# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.70392226
_cell_length_b   16.64149878
_cell_length_c   48.21310008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.35534339
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al198 Ni132'
_cell_volume   10016.6687775
_cell_formula_units_Z   66
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  0.304521  0.605108  0.305099  1
  Al  Al2  1  0.804521  0.605108  0.305099  1
  Al  Al3  1  0.692605  0.909036  0.289047  1
  Al  Al4  1  0.173259  0.313489  0.282260  1
  Al  Al5  1  0.192605  0.909036  0.289047  1
  Al  Al6  1  0.673259  0.313489  0.282260  1
  Al  Al7  1  0.602787  0.464371  0.291380  1
  Al  Al8  1  0.102787  0.464371  0.291380  1
  Al  Al9  1  0.950878  0.786525  0.291454  1
  Al  Al10  1  0.136243  0.118253  0.307991  1
  Al  Al11  1  0.450878  0.786525  0.291454  1
  Al  Al12  1  0.636243  0.118253  0.307991  1
  Al  Al13  1  0.519764  0.679639  0.322348  1
  Al  Al14  1  0.019764  0.679639  0.322348  1
  Al  Al15  1  0.912721  0.035196  0.299123  1
  Al  Al16  1  0.387482  0.371807  0.301955  1
  Al  Al17  1  0.412721  0.035196  0.299123  1
  Al  Al18  1  0.887482  0.371807  0.301955  1
  Al  Al19  1  1.002353  0.514226  0.343537  1
  Al  Al20  1  0.502353  0.514226  0.343537  1
  Al  Al21  1  0.442215  0.899522  0.334337  1
  Al  Al22  1  0.849258  0.201838  0.315138  1
  Al  Al23  1  0.942215  0.899522  0.334337  1
  Al  Al24  1  0.349258  0.201838  0.315138  1
  Al  Al25  1  0.282921  0.429377  0.335616  1
  Al  Al26  1  0.782921  0.429377  0.335616  1
  Al  Al27  1  0.733355  0.772453  0.320247  1
  Al  Al28  1  0.876237  0.082268  0.350109  1
  Al  Al29  1  0.233355  0.772453  0.320247  1
  Al  Al30  1  0.376237  0.082268  0.350109  1
  Al  Al31  1  0.226246  0.646807  0.355661  1
  Al  Al32  1  0.726246  0.646807  0.355661  1
  Al  Al33  1  0.659603  0.993399  0.341031  1
  Al  Al34  1  0.068213  0.337791  0.329887  1
  Al  Al35  1  0.159603  0.993399  0.341031  1
  Al  Al36  1  0.568213  0.337791  0.329887  1
  Al  Al37  1  0.745769  0.505197  0.385986  1
  Al  Al38  1  0.245769  0.505197  0.385986  1
  Al  Al39  1  0.165310  0.840859  0.371401  1
  Al  Al40  1  0.592659  0.193889  0.359995  1
  Al  Al41  1  0.665310  0.840859  0.371401  1
  Al  Al42  1  0.092659  0.193889  0.359995  1
  Al  Al43  1  0.028069  0.393645  0.377799  1
  Al  Al44  1  0.528069  0.393645  0.377799  1
  Al  Al45  1  0.441759  0.740890  0.362340  1
  Al  Al46  1  0.603441  0.049855  0.389473  1
  Al  Al47  1  0.941759  0.740890  0.362340  1
  Al  Al48  1  0.103441  0.049855  0.389473  1
  Al  Al49  1  0.968346  0.613694  0.393607  1
  Al  Al50  1  0.468346  0.613694  0.393607  1
  Al  Al51  1  0.386646  0.956395  0.382217  1
  Al  Al52  1  0.817756  0.303598  0.367904  1
  Al  Al53  1  0.886646  0.956395  0.382217  1
  Al  Al54  1  0.317756  0.303598  0.367904  1
  Al  Al55  1  0.479907  0.470416  0.425910  1
  Al  Al56  1  0.979907  0.470416  0.425910  1
  Al  Al57  1  0.901214  0.814945  0.412421  1
  Al  Al58  1  0.324312  0.157139  0.399143  1
  Al  Al59  1  0.401214  0.814945  0.412421  1
  Al  Al60  1  0.824312  0.157139  0.399143  1
  Al  Al61  1  0.758776  0.360387  0.416544  1
  Al  Al62  1  0.258776  0.360387  0.416544  1
  Al  Al63  1  0.180714  0.704901  0.403632  1
  Al  Al64  1  0.336314  0.015594  0.430110  1
  Al  Al65  1  0.680714  0.704901  0.403632  1
  Al  Al66  1  0.836314  0.015594  0.430110  1
  Al  Al67  1  0.699322  0.578058  0.434917  1
  Al  Al68  1  0.199322  0.578058  0.434917  1
  Al  Al69  1  0.122539  0.922888  0.421679  1
  Al  Al70  1  0.544647  0.266558  0.408617  1
  Al  Al71  1  0.622539  0.922888  0.421679  1
  Al  Al72  1  0.044647  0.266558  0.408617  1
  Al  Al73  1  0.213338  0.436485  0.465975  1
  Al  Al74  1  0.713338  0.436485  0.465975  1
  Al  Al75  1  0.634093  0.779919  0.452376  1
  Al  Al76  1  0.057834  0.125228  0.439353  1
  Al  Al77  1  0.134093  0.779919  0.452376  1
  Al  Al78  1  0.557834  0.125228  0.439353  1
  Al  Al79  1  0.492085  0.326533  0.456580  1
  Al  Al80  1  0.992085  0.326533  0.456580  1
  Al  Al81  1  0.913999  0.671125  0.442857  1
  Al  Al82  1  0.069094  0.981789  0.469850  1
  Al  Al83  1  0.413999  0.671125  0.442857  1
  Al  Al84  1  0.569094  0.981789  0.469850  1
  Al  Al85  1  0.432728  0.544227  0.475104  1
  Al  Al86  1  0.932728  0.544227  0.475104  1
  Al  Al87  1  0.854539  0.888616  0.461724  1
  Al  Al88  1  0.278078  0.233352  0.448649  1
  Al  Al89  1  0.354539  0.888616  0.461724  1
  Al  Al90  1  0.778078  0.233352  0.448649  1
  Al  Al91  1  0.945097  0.401148  0.505815  1
  Al  Al92  1  0.445097  0.401148  0.505815  1
  Al  Al93  1  0.367292  0.746125  0.492510  1
  Al  Al94  1  0.789693  0.090411  0.479241  1
  Al  Al95  1  0.867292  0.746125  0.492510  1
  Al  Al96  1  0.289693  0.090411  0.479241  1
  Al  Al97  1  0.224759  0.292639  0.496562  1
  Al  Al98  1  0.724759  0.292639  0.496562  1
  Al  Al99  1  0.646849  0.637158  0.483103  1
  Al  Al100  1  0.801850  0.947753  0.509819  1
  Al  Al101  1  0.146849  0.637158  0.483103  1
  Al  Al102  1  0.301850  0.947753  0.509819  1
  Al  Al103  1  0.165628  0.510228  0.515218  1
  Al  Al104  1  0.665628  0.510228  0.515218  1
  Al  Al105  1  0.587495  0.854610  0.501818  1
  Al  Al106  1  0.010293  0.199359  0.488647  1
  Al  Al107  1  0.087495  0.854610  0.501818  1
  Al  Al108  1  0.510293  0.199359  0.488647  1
  Al  Al109  1  0.678246  0.367355  0.545867  1
  Al  Al110  1  0.178246  0.367355  0.545867  1
  Al  Al111  1  0.099252  0.711245  0.532387  1
  Al  Al112  1  0.522682  0.056840  0.519341  1
  Al  Al113  1  0.599252  0.711245  0.532387  1
  Al  Al114  1  0.022682  0.056840  0.519341  1
  Al  Al115  1  0.957764  0.258542  0.536632  1
  Al  Al116  1  0.457764  0.258542  0.536632  1
  Al  Al117  1  0.379744  0.603255  0.523224  1
  Al  Al118  1  0.534345  0.913729  0.549903  1
  Al  Al119  1  0.879744  0.603255  0.523224  1
  Al  Al120  1  0.034345  0.913729  0.549903  1
  Al  Al121  1  0.898573  0.476395  0.555389  1
  Al  Al122  1  0.398573  0.476395  0.555389  1
  Al  Al123  1  0.320398  0.820739  0.541741  1
  Al  Al124  1  0.743095  0.165275  0.528689  1
  Al  Al125  1  0.820398  0.820739  0.541741  1
  Al  Al126  1  0.243095  0.165275  0.528689  1
  Al  Al127  1  0.411207  0.332499  0.585782  1
  Al  Al128  1  0.911207  0.332499  0.585782  1
  Al  Al129  1  0.832688  0.677374  0.572466  1
  Al  Al130  1  0.254101  0.021576  0.559279  1
  Al  Al131  1  0.332688  0.677374  0.572466  1
  Al  Al132  1  0.754101  0.021576  0.559279  1
  Al  Al133  1  0.689641  0.224190  0.576698  1
  Al  Al134  1  0.189641  0.224190  0.576698  1
  Al  Al135  1  0.112975  0.569457  0.563372  1
  Al  Al136  1  0.267692  0.880379  0.589702  1
  Al  Al137  1  0.612975  0.569457  0.563372  1
  Al  Al138  1  0.767692  0.880379  0.589702  1
  Al  Al139  1  0.631572  0.442452  0.594550  1
  Al  Al140  1  0.131572  0.442452  0.594550  1
  Al  Al141  1  0.052899  0.787199  0.582310  1
  Al  Al142  1  0.475716  0.131134  0.568400  1
  Al  Al143  1  0.552899  0.787199  0.582310  1
  Al  Al144  1  0.975716  0.131134  0.568400  1
  Al  Al145  1  0.147492  0.307924  0.626810  1
  Al  Al146  1  0.647492  0.307924  0.626810  1
  Al  Al147  1  0.566687  0.642899  0.612327  1
  Al  Al148  1  0.987374  0.988714  0.599348  1
  Al  Al149  1  0.066687  0.642899  0.612327  1
  Al  Al150  1  0.487374  0.988714  0.599348  1
  Al  Al151  1  0.425791  0.190862  0.615792  1
  Al  Al152  1  0.925791  0.190862  0.615792  1
  Al  Al153  1  0.843766  0.533995  0.604483  1
  Al  Al154  1  0.995689  0.842792  0.633233  1
  Al  Al155  1  0.343766  0.533995  0.604483  1
  Al  Al156  1  0.495689  0.842792  0.633233  1
  Al  Al157  1  0.370447  0.406400  0.635863  1
  Al  Al158  1  0.870447  0.406400  0.635863  1
  Al  Al159  1  0.786071  0.754530  0.620422  1
  Al  Al160  1  0.209343  0.096789  0.609315  1
  Al  Al161  1  0.286071  0.754530  0.620422  1
  Al  Al162  1  0.709343  0.096789  0.609315  1
  Al  Al163  1  0.867375  0.243480  0.663794  1
  Al  Al164  1  0.367375  0.243480  0.663794  1
  Al  Al165  1  0.308947  0.632446  0.654596  1
  Al  Al166  1  0.715819  0.945771  0.638207  1
  Al  Al167  1  0.808947  0.632446  0.654596  1
  Al  Al168  1  0.215819  0.945771  0.638207  1
  Al  Al169  1  0.150551  0.155448  0.656816  1
  Al  Al170  1  0.650551  0.155448  0.656816  1
  Al  Al171  1  0.584845  0.500443  0.642160  1
  Al  Al172  1  0.743612  0.809008  0.668366  1
  Al  Al173  1  0.084845  0.500443  0.642160  1
  Al  Al174  1  0.243612  0.809008  0.668366  1
  Al  Al175  1  0.077472  0.375068  0.677608  1
  Al  Al176  1  0.577472  0.375068  0.677608  1
  Al  Al177  1  0.528267  0.716760  0.663093  1
  Al  Al178  1  0.936462  0.065725  0.647943  1
  Al  Al179  1  0.028267  0.716760  0.663093  1
  Al  Al180  1  0.436462  0.065725  0.647943  1
  Al  Al181  1  0.622636  0.243834  0.709345  1
  Al  Al182  1  0.122636  0.243834  0.709345  1
  Al  Al183  1  0.006808  0.542443  0.692894  1
  Al  Al184  1  0.469106  0.947834  0.684464  1
  Al  Al185  1  0.506808  0.542443  0.692894  1
  Al  Al186  1  0.969106  0.947834  0.684464  1
  Al  Al187  1  0.907136  0.113754  0.699723  1
  Al  Al188  1  0.407136  0.113754  0.699723  1
  Al  Al189  1  0.292151  0.467483  0.675889  1
  Al  Al190  1  0.423408  0.777604  0.696425  1
  Al  Al191  1  0.792151  0.467483  0.675889  1
  Al  Al192  1  0.923408  0.777604  0.696425  1
  Al  Al193  1  0.863406  0.362153  0.706288  1
  Al  Al194  1  0.363406  0.362153  0.706288  1
  Al  Al195  1  0.211626  0.679493  0.706256  1
  Al  Al196  1  0.688723  0.037386  0.686634  1
  Al  Al197  1  0.711626  0.679493  0.706256  1
  Al  Al198  1  0.188723  0.037386  0.686634  1
  Ni  Ni199  1  0.633759  0.611938  0.309469  1
  Ni  Ni200  1  0.133759  0.611938  0.309469  1
  Ni  Ni201  1  0.052240  0.960767  0.295606  1
  Ni  Ni202  1  0.488439  0.296988  0.282372  1
  Ni  Ni203  1  0.552240  0.960767  0.295606  1
  Ni  Ni204  1  0.988439  0.296988  0.282372  1
  Ni  Ni205  1  0.428635  0.529772  0.300399  1
  Ni  Ni206  1  0.928635  0.529772  0.300399  1
  Ni  Ni207  1  0.852424  0.878816  0.288276  1
  Ni  Ni208  1  0.015873  0.187585  0.314862  1
  Ni  Ni209  1  0.352424  0.878816  0.288276  1
  Ni  Ni210  1  0.515873  0.187585  0.314862  1
  Ni  Ni211  1  0.369475  0.582398  0.350092  1
  Ni  Ni212  1  0.869475  0.582398  0.350092  1
  Ni  Ni213  1  0.787574  0.928158  0.335225  1
  Ni  Ni214  1  0.218641  0.271819  0.325583  1
  Ni  Ni215  1  0.287574  0.928158  0.335225  1
  Ni  Ni216  1  0.718641  0.271819  0.325583  1
  Ni  Ni217  1  0.163194  0.496271  0.340985  1
  Ni  Ni218  1  0.663194  0.496271  0.340985  1
  Ni  Ni219  1  0.580934  0.838403  0.328865  1
  Ni  Ni220  1  0.736021  0.145973  0.355272  1
  Ni  Ni221  1  0.080934  0.838403  0.328865  1
  Ni  Ni222  1  0.236021  0.145973  0.355272  1
  Ni  Ni223  1  0.099644  0.549516  0.389082  1
  Ni  Ni224  1  0.599644  0.549516  0.389082  1
  Ni  Ni225  1  0.527801  0.895622  0.376833  1
  Ni  Ni226  1  0.945325  0.236956  0.362552  1
  Ni  Ni227  1  0.027801  0.895622  0.376833  1
  Ni  Ni228  1  0.445325  0.236956  0.362552  1
  Ni  Ni229  1  0.887620  0.456367  0.382222  1
  Ni  Ni230  1  0.387620  0.456367  0.382222  1
  Ni  Ni231  1  0.312643  0.802890  0.368128  1
  Ni  Ni232  1  0.468244  0.111189  0.395546  1
  Ni  Ni233  1  0.812643  0.802890  0.368128  1
  Ni  Ni234  1  0.968244  0.111189  0.395546  1
  Ni  Ni235  1  0.836585  0.516999  0.429595  1
  Ni  Ni236  1  0.336585  0.516999  0.429595  1
  Ni  Ni237  1  0.256670  0.860723  0.416191  1
  Ni  Ni238  1  0.682875  0.206031  0.403326  1
  Ni  Ni239  1  0.756670  0.860723  0.416191  1
  Ni  Ni240  1  0.182875  0.206031  0.403326  1
  Ni  Ni241  1  0.623269  0.422290  0.422173  1
  Ni  Ni242  1  0.123269  0.422290  0.422173  1
  Ni  Ni243  1  0.043478  0.767035  0.408317  1
  Ni  Ni244  1  0.200241  0.077553  0.435185  1
  Ni  Ni245  1  0.543478  0.767035  0.408317  1
  Ni  Ni246  1  0.700241  0.077553  0.435185  1
  Ni  Ni247  1  0.569026  0.482347  0.469875  1
  Ni  Ni248  1  0.069026  0.482347  0.469875  1
  Ni  Ni249  1  0.990795  0.826948  0.456418  1
  Ni  Ni250  1  0.413757  0.171451  0.443294  1
  Ni  Ni251  1  0.490795  0.826948  0.456418  1
  Ni  Ni252  1  0.913757  0.171451  0.443294  1
  Ni  Ni253  1  0.355840  0.388418  0.461797  1
  Ni  Ni254  1  0.855840  0.388418  0.461797  1
  Ni  Ni255  1  0.777905  0.732961  0.448483  1
  Ni  Ni256  1  0.933342  0.043602  0.475270  1
  Ni  Ni257  1  0.277905  0.732961  0.448483  1
  Ni  Ni258  1  0.433342  0.043602  0.475270  1
  Ni  Ni259  1  0.302128  0.448467  0.509958  1
  Ni  Ni260  1  0.802128  0.448467  0.509958  1
  Ni  Ni261  1  0.723539  0.792850  0.496440  1
  Ni  Ni262  1  0.146590  0.137614  0.483356  1
  Ni  Ni263  1  0.223539  0.792850  0.496440  1
  Ni  Ni264  1  0.646590  0.137614  0.483356  1
  Ni  Ni265  1  0.088807  0.354450  0.501850  1
  Ni  Ni266  1  0.588807  0.354450  0.501850  1
  Ni  Ni267  1  0.510361  0.698934  0.488353  1
  Ni  Ni268  1  0.665644  0.009485  0.515213  1
  Ni  Ni269  1  0.010361  0.698934  0.488353  1
  Ni  Ni270  1  0.165644  0.009485  0.515213  1
  Ni  Ni271  1  0.034522  0.414415  0.549771  1
  Ni  Ni272  1  0.534522  0.414415  0.549771  1
  Ni  Ni273  1  0.456714  0.758976  0.536606  1
  Ni  Ni274  1  0.878779  0.103392  0.523300  1
  Ni  Ni275  1  0.956714  0.758976  0.536606  1
  Ni  Ni276  1  0.378779  0.103392  0.523300  1
  Ni  Ni277  1  0.821509  0.320322  0.541883  1
  Ni  Ni278  1  0.321509  0.320322  0.541883  1
  Ni  Ni279  1  0.243372  0.665025  0.528465  1
  Ni  Ni280  1  0.398412  0.975607  0.555164  1
  Ni  Ni281  1  0.743372  0.665025  0.528465  1
  Ni  Ni282  1  0.898412  0.975607  0.555164  1
  Ni  Ni283  1  0.769002  0.380457  0.589837  1
  Ni  Ni284  1  0.269002  0.380457  0.589837  1
  Ni  Ni285  1  0.188972  0.725204  0.576178  1
  Ni  Ni286  1  0.611980  0.069432  0.563490  1
  Ni  Ni287  1  0.688972  0.725204  0.576178  1
  Ni  Ni288  1  0.111980  0.069432  0.563490  1
  Ni  Ni289  1  0.555763  0.286551  0.582034  1
  Ni  Ni290  1  0.055763  0.286551  0.582034  1
  Ni  Ni291  1  0.975923  0.630738  0.568727  1
  Ni  Ni292  1  0.128416  0.940471  0.595451  1
  Ni  Ni293  1  0.475923  0.630738  0.568727  1
  Ni  Ni294  1  0.628416  0.940471  0.595451  1
  Ni  Ni295  1  0.498479  0.343719  0.630113  1
  Ni  Ni296  1  0.998479  0.343719  0.630113  1
  Ni  Ni297  1  0.925069  0.691635  0.616330  1
  Ni  Ni298  1  0.343144  0.034931  0.603144  1
  Ni  Ni299  1  0.425069  0.691635  0.616330  1
  Ni  Ni300  1  0.843144  0.034931  0.603144  1
  Ni  Ni301  1  0.284414  0.251900  0.621305  1
  Ni  Ni302  1  0.784414  0.251900  0.621305  1
  Ni  Ni303  1  0.712552  0.598209  0.609122  1
  Ni  Ni304  1  0.869384  0.910403  0.636196  1
  Ni  Ni305  1  0.212552  0.598209  0.609122  1
  Ni  Ni306  1  0.369384  0.910403  0.636196  1
  Ni  Ni307  1  0.232425  0.309468  0.669138  1
  Ni  Ni308  1  0.732425  0.309468  0.669138  1
  Ni  Ni309  1  0.648750  0.650928  0.657022  1
  Ni  Ni310  1  0.077131  1.000794  0.643101  1
  Ni  Ni311  1  0.148750  0.650928  0.657022  1
  Ni  Ni312  1  0.577131  1.000794  0.643101  1
  Ni  Ni313  1  0.025193  0.220512  0.662962  1
  Ni  Ni314  1  0.525193  0.220512  0.662962  1
  Ni  Ni315  1  0.441957  0.564643  0.647927  1
  Ni  Ni316  1  0.601096  0.875031  0.677072  1
  Ni  Ni317  1  0.941957  0.564643  0.647927  1
  Ni  Ni318  1  0.101096  0.875031  0.677072  1
  Ni  Ni319  1  0.960004  0.269307  0.709833  1
  Ni  Ni320  1  0.460004  0.269307  0.709833  1
  Ni  Ni321  1  0.381408  0.618035  0.697892  1
  Ni  Ni322  1  0.804877  0.963842  0.681948  1
  Ni  Ni323  1  0.881408  0.618035  0.697892  1
  Ni  Ni324  1  0.304877  0.963842  0.681948  1
  Ni  Ni325  1  0.760290  0.189219  0.703198  1
  Ni  Ni326  1  0.260290  0.189219  0.703198  1
  Ni  Ni327  1  0.176626  0.533303  0.688228  1
  Ni  Ni328  1  0.310096  0.849122  0.715048  1
  Ni  Ni329  1  0.676626  0.533303  0.688228  1
  Ni  Ni330  1  0.810096  0.849122  0.715048  1
