# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.67193653
_cell_length_b   17.56078283
_cell_length_c   47.40121711
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.59108083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al240 Ni80'
_cell_volume   9655.03087198
_cell_formula_units_Z   80
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  0.980935  0.385225  0.338514  1
  Al  Al2  1  0.480935  0.885225  0.338514  1
  Al  Al3  1  0.568141  0.401420  0.293012  1
  Al  Al4  1  0.068141  0.901420  0.293012  1
  Al  Al5  1  0.227274  0.505505  0.342702  1
  Al  Al6  1  0.727274  0.005505  0.342702  1
  Al  Al7  1  0.828954  0.479325  0.282989  1
  Al  Al8  1  0.328954  0.979325  0.282989  1
  Al  Al9  1  0.268687  0.278963  0.321075  1
  Al  Al10  1  0.768687  0.778963  0.321075  1
  Al  Al11  1  0.859059  0.321668  0.278362  1
  Al  Al12  1  0.359059  0.821668  0.278362  1
  Al  Al13  1  1.007655  0.517084  0.316229  1
  Al  Al14  1  0.507655  0.017084  0.316229  1
  Al  Al15  1  0.651396  0.580735  0.272532  1
  Al  Al16  1  0.151396  0.080735  0.272532  1
  Al  Al17  1  0.408113  0.520961  0.303625  1
  Al  Al18  1  0.908113  0.020961  0.303625  1
  Al  Al19  1  0.827518  0.497495  0.352806  1
  Al  Al20  1  0.327518  0.997495  0.352806  1
  Al  Al21  1  0.158927  0.755512  0.292589  1
  Al  Al22  1  0.658927  0.255512  0.292589  1
  Al  Al23  1  0.588704  0.750844  0.352814  1
  Al  Al24  1  0.088704  0.250844  0.352814  1
  Al  Al25  1  0.338460  0.365315  0.280288  1
  Al  Al26  1  0.838460  0.865315  0.280288  1
  Al  Al27  1  0.868283  0.266210  0.331321  1
  Al  Al28  1  0.368283  0.766210  0.331321  1
  Al  Al29  1  0.185680  0.530218  0.282562  1
  Al  Al30  1  0.685680  0.030218  0.282562  1
  Al  Al31  1  0.630368  0.522838  0.324464  1
  Al  Al32  1  0.130368  0.022838  0.324464  1
  Al  Al33  1  0.992428  0.758793  0.334325  1
  Al  Al34  1  0.492428  0.258793  0.334325  1
  Al  Al35  1  0.691461  0.738604  0.268813  1
  Al  Al36  1  0.191461  0.238604  0.268813  1
  Al  Al37  1  0.052809  0.400168  0.269513  1
  Al  Al38  1  0.552809  0.900168  0.269513  1
  Al  Al39  1  0.595147  0.378047  0.349643  1
  Al  Al40  1  0.095147  0.878047  0.349643  1
  Al  Al41  1  0.465554  0.668967  0.289342  1
  Al  Al42  1  0.965554  0.168967  0.289342  1
  Al  Al43  1  0.876880  0.637205  0.337938  1
  Al  Al44  1  0.376880  0.137205  0.337938  1
  Al  Al45  1  0.266719  0.641324  0.323777  1
  Al  Al46  1  0.766719  0.141324  0.323777  1
  Al  Al47  1  0.877223  0.637841  0.282530  1
  Al  Al48  1  0.377223  0.137841  0.282530  1
  Al  Al49  1  0.826221  0.325195  0.426383  1
  Al  Al50  1  0.326221  0.825195  0.426383  1
  Al  Al51  1  0.406455  0.356969  0.381735  1
  Al  Al52  1  0.906455  0.856969  0.381735  1
  Al  Al53  1  0.074886  0.441559  0.434559  1
  Al  Al54  1  0.574886  0.941559  0.434559  1
  Al  Al55  1  0.652106  0.473074  0.388639  1
  Al  Al56  1  0.152106  0.973074  0.388639  1
  Al  Al57  1  0.113709  0.213140  0.412243  1
  Al  Al58  1  0.613709  0.713140  0.412243  1
  Al  Al59  1  0.690268  0.245460  0.365438  1
  Al  Al60  1  0.190268  0.745460  0.365438  1
  Al  Al61  1  0.867596  0.466805  0.408492  1
  Al  Al62  1  0.367596  0.966805  0.408492  1
  Al  Al63  1  0.449034  0.502782  0.361451  1
  Al  Al64  1  0.949034  0.002782  0.361451  1
  Al  Al65  1  0.251661  0.465553  0.399541  1
  Al  Al66  1  0.751661  0.965553  0.399541  1
  Al  Al67  1  0.672776  0.433498  0.444826  1
  Al  Al68  1  0.172776  0.933498  0.444826  1
  Al  Al69  1  0.008144  0.718309  0.395013  1
  Al  Al70  1  0.508144  0.218309  0.395013  1
  Al  Al71  1  0.429563  0.685760  0.441059  1
  Al  Al72  1  0.929563  0.185760  0.441059  1
  Al  Al73  1  0.292166  0.238281  0.377564  1
  Al  Al74  1  0.792166  0.738281  0.377564  1
  Al  Al75  1  0.710557  0.206797  0.422465  1
  Al  Al76  1  0.210557  0.706797  0.422465  1
  Al  Al77  1  0.044401  0.490779  0.373731  1
  Al  Al78  1  0.544401  0.990779  0.373731  1
  Al  Al79  1  0.466868  0.460508  0.419126  1
  Al  Al80  1  0.966868  0.960508  0.419126  1
  Al  Al81  1  0.831656  0.693221  0.430878  1
  Al  Al82  1  0.331656  0.193221  0.430878  1
  Al  Al83  1  0.408356  0.723791  0.384860  1
  Al  Al84  1  0.908356  0.223791  0.384860  1
  Al  Al85  1  0.022564  0.347861  0.395217  1
  Al  Al86  1  0.522564  0.847861  0.395217  1
  Al  Al87  1  0.446762  0.316476  0.439001  1
  Al  Al88  1  0.946762  0.816476  0.439001  1
  Al  Al89  1  0.292989  0.605402  0.381718  1
  Al  Al90  1  0.792989  0.105402  0.381718  1
  Al  Al91  1  0.714435  0.574721  0.427113  1
  Al  Al92  1  0.214435  0.074721  0.427113  1
  Al  Al93  1  0.095377  0.583867  0.414343  1
  Al  Al94  1  0.595377  0.083867  0.414343  1
  Al  Al95  1  0.675329  0.613205  0.367961  1
  Al  Al96  1  0.175329  0.113205  0.367961  1
  Al  Al97  1  0.671369  0.261300  0.517299  1
  Al  Al98  1  0.171369  0.761300  0.517299  1
  Al  Al99  1  0.250049  0.293291  0.472086  1
  Al  Al100  1  0.750049  0.793291  0.472086  1
  Al  Al101  1  0.918543  0.376860  0.525279  1
  Al  Al102  1  0.418543  0.876860  0.525279  1
  Al  Al103  1  0.496528  0.408667  0.479732  1
  Al  Al104  1  0.996528  0.908667  0.479732  1
  Al  Al105  1  0.955837  0.150622  0.503282  1
  Al  Al106  1  0.455837  0.650622  0.503282  1
  Al  Al107  1  0.534691  0.182244  0.457719  1
  Al  Al108  1  0.034691  0.682244  0.457719  1
  Al  Al109  1  0.712188  0.402937  0.499625  1
  Al  Al110  1  0.212188  0.902937  0.499625  1
  Al  Al111  1  0.290934  0.434973  0.454328  1
  Al  Al112  1  0.790934  0.934973  0.454328  1
  Al  Al113  1  0.095374  0.401315  0.490513  1
  Al  Al114  1  0.595374  0.901315  0.490513  1
  Al  Al115  1  0.516628  0.369278  0.535809  1
  Al  Al116  1  0.016628  0.869278  0.535809  1
  Al  Al117  1  0.851725  0.653630  0.486856  1
  Al  Al118  1  0.351725  0.153630  0.486856  1
  Al  Al119  1  0.272871  0.622007  0.532419  1
  Al  Al120  1  0.772871  0.122007  0.532419  1
  Al  Al121  1  0.133000  0.174825  0.468445  1
  Al  Al122  1  0.633000  0.674825  0.468445  1
  Al  Al123  1  0.554753  0.142727  0.514047  1
  Al  Al124  1  0.054753  0.642727  0.514047  1
  Al  Al125  1  0.889019  0.427392  0.464859  1
  Al  Al126  1  0.389019  0.927392  0.464859  1
  Al  Al127  1  0.311034  0.395584  0.510406  1
  Al  Al128  1  0.811034  0.895584  0.510406  1
  Al  Al129  1  0.674562  0.629426  0.521692  1
  Al  Al130  1  0.174562  0.129426  0.521692  1
  Al  Al131  1  0.252809  0.661525  0.476090  1
  Al  Al132  1  0.752809  0.161525  0.476090  1
  Al  Al133  1  0.868090  0.284602  0.484463  1
  Al  Al134  1  0.368090  0.784602  0.484463  1
  Al  Al135  1  0.290121  0.252446  0.530123  1
  Al  Al136  1  0.790121  0.752446  0.530123  1
  Al  Al137  1  0.136193  0.542952  0.472839  1
  Al  Al138  1  0.636193  0.042952  0.472839  1
  Al  Al139  1  0.557513  0.510960  0.518052  1
  Al  Al140  1  0.057513  0.010960  0.518052  1
  Al  Al141  1  0.939473  0.519649  0.505675  1
  Al  Al142  1  0.439473  0.019649  0.505675  1
  Al  Al143  1  0.517441  0.551805  0.460015  1
  Al  Al144  1  0.017441  0.051805  0.460015  1
  Al  Al145  1  0.514573  0.198849  0.608420  1
  Al  Al146  1  0.014573  0.698849  0.608420  1
  Al  Al147  1  0.093127  0.229530  0.563024  1
  Al  Al148  1  0.593127  0.729530  0.563024  1
  Al  Al149  1  0.763161  0.313473  0.616407  1
  Al  Al150  1  0.263161  0.813473  0.616407  1
  Al  Al151  1  0.340694  0.343744  0.571012  1
  Al  Al152  1  0.840694  0.843744  0.571012  1
  Al  Al153  1  0.799418  0.085943  0.595125  1
  Al  Al154  1  0.299418  0.585943  0.595125  1
  Al  Al155  1  0.377999  0.118492  0.549079  1
  Al  Al156  1  0.877999  0.618492  0.549079  1
  Al  Al157  1  0.555901  0.338698  0.590597  1
  Al  Al158  1  0.055901  0.838698  0.590597  1
  Al  Al159  1  0.134786  0.370753  0.545312  1
  Al  Al160  1  0.634786  0.870753  0.545312  1
  Al  Al161  1  0.939967  0.337447  0.581646  1
  Al  Al162  1  0.439967  0.837447  0.581646  1
  Al  Al163  1  0.358529  0.301469  0.628686  1
  Al  Al164  1  0.858529  0.801469  0.628686  1
  Al  Al165  1  0.693853  0.591112  0.577895  1
  Al  Al166  1  0.193853  0.091112  0.577895  1
  Al  Al167  1  0.117294  0.558792  0.624700  1
  Al  Al168  1  0.617294  0.058792  0.624700  1
  Al  Al169  1  0.975906  0.111030  0.559260  1
  Al  Al170  1  0.475906  0.611030  0.559260  1
  Al  Al171  1  0.399206  0.080460  0.605278  1
  Al  Al172  1  0.899206  0.580460  0.605278  1
  Al  Al173  1  0.732676  0.362692  0.555579  1
  Al  Al174  1  0.232676  0.862692  0.555579  1
  Al  Al175  1  0.155457  0.331178  0.601499  1
  Al  Al176  1  0.655457  0.831178  0.601499  1
  Al  Al177  1  0.515396  0.565970  0.612573  1
  Al  Al178  1  0.015396  0.065970  0.612573  1
  Al  Al179  1  0.097005  0.597454  0.567672  1
  Al  Al180  1  0.597005  0.097454  0.567672  1
  Al  Al181  1  0.712185  0.220385  0.575795  1
  Al  Al182  1  0.212185  0.720385  0.575795  1
  Al  Al183  1  0.132234  0.191046  0.622176  1
  Al  Al184  1  0.632234  0.691046  0.622176  1
  Al  Al185  1  0.981341  0.479057  0.563754  1
  Al  Al186  1  0.481341  0.979057  0.563754  1
  Al  Al187  1  0.401107  0.447282  0.608402  1
  Al  Al188  1  0.901107  0.947282  0.608402  1
  Al  Al189  1  0.784998  0.456390  0.594921  1
  Al  Al190  1  0.284998  0.956390  0.594921  1
  Al  Al191  1  0.360800  0.487775  0.551137  1
  Al  Al192  1  0.860800  0.987775  0.551137  1
  Al  Al193  1  0.342008  0.135284  0.700796  1
  Al  Al194  1  0.842008  0.635284  0.700796  1
  Al  Al195  1  0.930682  0.167047  0.652200  1
  Al  Al196  1  0.430682  0.667047  0.652200  1
  Al  Al197  1  0.621882  0.274033  0.707576  1
  Al  Al198  1  0.121882  0.774033  0.707576  1
  Al  Al199  1  0.177195  0.281413  0.665674  1
  Al  Al200  1  0.677195  0.781413  0.665674  1
  Al  Al201  1  0.648635  0.048739  0.697549  1
  Al  Al202  1  0.148635  0.548739  0.697549  1
  Al  Al203  1  0.218858  0.053407  0.637324  1
  Al  Al204  1  0.718858  0.553407  0.637324  1
  Al  Al205  1  0.399449  0.283290  0.686513  1
  Al  Al206  1  0.899449  0.783290  0.686513  1
  Al  Al207  1  0.980044  0.306756  0.637331  1
  Al  Al208  1  0.480044  0.806756  0.637331  1
  Al  Al209  1  0.799908  0.287168  0.673908  1
  Al  Al210  1  0.299908  0.787168  0.673908  1
  Al  Al211  1  0.156166  0.223517  0.717605  1
  Al  Al212  1  0.656166  0.723517  0.717605  1
  Al  Al213  1  0.538875  0.525289  0.669062  1
  Al  Al214  1  0.038875  0.025289  0.669062  1
  Al  Al215  1  0.948503  0.482584  0.711776  1
  Al  Al216  1  0.448503  0.982584  0.711776  1
  Al  Al217  1  0.815134  0.045459  0.655813  1
  Al  Al218  1  0.315134  0.545459  0.655813  1
  Al  Al219  1  0.116102  0.065648  0.721325  1
  Al  Al220  1  0.616102  0.565648  0.721325  1
  Al  Al221  1  0.580288  0.298747  0.647436  1
  Al  Al222  1  0.080288  0.798747  0.647436  1
  Al  Al223  1  0.978608  0.324926  0.707148  1
  Al  Al224  1  0.478608  0.824926  0.707148  1
  Al  Al225  1  0.469102  0.438936  0.709849  1
  Al  Al226  1  0.969102  0.938936  0.709849  1
  Al  Al227  1  0.939279  0.538042  0.658817  1
  Al  Al228  1  0.439279  0.038042  0.658817  1
  Al  Al229  1  0.540843  0.162927  0.666361  1
  Al  Al230  1  0.040843  0.662927  0.666361  1
  Al  Al231  1  0.930339  0.166411  0.707607  1
  Al  Al232  1  0.430339  0.666411  0.707607  1
  Al  Al233  1  0.826627  0.419026  0.651623  1
  Al  Al234  1  0.326627  0.919026  0.651623  1
  Al  Al235  1  0.239421  0.402832  0.697126  1
  Al  Al236  1  0.739421  0.902832  0.697126  1
  Al  Al237  1  0.754753  0.404083  0.720625  1
  Al  Al238  1  0.254753  0.904083  0.720625  1
  Al  Al239  1  0.212416  0.426205  0.640495  1
  Al  Al240  1  0.712416  0.926205  0.640495  1
  Ni  Ni241  1  0.168010  0.406637  0.311523  1
  Ni  Ni242  1  0.668010  0.906637  0.311523  1
  Ni  Ni243  1  0.766095  0.394320  0.320355  1
  Ni  Ni244  1  0.266095  0.894320  0.320355  1
  Ni  Ni245  1  0.378613  0.394880  0.330250  1
  Ni  Ni246  1  0.878613  0.894880  0.330250  1
  Ni  Ni247  1  0.052402  0.289956  0.303551  1
  Ni  Ni248  1  0.552402  0.789956  0.303551  1
  Ni  Ni249  1  0.083424  0.622694  0.358017  1
  Ni  Ni250  1  0.583424  0.122694  0.358017  1
  Ni  Ni251  1  0.667428  0.660265  0.314734  1
  Ni  Ni252  1  0.167428  0.160265  0.314734  1
  Ni  Ni253  1  0.064701  0.642951  0.306979  1
  Ni  Ni254  1  0.564701  0.142951  0.306979  1
  Ni  Ni255  1  0.480462  0.633333  0.342846  1
  Ni  Ni256  1  0.980462  0.133333  0.342846  1
  Ni  Ni257  1  0.197143  0.370685  0.362075  1
  Ni  Ni258  1  0.697143  0.870685  0.362075  1
  Ni  Ni259  1  0.619507  0.339609  0.405902  1
  Ni  Ni260  1  0.119507  0.839609  0.405902  1
  Ni  Ni261  1  0.225847  0.331205  0.418069  1
  Ni  Ni262  1  0.725847  0.831205  0.418069  1
  Ni  Ni263  1  0.801602  0.362046  0.372536  1
  Ni  Ni264  1  0.301602  0.862046  0.372536  1
  Ni  Ni265  1  0.922053  0.560341  0.447419  1
  Ni  Ni266  1  0.422053  0.060341  0.447419  1
  Ni  Ni267  1  0.501446  0.592492  0.401557  1
  Ni  Ni268  1  1.001446  0.092492  0.401557  1
  Ni  Ni269  1  0.894133  0.600464  0.390655  1
  Ni  Ni270  1  0.394133  0.100464  0.390655  1
  Ni  Ni271  1  0.315409  0.568987  0.435917  1
  Ni  Ni272  1  0.815409  0.068987  0.435917  1
  Ni  Ni273  1  0.042037  0.307626  0.451708  1
  Ni  Ni274  1  0.542037  0.807626  0.451708  1
  Ni  Ni275  1  0.463657  0.275509  0.497098  1
  Ni  Ni276  1  0.963657  0.775509  0.497098  1
  Ni  Ni277  1  0.069634  0.267518  0.508701  1
  Ni  Ni278  1  0.569634  0.767518  0.508701  1
  Ni  Ni279  1  0.647977  0.299413  0.462992  1
  Ni  Ni280  1  0.147977  0.799413  0.462992  1
  Ni  Ni281  1  0.765525  0.496626  0.538430  1
  Ni  Ni282  1  0.265525  0.996626  0.538430  1
  Ni  Ni283  1  0.343905  0.528743  0.493039  1
  Ni  Ni284  1  0.843905  0.028743  0.493039  1
  Ni  Ni285  1  0.737928  0.536734  0.481437  1
  Ni  Ni286  1  0.237928  0.036734  0.481437  1
  Ni  Ni287  1  0.159585  0.504838  0.527146  1
  Ni  Ni288  1  0.659585  0.004838  0.527146  1
  Ni  Ni289  1  0.885509  0.243910  0.542719  1
  Ni  Ni290  1  0.385509  0.743910  0.542719  1
  Ni  Ni291  1  0.306116  0.211759  0.588581  1
  Ni  Ni292  1  0.806116  0.711759  0.588581  1
  Ni  Ni293  1  0.913429  0.203787  0.599483  1
  Ni  Ni294  1  0.413429  0.703787  0.599483  1
  Ni  Ni295  1  0.492153  0.235264  0.554220  1
  Ni  Ni296  1  0.992153  0.735264  0.554220  1
  Ni  Ni297  1  0.610419  0.433566  0.628063  1
  Ni  Ni298  1  0.110419  0.933566  0.628063  1
  Ni  Ni299  1  0.188055  0.464642  0.584235  1
  Ni  Ni300  1  0.688055  0.964642  0.584235  1
  Ni  Ni301  1  0.581716  0.473046  0.572068  1
  Ni  Ni302  1  0.081716  0.973046  0.572068  1
  Ni  Ni303  1  1.005960  0.442205  0.617602  1
  Ni  Ni304  1  0.505960  0.942205  0.617602  1
  Ni  Ni305  1  0.724138  0.181557  0.632120  1
  Ni  Ni306  1  0.224138  0.681557  0.632120  1
  Ni  Ni307  1  0.140134  0.143986  0.675403  1
  Ni  Ni308  1  0.640134  0.643986  0.675403  1
  Ni  Ni309  1  0.742861  0.161300  0.683158  1
  Ni  Ni310  1  0.242861  0.661300  0.683158  1
  Ni  Ni311  1  0.327100  0.170918  0.647291  1
  Ni  Ni312  1  0.827100  0.670918  0.647291  1
  Ni  Ni313  1  0.639552  0.397614  0.678614  1
  Ni  Ni314  1  0.139552  0.897614  0.678614  1
  Ni  Ni315  1  0.041468  0.409931  0.669782  1
  Ni  Ni316  1  0.541468  0.909931  0.669782  1
  Ni  Ni317  1  0.428949  0.409371  0.659888  1
  Ni  Ni318  1  0.928949  0.909371  0.659888  1
  Ni  Ni319  1  0.755160  0.514295  0.686586  1
  Ni  Ni320  1  0.255160  0.014295  0.686586  1
