Ni216  1  0.661499  0.369698  0.561040  1
  Ni  Ni217  1  0.397553  0.843472  0.600069  1
  Ni  Ni218  1  0.554085  0.157504  0.625337  1
  Ni  Ni219  1  0.712080  0.474377  0.650950  1
  Ni  Ni220  1  0.029093  0.605738  0.580377  1
  Ni  Ni221  1  0.186788  0.922044  0.605976  1
  Ni  Ni222  1  0.343799  0.237053  0.631323  1
  Ni  Ni223  1  0.318611  0.684921  0.586525  1
  Ni  Ni224  1  0.475672  0.999999  0.612807  1
  Ni  Ni225  1  0.633355  0.316339  0.638030  1
  Ni  Ni226  1  0.554085  0.657504  0.625337  1
  Ni  Ni227  1  0.712080  0.974377  0.650950  1
  Ni  Ni228  1  0.397553  0.343472  0.600069  1
  Ni  Ni229  1  0.343799  0.737053  0.631323  1
  Ni  Ni230  1  0.029093  0.105738  0.580377  1
  Ni  Ni231  1  0.186788  0.422044  0.605976  1
  Ni  Ni232  1  0.633355  0.816339  0.638030  1
  Ni  Ni233  1  0.318611  0.184921  0.586525  1
  Ni  Ni234  1  0.475672  0.499999  0.612807  1
  Ni  Ni235  1  0.054085  0.657504  0.625337  1
  Ni  Ni236  1  0.212080  0.974377  0.650950  1
  Ni  Ni237  1  0.897553  0.343472  0.600069  1
  Ni  Ni238  1  0.843799  0.737053  0.631323  1
  Ni  Ni239  1  0.529093  0.105738  0.580377  1
  Ni  Ni240  1  0.686788  0.422044  0.605976  1
  Ni  Ni241  1  0.133355  0.816339  0.638030  1
  Ni  Ni242  1  0.818611  0.184921  0.586525  1
  Ni  Ni243  1  0.975672  0.499999  0.612807  1
  Ni  Ni244  1  0.897553  0.843472  0.600069  1
  Ni  Ni245  1  0.054085  0.157504  0.625337  1
  Ni  Ni246  1  0.212080  0.474377  0.650950  1
  Ni  Ni247  1  0.529093  0.605738  0.580377  1
  Ni  Ni248  1  0.686788  0.922044  0.605976  1
  Ni  Ni249  1  0.843799  0.237053  0.631323  1
  Ni  Ni250  1  0.818611  0.684921  0.586525  1
  Ni  Ni251  1  0.975672  0.999999  0.612807  1
  Ni  Ni252  1  0.133355  0.316339  0.638030  1
  Ni  Ni253  1  0.868603  0.788328  0.676031  1
  Ni  Ni254  1  0.026345  0.104871  0.703119  1
  Ni  Ni255  1  0.182189  0.417797  0.725939  1
  Ni  Ni256  1  0.500734  0.551861  0.658021  1
  Ni  Ni257  1  0.657871  0.867087  0.682438  1
  Ni  Ni258  1  0.815354  0.182938  0.707634  1
  Ni  Ni259  1  0.790655  0.631734  0.662895  1
  Ni  Ni260  1  0.947748  0.947255  0.691611  1
  Ni  Ni261  1  0.103552  0.259544  0.714764  1
  Ni  Ni262  1  0.026345  0.604871  0.703119  1
  Ni  Ni263  1  0.182189  0.917797  0.725939  1
  Ni  Ni264  1  0.868603  0.288328  0.676031  1
  Ni  Ni265  1  0.815354  0.682938  0.707634  1
  Ni  Ni266  1  0.500734  0.051861  0.658021  1
  Ni  Ni267  1  0.657871  0.367087  0.682438  1
  Ni  Ni268  1  0.103552  0.759544  0.714764  1
  Ni  Ni269  1  0.790655  0.131734  0.662895  1
  Ni  Ni270  1  0.947748  0.447255  0.691611  1
  Ni  Ni271  1  0.526345  0.604871  0.703119  1
  Ni  Ni272  1  0.682189  0.917797  0.725939  1
  Ni  Ni273  1  0.368603  0.288328  0.676031  1
  Ni  Ni274  1  0.315354  0.682938  0.707634  1
  Ni  Ni275  1  0.000734  0.051861  0.658021  1
  Ni  Ni276  1  0.157871  0.367087  0.682438  1
  Ni  Ni277  1  0.603552  0.759544  0.714764  1
  Ni  Ni278  1  0.290655  0.131734  0.662895  1
  Ni  Ni279  1  0.447748  0.447255  0.691611  1
  Ni  Ni280  1  0.368603  0.788328  0.676031  1
  Ni  Ni281  1  0.526345  0.104871  0.703119  1
  Ni  Ni282  1  0.682189  0.417797  0.725939  1
  Ni  Ni283  1  0.000734  0.551861  0.658021  1
  Ni  Ni284  1  0.157871  0.867087  0.682438  1
  Ni  Ni285  1  0.315354  0.182938  0.707634  1
  Ni  Ni286  1  0.290655  0.631734  0.662895  1
  Ni  Ni287  1  0.447748  0.947255  0.691611  1
  Ni  Ni288  1  0.603552  0.259544  0.714764  1
