# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.51656502
_cell_length_b   16.45311129
_cell_length_c   45.82960169
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.68319602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al192 Ni64'
_cell_volume   8472.04822302
_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  0.728385  0.255636  0.368561  1
  Al  Al2  1  0.100729  0.317479  0.316711  1
  Al  Al3  1  0.228385  0.755636  0.368561  1
  Al  Al4  1  0.600729  0.817479  0.316711  1
  Al  Al5  1  0.355267  0.411934  0.316276  1
  Al  Al6  1  0.993486  0.356751  0.370447  1
  Al  Al7  1  0.855267  0.911934  0.316276  1
  Al  Al8  1  0.493486  0.856751  0.370447  1
  Al  Al9  1  0.288928  0.237433  0.295619  1
  Al  Al10  1  0.938164  0.177669  0.347541  1
  Al  Al11  1  0.788928  0.737433  0.295619  1
  Al  Al12  1  0.438164  0.677669  0.347541  1
  Al  Al13  1  0.598201  0.465612  0.308371  1
  Al  Al14  1  0.225857  0.412097  0.363952  1
  Al  Al15  1  0.098201  0.965612  0.308371  1
  Al  Al16  1  0.725857  0.912097  0.363952  1
  Al  Al17  1  0.582498  0.370115  0.355241  1
  Al  Al18  1  0.942465  0.424969  0.300221  1
  Al  Al19  1  0.082498  0.870115  0.355241  1
  Al  Al20  1  0.442465  0.924969  0.300221  1
  Al  Al21  1  0.875797  0.604411  0.370752  1
  Al  Al22  1  0.235862  0.658803  0.316956  1
  Al  Al23  1  0.375797  0.104411  0.370752  1
  Al  Al24  1  0.735862  0.158803  0.316956  1
  Al  Al25  1  0.524142  0.192710  0.331958  1
  Al  Al26  1  0.916675  0.239453  0.283240  1
  Al  Al27  1  0.024142  0.692710  0.331958  1
  Al  Al28  1  0.416675  0.739453  0.283240  1
  Al  Al29  1  0.819666  0.425787  0.349218  1
  Al  Al30  1  0.184969  0.483909  0.295169  1
  Al  Al31  1  0.319666  0.925787  0.349218  1
  Al  Al32  1  0.684969  0.983909  0.295169  1
  Al  Al33  1  0.643969  0.644982  0.332730  1
  Al  Al34  1  0.280824  0.590818  0.385749  1
  Al  Al35  1  0.143969  0.144982  0.332730  1
  Al  Al36  1  0.780824  0.090818  0.385749  1
  Al  Al37  1  0.700200  0.321466  0.302773  1
  Al  Al38  1  0.340310  0.273773  0.353497  1
  Al  Al39  1  0.200200  0.821466  0.302773  1
  Al  Al40  1  0.840310  0.773773  0.353497  1
  Al  Al41  1  0.444690  0.578005  0.298155  1
  Al  Al42  1  0.077441  0.525151  0.348906  1
  Al  Al43  1  0.944690  0.078005  0.298155  1
  Al  Al44  1  0.577441  0.025151  0.348906  1
  Al  Al45  1  0.471106  0.509595  0.364811  1
  Al  Al46  1  0.828907  0.565616  0.312833  1
  Al  Al47  1  0.971106  0.009595  0.364811  1
  Al  Al48  1  0.328907  0.065616  0.312833  1
  Al  Al49  1  0.009201  0.142572  0.481865  1
  Al  Al50  1  0.371282  0.199535  0.425784  1
  Al  Al51  1  0.509201  0.642572  0.481865  1
  Al  Al52  1  0.871282  0.699535  0.425784  1
  Al  Al53  1  0.629407  0.299232  0.425928  1
  Al  Al54  1  0.269829  0.242804  0.482258  1
  Al  Al55  1  0.129407  0.799232  0.425928  1
  Al  Al56  1  0.769829  0.742804  0.482258  1
  Al  Al57  1  0.574454  0.121739  0.403450  1
  Al  Al58  1  0.214210  0.065262  0.459817  1
  Al  Al59  1  0.074454  0.621739  0.403450  1
  Al  Al60  1  0.714210  0.565262  0.459817  1
  Al  Al61  1  0.865512  0.356350  0.419665  1
  Al  Al62  1  0.504749  0.299897  0.475862  1
  Al  Al63  1  0.365512  0.856350  0.419665  1
  Al  Al64  1  1.004749  0.799897  0.475862  1
  Al  Al65  1  0.862702  0.257127  0.467003  1
  Al  Al66  1  0.225570  0.314747  0.411745  1
  Al  Al67  1  0.362702  0.757127  0.467003  1
  Al  Al68  1  0.725570  0.814747  0.411745  1
  Al  Al69  1  0.154017  0.491605  0.483071  1
  Al  Al70  1  0.515133  0.548323  0.426873  1
  Al  Al71  1  0.654017  0.991605  0.483071  1
  Al  Al72  1  0.015133  0.048323  0.426873  1
  Al  Al73  1  0.808173  0.081498  0.444699  1
  Al  Al74  1  0.170547  0.136086  0.389483  1
  Al  Al75  1  0.308173  0.581498  0.444699  1
  Al  Al76  1  0.670547  0.636086  0.389483  1
  Al  Al77  1  0.098344  0.314219  0.461115  1
  Al  Al78  1  0.459853  0.371605  0.404495  1
  Al  Al79  1  0.598344  0.814219  0.461115  1
  Al  Al80  1  0.959853  0.871605  0.404495  1
  Al  Al81  1  0.921072  0.532734  0.442057  1
  Al  Al82  1  0.559516  0.476195  0.498015  1
  Al  Al83  1  0.421072  0.032734  0.442057  1
  Al  Al84  1  0.059516  0.976195  0.498015  1
  Al  Al85  1  0.980033  0.216932  0.408717  1
  Al  Al86  1  0.619318  0.160758  0.464048  1
  Al  Al87  1  0.480033  0.716932  0.408717  1
  Al  Al88  1  0.119318  0.660758  0.464048  1
  Al  Al89  1  0.719931  0.469784  0.405223  1
  Al  Al90  1  0.357983  0.415016  0.460853  1
  Al  Al91  1  0.219931  0.969784  0.405223  1
  Al  Al92  1  0.857983  0.915016  0.460853  1
  Al  Al93  1  0.748377  0.396479  0.478626  1
  Al  Al94  1  0.110094  0.453046  0.422649  1
  Al  Al95  1  0.248377  0.896479  0.478626  1
  Al  Al96  1  0.610094  0.953046  0.422649  1
  Al  Al97  1  0.287294  0.030712  0.593834  1
  Al  Al98  1  0.649241  0.085480  0.538204  1
  Al  Al99  1  0.787294  0.530712  0.593834  1
  Al  Al100  1  0.149241  0.585480  0.538204  1
  Al  Al101  1  0.908881  0.186277  0.537942  1
  Al  Al102  1  0.547372  0.128890  0.594562  1
  Al  Al103  1  0.408881  0.686277  0.537942  1
  Al  Al104  1  0.047372  0.628890  0.594562  1
  Al  Al105  1  0.853208  0.008891  0.515987  1
  Al  Al106  1  0.492092  0.952173  0.572185  1
  Al  Al107  1  0.353208  0.508891  0.515987  1
  Al  Al108  1  0.992092  0.452173  0.572185  1
  Al  Al109  1  0.144523  0.243369  0.532055  1
  Al  Al110  1  0.781655  0.185749  0.587313  1
  Al  Al111  1  0.644523  0.743369  0.532055  1
  Al  Al112  1  0.281655  0.685749  0.587313  1
  Al  Al113  1  0.141713  0.144146  0.579392  1
  Al  Al114  1  0.502476  0.200599  0.523195  1
  Al  Al115  1  0.641713  0.644146  0.579392  1
  Al  Al116  1  1.002476  0.700599  0.523195  1
  Al  Al117  1  0.432771  0.378757  0.595607  1
  Al  Al118  1  0.793015  0.435234  0.539240  1
  Al  Al119  1  0.932771  0.878757  0.595607  1
  Al  Al120  1  0.293015  0.935234  0.539240  1
  Al  Al121  1  0.086153  0.967762  0.557001  1
  Al  Al122  1  0.447709  0.024301  0.501043  1
  Al  Al123  1  0.586153  0.467762  0.557001  1
  Al  Al124  1  0.947709  0.524301  0.501043  1
  Al  Al125  1  0.377818  0.201264  0.573129  1
  Al  Al126  1  0.737396  0.257691  0.516800  1
  Al  Al127  1  0.877818  0.701264  0.573129  1
  Al  Al128  1  0.237396  0.757691  0.516800  1
  Al  Al129  1  0.199052  0.418998  0.554358  1
  Al  Al130  1  0.836677  0.364409  0.609574  1
  Al  Al131  1  0.699052  0.918998  0.554358  1
  Al  Al132  1  0.336677  0.864409  0.609574  1
  Al  Al133  1  0.258848  0.104016  0.520431  1
  Al  Al134  1  0.897131  0.047450  0.576409  1
  Al  Al135  1  0.758848  0.604016  0.520431  1
  Al  Al136  1  0.397131  0.547450  0.576409  1
  Al  Al137  1  0.998024  0.357924  0.517192  1
  Al  Al138  1  0.635943  0.300961  0.573273  1
  Al  Al139  1  0.498024  0.857924  0.517192  1
  Al  Al140  1  0.135943  0.800961  0.573273  1
  Al  Al141  1  0.027191  0.283563  0.590340  1
  Al  Al142  1  0.387907  0.339738  0.535009  1
  Al  Al143  1  0.527191  0.783563  0.590340  1
  Al  Al144  1  0.887907  0.839738  0.535009  1
  Al  Al145  1  0.562535  0.922491  0.700903  1
  Al  Al146  1  0.929784  0.975345  0.650152  1
  Al  Al147  1  0.062535  0.422491  0.700903  1
  Al  Al148  1  0.429784  0.475345  0.650152  1
  Al  Al149  1  0.187559  0.074708  0.649839  1
  Al  Al150  1  0.822256  0.016587  0.703888  1
  Al  Al151  1  0.687559  0.574708  0.649839  1
  Al  Al152  1  0.322256  0.516587  0.703888  1
  Al  Al153  1  0.131428  0.896084  0.628306  1
  Al  Al154  1  0.771363  0.841692  0.682101  1
  Al  Al155  1  0.631428  0.396084  0.628306  1
  Al  Al156  1  0.271363  0.341692  0.682101  1
  Al  Al157  1  0.424727  0.130381  0.643816  1
  Al  Al158  1  0.064760  0.075527  0.698836  1
  Al  Al159  1  0.924727  0.630381  0.643816  1
  Al  Al160  1  0.564760  0.575527  0.698836  1
  Al  Al161  1  0.409024  0.034883  0.690686  1
  Al  Al162  1  0.781368  0.088399  0.635105  1
  Al  Al163  1  0.909024  0.534883  0.690686  1
  Al  Al164  1  0.281368  0.588399  0.635105  1
  Al  Al165  1  0.718297  0.263062  0.703438  1
  Al  Al166  1  0.069060  0.322827  0.651516  1
  Al  Al167  1  0.218297  0.763062  0.703438  1
  Al  Al168  1  0.569060  0.822827  0.651516  1
  Al  Al169  1  0.363255  0.855513  0.666328  1
  Al  Al170  1  0.726401  0.909678  0.613308  1
  Al  Al171  1  0.863255  0.355513  0.666328  1
  Al  Al172  1  0.226401  0.409678  0.613308  1
  Al  Al173  1  0.651958  0.088562  0.682781  1
  Al  Al174  1  0.013739  0.143745  0.628610  1
  Al  Al175  1  0.151958  0.588562  0.682781  1
  Al  Al176  1  0.513739  0.643745  0.628610  1
  Al  Al177  1  0.483083  0.307786  0.667100  1
  Al  Al178  1  0.090550  0.261043  0.715817  1
  Al  Al179  1  0.983083  0.807786  0.667100  1
  Al  Al180  1  0.590550  0.761043  0.715817  1
  Al  Al181  1  0.536119  0.990901  0.634246  1
  Al  Al182  1  0.178318  0.934880  0.686224  1
  Al  Al183  1  0.036119  0.490901  0.634246  1
  Al  Al184  1  0.678318  0.434880  0.686224  1
  Al  Al185  1  0.278840  0.244859  0.630497  1
  Al  Al186  1  0.906495  0.183016  0.682346  1
  Al  Al187  1  0.778840  0.744859  0.630497  1
  Al  Al188  1  0.406495  0.683016  0.682346  1
  Al  Al189  1  0.307025  0.179030  0.696284  1
  Al  Al190  1  0.666915  0.226722  0.645560  1
  Al  Al191  1  0.807025  0.679030  0.696284  1
  Al  Al192  1  0.166915  0.726722  0.645560  1
  Ni  Ni193  1  0.506271  0.242292  0.382634  1
  Ni  Ni194  1  0.873986  0.298784  0.328751  1
  Ni  Ni195  1  1.006271  0.742292  0.382634  1
  Ni  Ni196  1  0.373986  0.798784  0.328751  1
  Ni  Ni197  1  0.485355  0.317127  0.308465  1
  Ni  Ni198  1  0.127256  0.261178  0.365536  1
  Ni  Ni199  1  0.985355  0.817127  0.308465  1
  Ni  Ni200  1  0.627256  0.761178  0.365536  1
  Ni  Ni201  1  0.661847  0.599109  0.282924  1
  Ni  Ni202  1  0.301159  0.539354  0.337447  1
  Ni  Ni203  1  0.161847  0.099109  0.282924  1
  Ni  Ni204  1  0.801159  0.039354  0.337447  1
  Ni  Ni205  1  0.684954  0.519492  0.355405  1
  Ni  Ni206  1  0.041297  0.576334  0.299388  1
  Ni  Ni207  1  0.184954  0.019492  0.355405  1
  Ni  Ni208  1  0.541297  0.076334  0.299388  1
  Ni  Ni209  1  0.783872  0.129569  0.494953  1
  Ni  Ni210  1  0.145809  0.186406  0.439169  1
  Ni  Ni211  1  0.283872  0.629569  0.494953  1
  Ni  Ni212  1  0.645809  0.686406  0.439169  1
  Ni  Ni213  1  0.765621  0.206306  0.419552  1
  Ni  Ni214  1  0.405667  0.148877  0.476103  1
  Ni  Ni215  1  0.265621  0.706306  0.419552  1
  Ni  Ni216  1  0.905667  0.648877  0.476103  1
  Ni  Ni217  1  0.944266  0.483971  0.391946  1
  Ni  Ni218  1  0.582972  0.427298  0.447915  1
  Ni  Ni219  1  0.444266  0.983971  0.391946  1
  Ni  Ni220  1  0.082972  0.927298  0.447915  1
  Ni  Ni221  1  0.962211  0.407987  0.466899  1
  Ni  Ni222  1  0.324490  0.466158  0.410226  1
  Ni  Ni223  1  0.462211  0.907987  0.466899  1
  Ni  Ni224  1  0.824490  0.966158  0.410226  1
  Ni  Ni225  1  0.062959  0.016525  0.607111  1
  Ni  Ni226  1  0.424253  0.073197  0.551142  1
  Ni  Ni227  1  0.562959  0.516525  0.607111  1
  Ni  Ni228  1  0.924253  0.573197  0.551142  1
  Ni  Ni229  1  0.045014  0.092508  0.532158  1
  Ni  Ni230  1  0.682735  0.034338  0.588831  1
  Ni  Ni231  1  0.545014  0.592508  0.532158  1
  Ni  Ni232  1  0.182735  0.534338  0.588831  1
  Ni  Ni233  1  0.223353  0.370927  0.504104  1
  Ni  Ni234  1  0.861416  0.314090  0.559888  1
  Ni  Ni235  1  0.723353  0.870927  0.504104  1
  Ni  Ni236  1  0.361416  0.814090  0.559888  1
  Ni  Ni237  1  0.241604  0.294190  0.579505  1
  Ni  Ni238  1  0.601558  0.351619  0.522954  1
  Ni  Ni239  1  0.741604  0.794190  0.579505  1
  Ni  Ni240  1  0.101558  0.851619  0.522954  1
  Ni  Ni241  1  0.345378  0.901387  0.716133  1
  Ni  Ni242  1  0.706066  0.961141  0.661611  1
  Ni  Ni243  1  0.845378  0.401387  0.716133  1
  Ni  Ni244  1  0.206066  0.461141  0.661611  1
  Ni  Ni245  1  0.322271  0.981004  0.643652  1
  Ni  Ni246  1  0.965928  0.924162  0.699670  1
  Ni  Ni247  1  0.822271  0.481004  0.643652  1
  Ni  Ni248  1  0.465928  0.424162  0.699670  1
  Ni  Ni249  1  0.500954  0.258203  0.616423  1
  Ni  Ni250  1  0.133239  0.201712  0.670306  1
  Ni  Ni251  1  1.000954  0.758203  0.616423  1
  Ni  Ni252  1  0.633239  0.701712  0.670306  1
  Ni  Ni253  1  0.521870  0.183369  0.690592  1
  Ni  Ni254  1  0.879969  0.239318  0.633521  1
  Ni  Ni255  1  0.021870  0.683369  0.690592  1
  Ni  Ni256  1  0.379969  0.739318  0.633521  1
