# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.53356859
_cell_length_b   16.60742136
_cell_length_c   55.37615855
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.52146938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al240 Ni80'
_cell_volume   10393.1764082
_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  0.793073  0.235315  0.342880  1
  Al  Al2  1  0.176625  0.291996  0.299778  1
  Al  Al3  1  0.293073  0.735315  0.342880  1
  Al  Al4  1  0.676625  0.791996  0.299778  1
  Al  Al5  1  0.425992  0.389505  0.298276  1
  Al  Al6  1  0.063648  0.341324  0.344873  1
  Al  Al7  1  0.925992  0.889505  0.298276  1
  Al  Al8  1  0.563648  0.841324  0.344873  1
  Al  Al9  1  0.369723  0.213870  0.280280  1
  Al  Al10  1  0.008021  0.153736  0.326011  1
  Al  Al11  1  0.869723  0.713870  0.280280  1
  Al  Al12  1  0.508021  0.653736  0.326011  1
  Al  Al13  1  0.669475  0.444315  0.292260  1
  Al  Al14  1  0.295025  0.390133  0.338657  1
  Al  Al15  1  0.169475  0.944315  0.292260  1
  Al  Al16  1  0.795025  0.890133  0.338657  1
  Al  Al17  1  0.644034  0.350391  0.332855  1
  Al  Al18  1  0.012479  0.401588  0.286469  1
  Al  Al19  1  0.144034  0.850391  0.332855  1
  Al  Al20  1  0.512479  0.901588  0.286469  1
  Al  Al21  1  0.931790  0.587467  0.345497  1
  Al  Al22  1  0.303826  0.635722  0.300410  1
  Al  Al23  1  0.431790  0.087467  0.345497  1
  Al  Al24  1  0.803826  0.135722  0.300410  1
  Al  Al25  1  0.588250  0.170002  0.312923  1
  Al  Al26  1  0.979247  0.223439  0.271143  1
  Al  Al27  1  0.088250  0.670002  0.312923  1
  Al  Al28  1  0.479247  0.723439  0.271143  1
  Al  Al29  1  0.880861  0.402607  0.327410  1
  Al  Al30  1  0.254100  0.463602  0.281655  1
  Al  Al31  1  0.380861  0.902607  0.327410  1
  Al  Al32  1  0.754100  0.963602  0.281655  1
  Al  Al33  1  0.717057  0.625499  0.312759  1
  Al  Al34  1  0.345180  0.574527  0.356836  1
  Al  Al35  1  0.217057  0.125499  0.312759  1
  Al  Al36  1  0.845180  0.074527  0.356836  1
  Al  Al37  1  0.772794  0.295966  0.289419  1
  Al  Al38  1  0.402265  0.252590  0.330078  1
  Al  Al39  1  0.272794  0.795966  0.289419  1
  Al  Al40  1  0.902265  0.752590  0.330078  1
  Al  Al41  1  0.508204  0.557140  0.283824  1
  Al  Al42  1  0.139920  0.506108  0.326552  1
  Al  Al43  1  0.008204  0.057140  0.283824  1
  Al  Al44  1  0.639920  0.006108  0.326552  1
  Al  Al45  1  0.535853  0.488726  0.340617  1
  Al  Al46  1  0.898193  0.543360  0.296519  1
  Al  Al47  1  0.035853  0.988726  0.340617  1
  Al  Al48  1  0.398193  0.043360  0.296519  1
  Al  Al49  1  0.053234  0.131549  0.434936  1
  Al  Al50  1  0.425697  0.184136  0.389123  1
  Al  Al51  1  0.553234  0.631549  0.434936  1
  Al  Al52  1  0.925697  0.684136  0.389123  1
  Al  Al53  1  0.688165  0.286905  0.388963  1
  Al  Al54  1  0.320319  0.235087  0.435054  1
  Al  Al55  1  0.188165  0.786905  0.388963  1
  Al  Al56  1  0.820319  0.735087  0.435054  1
  Al  Al57  1  0.635372  0.103150  0.370496  1
  Al  Al58  1  0.266331  0.049661  0.416117  1
  Al  Al59  1  0.135372  0.603150  0.370496  1
  Al  Al60  1  0.766331  0.549661  0.416117  1
  Al  Al61  1  0.923616  0.339316  0.383760  1
  Al  Al62  1  0.554756  0.286157  0.429246  1
  Al  Al63  1  0.423616  0.839316  0.383760  1
  Al  Al64  1  0.054756  0.786157  0.429246  1
  Al  Al65  1  0.901906  0.245851  0.424056  1
  Al  Al66  1  0.274017  0.299493  0.379505  1
  Al  Al67  1  0.401906  0.745851  0.424056  1
  Al  Al68  1  0.774017  0.799493  0.379505  1
  Al  Al69  1  0.190773  0.482227  0.437319  1
  Al  Al70  1  0.560395  0.534555  0.391820  1
  Al  Al71  1  0.690773  0.982227  0.437319  1
  Al  Al72  1  0.060395  0.034555  0.391820  1
  Al  Al73  1  0.849751  0.064248  0.405638  1
  Al  Al74  1  0.221662  0.113740  0.360956  1
  Al  Al75  1  0.349751  0.564248  0.405638  1
  Al  Al76  1  0.721662  0.613740  0.360956  1
  Al  Al77  1  0.137039  0.297345  0.418938  1
  Al  Al78  1  0.507051  0.350337  0.372416  1
  Al  Al79  1  0.637039  0.797345  0.418938  1
  Al  Al80  1  0.007051  0.850337  0.372416  1
  Al  Al81  1  0.977612  0.521169  0.402351  1
  Al  Al82  1  0.606608  0.468793  0.447664  1
  Al  Al83  1  0.477612  0.021169  0.402351  1
  Al  Al84  1  0.106608  0.968793  0.447664  1
  Al  Al85  1  0.032911  0.199814  0.376159  1
  Al  Al86  1  0.663147  0.147809  0.420830  1
  Al  Al87  1  0.532911  0.699814  0.376159  1
  Al  Al88  1  0.163147  0.647809  0.420830  1
  Al  Al89  1  0.774285  0.452100  0.373181  1
  Al  Al90  1  0.403007  0.401157  0.418590  1
  Al  Al91  1  0.274285  0.952100  0.373181  1
  Al  Al92  1  0.903007  0.901157  0.418590  1
  Al  Al93  1  0.793368  0.384688  0.432430  1
  Al  Al94  1  0.164489  0.437918  0.387224  1
  Al  Al95  1  0.293368  0.884688  0.432430  1
  Al  Al96  1  0.664489  0.937918  0.387224  1
  Al  Al97  1  0.313060  0.026205  0.525913  1
  Al  Al98  1  0.683628  0.078971  0.480532  1
  Al  Al99  1  0.813060  0.526205  0.525913  1
  Al  Al100  1  0.183628  0.578971  0.480532  1
  Al  Al101  1  0.949089  0.181888  0.480676  1
  Al  Al102  1  0.578799  0.129072  0.526215  1
  Al  Al103  1  0.449089  0.681888  0.480676  1
  Al  Al104  1  0.078799  0.629072  0.526215  1
  Al  Al105  1  0.895915  0.997533  0.461945  1
  Al  Al106  1  0.525462  0.944862  0.507494  1
  Al  Al107  1  0.395915  0.497533  0.461945  1
  Al  Al108  1  0.025462  0.444862  0.507494  1
  Al  Al109  1  0.184072  0.233508  0.474872  1
  Al  Al110  1  0.813704  0.180917  0.520595  1
  Al  Al111  1  0.684072  0.733508  0.474872  1
  Al  Al112  1  0.313704  0.680917  0.520595  1
  Al  Al113  1  0.161929  0.140680  0.515407  1
  Al  Al114  1  0.532296  0.193270  0.469684  1
  Al  Al115  1  0.661929  0.640680  0.515407  1
  Al  Al116  1  0.032296  0.693270  0.469684  1
  Al  Al117  1  0.450086  0.376655  0.528335  1
  Al  Al118  1  0.820538  0.429326  0.482786  1
  Al  Al119  1  0.950086  0.876655  0.528335  1
  Al  Al120  1  0.320538  0.929326  0.482786  1
  Al  Al121  1  0.109405  0.958104  0.496727  1
  Al  Al122  1  0.479855  0.010953  0.451285  1
  Al  Al123  1  0.609405  0.458104  0.496727  1
  Al  Al124  1  0.979855  0.510953  0.451285  1
  Al  Al125  1  0.396912  0.192299  0.509604  1
  Al  Al126  1  0.767202  0.245116  0.464064  1
  Al  Al127  1  0.896912  0.692299  0.509604  1
  Al  Al128  1  0.267202  0.745116  0.464064  1
  Al  Al129  1  0.236596  0.416083  0.493552  1
  Al  Al130  1  0.866145  0.363235  0.538994  1
  Al  Al131  1  0.736596  0.916083  0.493552  1
  Al  Al132  1  0.366145  0.863235  0.538994  1
  Al  Al133  1  0.292833  0.094745  0.466478  1
  Al  Al134  1  0.922370  0.042304  0.512124  1
  Al  Al135  1  0.792833  0.594745  0.466478  1
  Al  Al136  1  0.422370  0.542304  0.512124  1
  Al  Al137  1  0.032941  0.347983  0.464366  1
  Al  Al138  1  0.662372  0.295216  0.509747  1
  Al  Al139  1  0.532941  0.847983  0.464366  1
  Al  Al140  1  0.162372  0.795216  0.509747  1
  Al  Al141  1  0.053167  0.279443  0.523801  1
  Al  Al142  1  0.423631  0.331884  0.478155  1
  Al  Al143  1  0.553167  0.779443  0.523801  1
  Al  Al144  1  0.923631  0.831884  0.478155  1
  Al  Al145  1  0.571716  0.922087  0.617099  1
  Al  Al146  1  0.942994  0.973031  0.571689  1
  Al  Al147  1  0.071716  0.422087  0.617099  1
  Al  Al148  1  0.442994  0.473031  0.571689  1
  Al  Al149  1  0.208961  0.076842  0.571341  1
  Al  Al150  1  0.838950  0.023851  0.617863  1
  Al  Al151  1  0.708961  0.576842  0.571341  1
  Al  Al152  1  0.338950  0.523851  0.617863  1
  Al  Al153  1  0.155228  0.891961  0.552961  1
  Al  Al154  1  0.785606  0.839633  0.598459  1
  Al  Al155  1  0.655228  0.391961  0.552961  1
  Al  Al156  1  0.285606  0.339633  0.598459  1
  Al  Al157  1  0.444095  0.128337  0.566224  1
  Al  Al158  1  0.071983  0.074694  0.610774  1
  Al  Al159  1  0.944095  0.628337  0.566224  1
  Al  Al160  1  0.571983  0.574694  0.610774  1
  Al  Al161  1  0.422384  0.034872  0.606520  1
  Al  Al162  1  0.791245  0.088031  0.561034  1
  Al  Al163  1  0.922384  0.534872  0.606520  1
  Al  Al164  1  0.291245  0.588031  0.561034  1
  Al  Al165  1  0.710628  0.271038  0.619784  1
  Al  Al166  1  0.079669  0.324527  0.574162  1
  Al  Al167  1  0.210628  0.771038  0.619784  1
  Al  Al168  1  0.579669  0.824527  0.574162  1
  Al  Al169  1  0.368389  0.853018  0.587929  1
  Al  Al170  1  0.739393  0.905395  0.542615  1
  Al  Al171  1  0.868389  0.353018  0.587929  1
  Al  Al172  1  0.239393  0.405395  0.542615  1
  Al  Al173  1  0.657836  0.087283  0.601316  1
  Al  Al174  1  0.025682  0.139101  0.555225  1
  Al  Al175  1  0.157836  0.587283  0.601316  1
  Al  Al176  1  0.525682  0.639101  0.555225  1
  Al  Al177  1  0.496250  0.309939  0.584641  1
  Al  Al178  1  0.124338  0.260448  0.629323  1
  Al  Al179  1  0.996250  0.809939  0.584641  1
  Al  Al180  1  0.624338  0.760448  0.629323  1
  Al  Al181  1  0.552633  0.989499  0.557849  1
  Al  Al182  1  0.181512  0.936269  0.603055  1
  Al  Al183  1  0.052633  0.489499  0.557849  1
  Al  Al184  1  0.681512  0.436269  0.603055  1
  Al  Al185  1  0.292767  0.242639  0.555343  1
  Al  Al186  1  0.920304  0.190052  0.601156  1
  Al  Al187  1  0.792767  0.742639  0.555343  1
  Al  Al188  1  0.420304  0.690052  0.601156  1
  Al  Al189  1  0.313090  0.174373  0.614121  1
  Al  Al190  1  0.682853  0.226378  0.569449  1
  Al  Al191  1  0.813090  0.674373  0.614121  1
  Al  Al192  1  0.182853  0.726378  0.569449  1
  Al  Al193  1  0.837797  0.817047  0.706455  1
  Al  Al194  1  0.206080  0.868079  0.663728  1
  Al  Al195  1  0.337797  0.317047  0.706455  1
  Al  Al196  1  0.706080  0.368079  0.663728  1
  Al  Al197  1  0.465140  0.971580  0.662869  1
  Al  Al198  1  0.091901  0.910586  0.708624  1
  Al  Al199  1  0.965140  0.471580  0.662869  1
  Al  Al200  1  0.591901  0.410586  0.708624  1
  Al  Al201  1  0.414210  0.786720  0.644782  1
  Al  Al202  1  0.042175  0.738466  0.689869  1
  Al  Al203  1  0.914210  0.286720  0.644782  1
  Al  Al204  1  0.542175  0.238466  0.689869  1
  Al  Al205  1  0.701967  0.023796  0.657425  1
  Al  Al206  1  0.333521  0.972600  0.703810  1
  Al  Al207  1  0.201967  0.523796  0.657425  1
  Al  Al208  1  0.833521  0.472600  0.703810  1
  Al  Al209  1  0.676526  0.929873  0.698020  1
  Al  Al210  1  0.050976  0.984054  0.651623  1
  Al  Al211  1  0.176526  0.429873  0.698020  1
  Al  Al212  1  0.550976  0.484054  0.651623  1
  Al  Al213  1  0.976278  0.160317  0.709999  1
  Al  Al214  1  0.337980  0.220452  0.664268  1
  Al  Al215  1  0.476278  0.660317  0.709999  1
  Al  Al216  1  0.837980  0.720452  0.664268  1
  Al  Al217  1  0.628944  0.748688  0.677520  1
  Al  Al218  1  1.000820  0.799660  0.633443  1
  Al  Al219  1  0.128944  0.248688  0.677520  1
  Al  Al220  1  0.500820  0.299660  0.633443  1
  Al  Al221  1  0.920009  0.984682  0.692003  1
  Al  Al222  1  0.282353  0.032864  0.645407  1
  Al  Al223  1  0.420009  0.484682  0.692003  1
  Al  Al224  1  0.782353  0.532864  0.645407  1
  Al  Al225  1  0.757751  0.204185  0.677357  1
  Al  Al226  1  0.366754  0.150748  0.719137  1
  Al  Al227  1  0.257751  0.704185  0.677357  1
  Al  Al228  1  0.866754  0.650748  0.719137  1
  Al  Al229  1  0.810148  0.885461  0.649663  1
  Al  Al230  1  0.447808  0.830827  0.693760  1
  Al  Al231  1  0.310148  0.385461  0.649663  1
  Al  Al232  1  0.947808  0.330827  0.693760  1
  Al  Al233  1  0.552928  0.138873  0.647400  1
  Al  Al234  1  0.169376  0.082192  0.690502  1
  Al  Al235  1  0.052928  0.638873  0.647400  1
  Al  Al236  1  0.669376  0.582192  0.690502  1
  Al  Al237  1  0.573206  0.078222  0.700860  1
  Al  Al238  1  0.943736  0.121598  0.660202  1
  Al  Al239  1  0.073206  0.578222  0.700860  1
  Al  Al240  1  0.443736  0.621598  0.660202  1
  Ni  Ni241  1  0.567931  0.222967  0.354639  1
  Ni  Ni242  1  0.949699  0.275927  0.311410  1
  Ni  Ni243  1  0.067931  0.722967  0.354639  1
  Ni  Ni244  1  0.449699  0.775927  0.311410  1
  Ni  Ni245  1  0.559338  0.295772  0.293669  1
  Ni  Ni246  1  0.189121  0.239838  0.341511  1
  Ni  Ni247  1  0.059338  0.795772  0.293669  1
  Ni  Ni248  1  0.689121  0.739838  0.341511  1
  Ni  Ni249  1  0.728859  0.578853  0.271211  1
  Ni  Ni250  1  0.367952  0.516794  0.317557  1
  Ni  Ni251  1  0.228859  0.078853  0.271211  1
  Ni  Ni252  1  0.867952  0.016794  0.317557  1
  Ni  Ni253  1  0.748620  0.499302  0.331787  1
  Ni  Ni254  1  0.108809  0.556030  0.284491  1
  Ni  Ni255  1  0.248620  0.999302  0.331787  1
  Ni  Ni256  1  0.608809  0.056030  0.284491  1
  Ni  Ni257  1  0.827472  0.118479  0.446514  1
  Ni  Ni258  1  0.198821  0.170998  0.401156  1
  Ni  Ni259  1  0.327472  0.618479  0.446514  1
  Ni  Ni260  1  0.698821  0.670998  0.401156  1
  Ni  Ni261  1  0.818921  0.189678  0.385039  1
  Ni  Ni262  1  0.449224  0.136196  0.430893  1
  Ni  Ni263  1  0.318921  0.689678  0.385039  1
  Ni  Ni264  1  0.949224  0.636196  0.430893  1
  Ni  Ni265  1  1.000153  0.467232  0.361484  1
  Ni  Ni266  1  0.628370  0.413328  0.406814  1
  Ni  Ni267  1  0.500153  0.967232  0.361484  1
  Ni  Ni268  1  0.128370  0.913328  0.406814  1
  Ni  Ni269  1  0.007272  0.395770  0.422705  1
  Ni  Ni270  1  0.378347  0.449657  0.376779  1
  Ni  Ni271  1  0.507272  0.895770  0.422705  1
  Ni  Ni272  1  0.878347  0.949657  0.376779  1
  Ni  Ni273  1  0.086686  0.012728  0.537512  1
  Ni  Ni274  1  0.457535  0.065758  0.492023  1
  Ni  Ni275  1  0.586686  0.512728  0.537512  1
  Ni  Ni276  1  0.957535  0.565758  0.492023  1
  Ni  Ni277  1  0.079347  0.083634  0.476579  1
  Ni  Ni278  1  0.708867  0.030781  0.522234  1
  Ni  Ni279  1  0.579347  0.583634  0.476579  1
  Ni  Ni280  1  0.208867  0.530781  0.522234  1
  Ni  Ni281  1  0.259315  0.361459  0.452767  1
  Ni  Ni282  1  0.888466  0.308430  0.498256  1
  Ni  Ni283  1  0.759315  0.861459  0.452767  1
  Ni  Ni284  1  0.388466  0.808430  0.498256  1
  Ni  Ni285  1  0.266654  0.290554  0.513700  1
  Ni  Ni286  1  0.637134  0.343407  0.468045  1
  Ni  Ni287  1  0.766654  0.790554  0.513700  1
  Ni  Ni288  1  0.137134  0.843407  0.468045  1
  Ni  Ni289  1  0.345848  0.906956  0.628796  1
  Ni  Ni290  1  0.717631  0.960859  0.583466  1
  Ni  Ni291  1  0.845848  0.406956  0.628796  1
  Ni  Ni292  1  0.217631  0.460859  0.583466  1
  Ni  Ni293  1  0.338729  0.978418  0.567574  1
  Ni  Ni294  1  0.967654  0.924531  0.613500  1
  Ni  Ni295  1  0.838729  0.478418  0.567574  1
  Ni  Ni296  1  0.467654  0.424531  0.613500  1
  Ni  Ni297  1  0.518529  0.255709  0.543766  1
  Ni  Ni298  1  0.147179  0.203189  0.589123  1
  Ni  Ni299  1  0.018529  0.755709  0.543766  1
  Ni  Ni300  1  0.647179  0.703189  0.589123  1
  Ni  Ni301  1  0.527080  0.184509  0.605240  1
  Ni  Ni302  1  0.896776  0.237992  0.559387  1
  Ni  Ni303  1  0.027080  0.684509  0.605240  1
  Ni  Ni304  1  0.396776  0.737992  0.559387  1
  Ni  Ni305  1  0.617142  0.795335  0.719068  1
  Ni  Ni306  1  0.978049  0.857393  0.672722  1
  Ni  Ni307  1  0.117142  0.295335  0.719068  1
  Ni  Ni308  1  0.478049  0.357393  0.672722  1
  Ni  Ni309  1  0.597381  0.874886  0.658492  1
  Ni  Ni310  1  0.237191  0.818157  0.705788  1
  Ni  Ni311  1  0.097381  0.374886  0.658492  1
  Ni  Ni312  1  0.737191  0.318157  0.705788  1
  Ni  Ni313  1  0.778070  0.151221  0.635640  1
  Ni  Ni314  1  0.396302  0.098260  0.678869  1
  Ni  Ni315  1  0.278070  0.651221  0.635640  1
  Ni  Ni316  1  0.896302  0.598260  0.678869  1
  Ni  Ni317  1  0.786663  0.078415  0.696610  1
  Ni  Ni318  1  0.156879  0.134349  0.648768  1
  Ni  Ni319  1  0.286663  0.578415  0.696610  1
  Ni  Ni320  1  0.656879  0.634349  0.648768  1
