# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.76792594
_cell_length_b   12.47768345
_cell_length_c   49.29196301
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.97129178
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al192 Ni64'
_cell_volume   8479.75327685
_cell_formula_units_Z   64
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  0.847890  0.031356  0.382706  1
  Al  Al2  1  0.347890  0.031356  0.382706  1
  Al  Al3  1  0.940630  0.260424  0.325335  1
  Al  Al4  1  0.440630  0.260424  0.325335  1
  Al  Al5  1  0.029099  0.509822  0.334665  1
  Al  Al6  1  0.529099  0.509822  0.334665  1
  Al  Al7  1  0.920362  0.230105  0.383502  1
  Al  Al8  1  0.420362  0.230105  0.383502  1
  Al  Al9  1  0.119478  0.246875  0.278634  1
  Al  Al10  1  0.619478  0.246875  0.278634  1
  Al  Al11  1  0.997495  0.028277  0.343721  1
  Al  Al12  1  0.497495  0.028277  0.343721  1
  Al  Al13  1  0.119139  0.626156  0.312524  1
  Al  Al14  1  0.619139  0.626156  0.312524  1
  Al  Al15  1  0.009726  0.365446  0.373257  1
  Al  Al16  1  0.509726  0.365446  0.373257  1
  Al  Al17  1  0.234602  0.412935  0.342645  1
  Al  Al18  1  0.734602  0.412935  0.342645  1
  Al  Al19  1  0.366725  0.638245  0.294068  1
  Al  Al20  1  0.866725  0.638245  0.294068  1
  Al  Al21  1  0.250920  0.751225  0.381162  1
  Al  Al22  1  0.750920  0.751225  0.381162  1
  Al  Al23  1  0.340453  0.005496  0.323057  1
  Al  Al24  1  0.840453  0.005496  0.323057  1
  Al  Al25  1  0.301813  0.220727  0.297068  1
  Al  Al26  1  0.801813  0.220727  0.297068  1
  Al  Al27  1  0.228165  0.952598  0.355137  1
  Al  Al28  1  0.728165  0.952598  0.355137  1
  Al  Al29  1  0.342700  0.528110  0.337823  1
  Al  Al30  1  0.842700  0.528110  0.337823  1
  Al  Al31  1  0.439099  0.804439  0.282334  1
  Al  Al32  1  0.939099  0.804439  0.282334  1
  Al  Al33  1  0.034607  0.818100  0.367751  1
  Al  Al34  1  0.534607  0.818100  0.367751  1
  Al  Al35  1  0.125805  0.059314  0.309763  1
  Al  Al36  1  0.625805  0.059314  0.309763  1
  Al  Al37  1  0.304572  0.442665  0.290313  1
  Al  Al38  1  0.804572  0.442665  0.290313  1
  Al  Al39  1  0.152654  0.250628  0.333808  1
  Al  Al40  1  0.652654  0.250628  0.333808  1
  Al  Al41  1  0.479350  0.017574  0.287739  1
  Al  Al42  1  0.979350  0.017574  0.287739  1
  Al  Al43  1  0.412290  0.750845  0.339099  1
  Al  Al44  1  0.912290  0.750845  0.339099  1
  Al  Al45  1  0.085128  0.544706  0.384389  1
  Al  Al46  1  0.585128  0.544706  0.384389  1
  Al  Al47  1  0.188323  0.782964  0.327425  1
  Al  Al48  1  0.688323  0.782964  0.327425  1
  Al  Al49  1  0.651177  0.537243  0.494746  1
  Al  Al50  1  0.151177  0.537243  0.494746  1
  Al  Al51  1  0.749164  0.786821  0.439113  1
  Al  Al52  1  0.249164  0.786821  0.439113  1
  Al  Al53  1  0.827461  0.983743  0.441201  1
  Al  Al54  1  0.327461  0.983743  0.441201  1
  Al  Al55  1  0.730253  0.735996  0.497197  1
  Al  Al56  1  0.230253  0.735996  0.497197  1
  Al  Al57  1  0.906776  0.776914  0.396144  1
  Al  Al58  1  0.406776  0.776914  0.396144  1
  Al  Al59  1  0.811379  0.524430  0.450578  1
  Al  Al60  1  0.311379  0.524430  0.450578  1
  Al  Al61  1  0.917173  0.115446  0.430697  1
  Al  Al62  1  0.417173  0.115446  0.430697  1
  Al  Al63  1  0.819797  0.867195  0.486463  1
  Al  Al64  1  0.319797  0.867195  0.486463  1
  Al  Al65  1  0.051006  0.913684  0.457487  1
  Al  Al66  1  0.551006  0.913684  0.457487  1
  Al  Al67  1  0.146109  0.163500  0.400603  1
  Al  Al68  1  0.646109  0.163500  0.400603  1
  Al  Al69  1  0.058181  0.254726  0.492747  1
  Al  Al70  1  0.558181  0.254726  0.492747  1
  Al  Al71  1  0.155664  0.500625  0.437388  1
  Al  Al72  1  0.655664  0.500625  0.437388  1
  Al  Al73  1  0.134161  0.701312  0.411298  1
  Al  Al74  1  0.634161  0.701312  0.411298  1
  Al  Al75  1  0.033452  0.455312  0.466523  1
  Al  Al76  1  0.533452  0.455312  0.466523  1
  Al  Al77  1  0.138336  0.047561  0.446141  1
  Al  Al78  1  0.638336  0.047561  0.446141  1
  Al  Al79  1  0.232366  0.297111  0.389600  1
  Al  Al80  1  0.732366  0.297111  0.389600  1
  Al  Al81  1  0.835242  0.323342  0.476706  1
  Al  Al82  1  0.335242  0.323342  0.476706  1
  Al  Al83  1  0.932081  0.572730  0.421941  1
  Al  Al84  1  0.432081  0.572730  0.421941  1
  Al  Al85  1  0.075891  0.986516  0.395132  1
  Al  Al86  1  0.575891  0.986516  0.395132  1
  Al  Al87  1  0.979606  0.735415  0.450598  1
  Al  Al88  1  0.479606  0.735415  0.450598  1
  Al  Al89  1  0.313528  0.489495  0.392341  1
  Al  Al90  1  0.813528  0.489495  0.392341  1
  Al  Al91  1  0.216826  0.242378  0.448307  1
  Al  Al92  1  0.716826  0.242378  0.448307  1
  Al  Al93  1  0.890601  0.045097  0.493376  1
  Al  Al94  1  0.390601  0.045097  0.493376  1
  Al  Al95  1  0.986654  0.292555  0.437278  1
  Al  Al96  1  0.486654  0.292555  0.437278  1
  Al  Al97  1  0.458523  0.042912  0.606934  1
  Al  Al98  1  0.958523  0.042912  0.606934  1
  Al  Al99  1  0.555226  0.290029  0.550967  1
  Al  Al100  1  0.055226  0.290029  0.550967  1
  Al  Al101  1  0.633716  0.484847  0.553133  1
  Al  Al102  1  0.133716  0.484847  0.553133  1
  Al  Al103  1  0.539685  0.235297  0.609675  1
  Al  Al104  1  0.039685  0.235297  0.609675  1
  Al  Al105  1  0.713870  0.277682  0.506527  1
  Al  Al106  1  0.213870  0.277682  0.506527  1
  Al  Al107  1  0.616387  0.031782  0.561887  1
  Al  Al108  1  0.116387  0.031782  0.561887  1
  Al  Al109  1  0.721046  0.618724  0.541788  1
  Al  Al110  1  0.221046  0.618724  0.541788  1
  Al  Al111  1  0.625943  0.368908  0.598672  1
  Al  Al112  1  0.125943  0.368908  0.598672  1
  Al  Al113  1  0.854879  0.416961  0.568578  1
  Al  Al114  1  0.354879  0.416961  0.568578  1
  Al  Al115  1  0.952254  0.665212  0.512811  1
  Al  Al116  1  0.452254  0.665212  0.512811  1
  Al  Al117  1  0.865275  0.755493  0.603130  1
  Al  Al118  1  0.365275  0.755493  0.603130  1
  Al  Al119  1  0.960672  0.007977  0.548697  1
  Al  Al120  1  0.460672  0.007977  0.548697  1
  Al  Al121  1  0.936809  0.209065  0.522568  1
  Al  Al122  1  0.436809  0.209065  0.522568  1
  Al  Al123  1  0.839971  0.959677  0.577333  1
  Al  Al124  1  0.339971  0.959677  0.577333  1
  Al  Al125  1  0.944590  0.548664  0.558073  1
  Al  Al126  1  0.444590  0.548664  0.558073  1
  Al  Al127  1  0.041798  0.796411  0.502078  1
  Al  Al128  1  0.541798  0.796411  0.502078  1
  Al  Al129  1  0.637890  0.831095  0.587976  1
  Al  Al130  1  0.137890  0.831095  0.587976  1
  Al  Al131  1  0.738600  0.077096  0.532752  1
  Al  Al132  1  0.238600  0.077096  0.532752  1
  Al  Al133  1  0.881450  0.487310  0.505899  1
  Al  Al134  1  0.381450  0.487310  0.505899  1
  Al  Al135  1  0.785397  0.239852  0.561997  1
  Al  Al136  1  0.285397  0.239852  0.561997  1
  Al  Al137  1  0.120874  0.995164  0.504528  1
  Al  Al138  1  0.620874  0.995164  0.504528  1
  Al  Al139  1  0.022887  0.745587  0.560162  1
  Al  Al140  1  0.522887  0.745587  0.560162  1
  Al  Al141  1  0.696160  0.545891  0.604142  1
  Al  Al142  1  0.196160  0.545891  0.604142  1
  Al  Al143  1  0.792445  0.796993  0.548677  1
  Al  Al144  1  0.292445  0.796993  0.548677  1
  Al  Al145  1  0.292701  0.514833  0.711536  1
  Al  Al146  1  0.792701  0.514833  0.711536  1
  Al  Al147  1  0.359761  0.781563  0.660176  1
  Al  Al148  1  0.859761  0.781563  0.660176  1
  Al  Al149  1  0.429351  0.004297  0.661452  1
  Al  Al150  1  0.929351  0.004297  0.661452  1
  Al  Al151  1  0.332953  0.727969  0.716940  1
  Al  Al152  1  0.832953  0.727969  0.716940  1
  Al  Al153  1  0.521131  0.781182  0.618113  1
  Al  Al154  1  0.021131  0.781182  0.618113  1
  Al  Al155  1  0.431599  0.526911  0.676218  1
  Al  Al156  1  0.931599  0.526911  0.676218  1
  Al  Al157  1  0.537450  0.119473  0.656629  1
  Al  Al158  1  0.037450  0.119473  0.656629  1
  Al  Al159  1  0.405327  0.894163  0.705206  1
  Al  Al160  1  0.905327  0.894163  0.705206  1
  Al  Al161  1  0.652913  0.906251  0.686751  1
  Al  Al162  1  0.152913  0.906251  0.686751  1
  Al  Al163  1  0.762325  0.166961  0.626018  1
  Al  Al164  1  0.262325  0.166961  0.626018  1
  Al  Al165  1  0.652573  0.285532  0.720641  1
  Al  Al166  1  0.152573  0.285532  0.720641  1
  Al  Al167  1  0.774556  0.504130  0.655554  1
  Al  Al168  1  0.274556  0.504130  0.655554  1
  Al  Al169  1  0.737444  0.714307  0.631524  1
  Al  Al170  1  0.237444  0.714307  0.631524  1
  Al  Al171  1  0.646246  0.473093  0.689512  1
  Al  Al172  1  0.146246  0.473093  0.689512  1
  Al  Al173  1  0.742953  0.022585  0.664610  1
  Al  Al174  1  0.242953  0.022585  0.664610  1
  Al  Al175  1  0.851689  0.302302  0.615772  1
  Al  Al176  1  0.351689  0.302302  0.615772  1
  Al  Al177  1  0.470238  0.311680  0.702207  1
  Al  Al178  1  0.970238  0.311680  0.702207  1
  Al  Al179  1  0.543886  0.579809  0.644137  1
  Al  Al180  1  0.043886  0.579809  0.644137  1
  Al  Al181  1  0.686923  0.987701  0.614885  1
  Al  Al182  1  0.186923  0.987701  0.614885  1
  Al  Al183  1  0.583729  0.749443  0.671850  1
  Al  Al184  1  0.083729  0.749443  0.671850  1
  Al  Al185  1  0.924161  0.501051  0.616569  1
  Al  Al186  1  0.424161  0.501051  0.616569  1
  Al  Al187  1  0.831421  0.271983  0.673939  1
  Al  Al188  1  0.331421  0.271983  0.673939  1
  Al  Al189  1  0.467480  0.089742  0.708961  1
  Al  Al190  1  0.967480  0.089742  0.708961  1
  Al  Al191  1  0.619397  0.281779  0.665466  1
  Al  Al192  1  0.119397  0.281779  0.665466  1
  Ni  Ni193  1  0.324554  0.189096  0.347717  1
  Ni  Ni194  1  0.824554  0.189096  0.347717  1
  Ni  Ni195  1  0.478330  0.408304  0.302560  1
  Ni  Ni196  1  0.978330  0.408304  0.302560  1
  Ni  Ni197  1  0.146190  0.415560  0.298545  1
  Ni  Ni198  1  0.646190  0.415560  0.298545  1
  Ni  Ni199  1  0.075501  0.145502  0.358117  1
  Ni  Ni200  1  0.575501  0.145502  0.358117  1
  Ni  Ni201  1  0.015972  0.846275  0.319920  1
  Ni  Ni202  1  0.515972  0.846275  0.319920  1
  Ni  Ni203  1  0.917080  0.592062  0.373055  1
  Ni  Ni204  1  0.417080  0.592062  0.373055  1
  Ni  Ni205  1  0.182046  0.625679  0.360500  1
  Ni  Ni206  1  0.682046  0.625679  0.360500  1
  Ni  Ni207  1  0.280739  0.868239  0.305655  1
  Ni  Ni208  1  0.780739  0.868239  0.305655  1
  Ni  Ni209  1  0.147440  0.689318  0.460823  1
  Ni  Ni210  1  0.647440  0.689318  0.460823  1
  Ni  Ni211  1  0.242649  0.939832  0.404869  1
  Ni  Ni212  1  0.742649  0.939832  0.404869  1
  Ni  Ni213  1  0.978980  0.895189  0.415171  1
  Ni  Ni214  1  0.478980  0.895189  0.415171  1
  Ni  Ni215  1  0.879495  0.647464  0.470225  1
  Ni  Ni216  1  0.379495  0.647464  0.470225  1
  Ni  Ni217  1  0.819780  0.337267  0.426330  1
  Ni  Ni218  1  0.319780  0.337267  0.426330  1
  Ni  Ni219  1  0.722966  0.090708  0.482802  1
  Ni  Ni220  1  0.222966  0.090708  0.482802  1
  Ni  Ni221  1  0.989659  0.132865  0.473613  1
  Ni  Ni222  1  0.489659  0.132865  0.473613  1
  Ni  Ni223  1  0.084396  0.380896  0.417173  1
  Ni  Ni224  1  0.584396  0.380896  0.417173  1
  Ni  Ni225  1  0.952272  0.195141  0.572945  1
  Ni  Ni226  1  0.452272  0.195141  0.572945  1
  Ni  Ni227  1  0.049086  0.441700  0.516472  1
  Ni  Ni228  1  0.549086  0.441700  0.516472  1
  Ni  Ni229  1  0.782392  0.399542  0.525662  1
  Ni  Ni230  1  0.282392  0.399542  0.525662  1
  Ni  Ni231  1  0.687656  0.151512  0.582101  1
  Ni  Ni232  1  0.187656  0.151512  0.582101  1
  Ni  Ni233  1  0.624612  0.843089  0.538451  1
  Ni  Ni234  1  0.124612  0.843089  0.538451  1
  Ni  Ni235  1  0.529402  0.592575  0.594405  1
  Ni  Ni236  1  0.029402  0.592575  0.594405  1
  Ni  Ni237  1  0.793072  0.637219  0.584104  1
  Ni  Ni238  1  0.293072  0.637219  0.584104  1
  Ni  Ni239  1  0.892556  0.884943  0.529049  1
  Ni  Ni240  1  0.392556  0.884943  0.529049  1
  Ni  Ni241  1  0.756079  0.686133  0.679354  1
  Ni  Ni242  1  0.256079  0.686133  0.679354  1
  Ni  Ni243  1  0.854972  0.940345  0.626220  1
  Ni  Ni244  1  0.354972  0.940345  0.626220  1
  Ni  Ni245  1  0.590005  0.906728  0.638775  1
  Ni  Ni246  1  0.090005  0.906728  0.638775  1
  Ni  Ni247  1  0.491313  0.664168  0.693619  1
  Ni  Ni248  1  0.991313  0.664168  0.693619  1
  Ni  Ni249  1  0.447498  0.343312  0.651558  1
  Ni  Ni250  1  0.947498  0.343312  0.651558  1
  Ni  Ni251  1  0.293722  0.124103  0.696715  1
  Ni  Ni252  1  0.793722  0.124103  0.696715  1
  Ni  Ni253  1  0.625861  0.116847  0.700729  1
  Ni  Ni254  1  0.125861  0.116847  0.700729  1
  Ni  Ni255  1  0.696551  0.386905  0.641158  1
  Ni  Ni256  1  0.196551  0.386905  0.641158  1
