# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.70695846
_cell_length_b   16.63660959
_cell_length_c   48.19212472
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.35534359
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al198 Ni132'
_cell_volume   10011.5870362
_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  0.304456  0.605190  0.305234  1
  Al  Al2  1  0.804456  0.605190  0.305234  1
  Al  Al3  1  0.692554  0.909105  0.289172  1
  Al  Al4  1  0.173127  0.313479  0.282382  1
  Al  Al5  1  0.192554  0.909105  0.289172  1
  Al  Al6  1  0.673127  0.313479  0.282382  1
  Al  Al7  1  0.602702  0.464436  0.291503  1
  Al  Al8  1  0.102702  0.464436  0.291503  1
  Al  Al9  1  0.950834  0.786598  0.291582  1
  Al  Al10  1  0.136172  0.118320  0.308124  1
  Al  Al11  1  0.450834  0.786598  0.291582  1
  Al  Al12  1  0.636172  0.118320  0.308124  1
  Al  Al13  1  0.519727  0.679722  0.322495  1
  Al  Al14  1  0.019727  0.679722  0.322495  1
  Al  Al15  1  0.912645  0.035289  0.299244  1
  Al  Al16  1  0.387377  0.371857  0.302066  1
  Al  Al17  1  0.412645  0.035289  0.299244  1
  Al  Al18  1  0.887377  0.371857  0.302066  1
  Al  Al19  1  1.002295  0.514280  0.343681  1
  Al  Al20  1  0.502295  0.514280  0.343681  1
  Al  Al21  1  0.442185  0.899666  0.334483  1
  Al  Al22  1  0.849186  0.201862  0.315272  1
  Al  Al23  1  0.942185  0.899666  0.334483  1
  Al  Al24  1  0.349186  0.201862  0.315272  1
  Al  Al25  1  0.282874  0.429457  0.335755  1
  Al  Al26  1  0.782874  0.429457  0.335755  1
  Al  Al27  1  0.733313  0.772529  0.320383  1
  Al  Al28  1  0.876194  0.082338  0.350265  1
  Al  Al29  1  0.233313  0.772529  0.320383  1
  Al  Al30  1  0.376194  0.082338  0.350265  1
  Al  Al31  1  0.226196  0.646895  0.355818  1
  Al  Al32  1  0.726196  0.646895  0.355818  1
  Al  Al33  1  0.659567  0.993485  0.341179  1
  Al  Al34  1  0.068158  0.337871  0.330031  1
  Al  Al35  1  0.159567  0.993485  0.341179  1
  Al  Al36  1  0.568158  0.337871  0.330031  1
  Al  Al37  1  0.745721  0.505289  0.386152  1
  Al  Al38  1  0.245721  0.505289  0.386152  1
  Al  Al39  1  0.165232  0.840899  0.371558  1
  Al  Al40  1  0.592634  0.194005  0.360158  1
  Al  Al41  1  0.665232  0.840899  0.371558  1
  Al  Al42  1  0.092634  0.194005  0.360158  1
  Al  Al43  1  0.028005  0.393726  0.377967  1
  Al  Al44  1  0.528005  0.393726  0.377967  1
  Al  Al45  1  0.441686  0.740982  0.362493  1
  Al  Al46  1  0.603388  0.049957  0.389642  1
  Al  Al47  1  0.941686  0.740982  0.362493  1
  Al  Al48  1  0.103388  0.049957  0.389642  1
  Al  Al49  1  0.968315  0.613802  0.393772  1
  Al  Al50  1  0.468315  0.613802  0.393772  1
  Al  Al51  1  0.386605  0.956485  0.382389  1
  Al  Al52  1  0.817724  0.303693  0.368061  1
  Al  Al53  1  0.886605  0.956485  0.382389  1
  Al  Al54  1  0.317724  0.303693  0.368061  1
  Al  Al55  1  0.479871  0.470541  0.426096  1
  Al  Al56  1  0.979871  0.470541  0.426096  1
  Al  Al57  1  0.901165  0.815051  0.412599  1
  Al  Al58  1  0.324272  0.157238  0.399319  1
  Al  Al59  1  0.401165  0.815051  0.412599  1
  Al  Al60  1  0.824272  0.157238  0.399319  1
  Al  Al61  1  0.758731  0.360501  0.416724  1
  Al  Al62  1  0.258731  0.360501  0.416724  1
  Al  Al63  1  0.180655  0.704998  0.403809  1
  Al  Al64  1  0.336258  0.015708  0.430299  1
  Al  Al65  1  0.680655  0.704998  0.403809  1
  Al  Al66  1  0.836258  0.015708  0.430299  1
  Al  Al67  1  0.699295  0.578175  0.435106  1
  Al  Al68  1  0.199295  0.578175  0.435106  1
  Al  Al69  1  0.122504  0.923001  0.421861  1
  Al  Al70  1  0.544623  0.266662  0.408799  1
  Al  Al71  1  0.622504  0.923001  0.421861  1
  Al  Al72  1  0.044623  0.266662  0.408799  1
  Al  Al73  1  0.213302  0.436620  0.466178  1
  Al  Al74  1  0.713302  0.436620  0.466178  1
  Al  Al75  1  0.634052  0.780048  0.452573  1
  Al  Al76  1  0.057797  0.125348  0.439546  1
  Al  Al77  1  0.134052  0.780048  0.452573  1
  Al  Al78  1  0.557797  0.125348  0.439546  1
  Al  Al79  1  0.492035  0.326662  0.456779  1
  Al  Al80  1  0.992035  0.326662  0.456779  1
  Al  Al81  1  0.913948  0.671246  0.443050  1
  Al  Al82  1  0.069045  0.981923  0.470055  1
  Al  Al83  1  0.413948  0.671246  0.443050  1
  Al  Al84  1  0.569045  0.981923  0.470055  1
  Al  Al85  1  0.432700  0.544364  0.475310  1
  Al  Al86  1  0.932700  0.544364  0.475310  1
  Al  Al87  1  0.854509  0.888745  0.461924  1
  Al  Al88  1  0.278052  0.233477  0.448846  1
  Al  Al89  1  0.354509  0.888745  0.461924  1
  Al  Al90  1  0.778052  0.233477  0.448846  1
  Al  Al91  1  0.945061  0.401296  0.506036  1
  Al  Al92  1  0.445061  0.401296  0.506036  1
  Al  Al93  1  0.367255  0.746271  0.492724  1
  Al  Al94  1  0.789656  0.090550  0.479450  1
  Al  Al95  1  0.867255  0.746271  0.492724  1
  Al  Al96  1  0.289656  0.090550  0.479450  1
  Al  Al97  1  0.224716  0.292786  0.496779  1
  Al  Al98  1  0.724716  0.292786  0.496779  1
  Al  Al99  1  0.646800  0.637298  0.483313  1
  Al  Al100  1  0.801803  0.947905  0.510041  1
  Al  Al101  1  0.146800  0.637298  0.483313  1
  Al  Al102  1  0.301803  0.947905  0.510041  1
  Al  Al103  1  0.165604  0.510382  0.515442  1
  Al  Al104  1  0.665604  0.510382  0.515442  1
  Al  Al105  1  0.587469  0.854758  0.502036  1
  Al  Al106  1  0.010269  0.199502  0.488860  1
  Al  Al107  1  0.087469  0.854758  0.502036  1
  Al  Al108  1  0.510269  0.199502  0.488860  1
  Al  Al109  1  0.678214  0.367521  0.546105  1
  Al  Al110  1  0.178214  0.367521  0.546105  1
  Al  Al111  1  0.099217  0.711407  0.532619  1
  Al  Al112  1  0.522650  0.056999  0.519567  1
  Al  Al113  1  0.599217  0.711407  0.532619  1
  Al  Al114  1  0.022650  0.056999  0.519567  1
  Al  Al115  1  0.957722  0.258707  0.536867  1
  Al  Al116  1  0.457722  0.258707  0.536867  1
  Al  Al117  1  0.379699  0.603414  0.523452  1
  Al  Al118  1  0.534301  0.913900  0.550141  1
  Al  Al119  1  0.879699  0.603414  0.523452  1
  Al  Al120  1  0.034301  0.913900  0.550141  1
  Al  Al121  1  0.898549  0.476568  0.555631  1
  Al  Al122  1  0.398549  0.476568  0.555631  1
  Al  Al123  1  0.320375  0.820905  0.541977  1
  Al  Al124  1  0.743071  0.165437  0.528921  1
  Al  Al125  1  0.820375  0.820905  0.541977  1
  Al  Al126  1  0.243071  0.165437  0.528921  1
  Al  Al127  1  0.411183  0.332692  0.586039  1
  Al  Al128  1  0.911183  0.332692  0.586039  1
  Al  Al129  1  0.832655  0.677551  0.572715  1
  Al  Al130  1  0.254072  0.021757  0.559522  1
  Al  Al131  1  0.332655  0.677551  0.572715  1
  Al  Al132  1  0.754072  0.021757  0.559522  1
  Al  Al133  1  0.689605  0.224372  0.576952  1
  Al  Al134  1  0.189605  0.224372  0.576952  1
  Al  Al135  1  0.112927  0.569635  0.563616  1
  Al  Al136  1  0.267648  0.880568  0.589955  1
  Al  Al137  1  0.612927  0.569635  0.563616  1
  Al  Al138  1  0.767648  0.880568  0.589955  1
  Al  Al139  1  0.631555  0.442649  0.594807  1
  Al  Al140  1  0.131555  0.442649  0.594807  1
  Al  Al141  1  0.052877  0.787381  0.582564  1
  Al  Al142  1  0.475703  0.131315  0.568648  1
  Al  Al143  1  0.552877  0.787381  0.582564  1
  Al  Al144  1  0.975703  0.131315  0.568648  1
  Al  Al145  1  0.147492  0.308182  0.627089  1
  Al  Al146  1  0.647492  0.308182  0.627089  1
  Al  Al147  1  0.566653  0.643095  0.612595  1
  Al  Al148  1  0.987338  0.988896  0.599609  1
  Al  Al149  1  0.066653  0.643095  0.612595  1
  Al  Al150  1  0.487338  0.988896  0.599609  1
  Al  Al151  1  0.425755  0.191068  0.616055  1
  Al  Al152  1  0.925755  0.191068  0.616055  1
  Al  Al153  1  0.843722  0.534183  0.604751  1
  Al  Al154  1  0.995651  0.842995  0.633508  1
  Al  Al155  1  0.343722  0.534183  0.604751  1
  Al  Al156  1  0.495651  0.842995  0.633508  1
  Al  Al157  1  0.370443  0.406605  0.636146  1
  Al  Al158  1  0.870443  0.406605  0.636146  1
  Al  Al159  1  0.786051  0.754743  0.620693  1
  Al  Al160  1  0.209325  0.096981  0.609584  1
  Al  Al161  1  0.286051  0.754743  0.620693  1
  Al  Al162  1  0.709325  0.096981  0.609584  1
  Al  Al163  1  0.867320  0.243625  0.664083  1
  Al  Al164  1  0.367320  0.243625  0.664083  1
  Al  Al165  1  0.308915  0.632654  0.654880  1
  Al  Al166  1  0.715770  0.945938  0.638479  1
  Al  Al167  1  0.808915  0.632654  0.654880  1
  Al  Al168  1  0.215770  0.945938  0.638479  1
  Al  Al169  1  0.150501  0.155659  0.657103  1
  Al  Al170  1  0.650501  0.155659  0.657103  1
  Al  Al171  1  0.584821  0.500652  0.642438  1
  Al  Al172  1  0.743567  0.809230  0.668660  1
  Al  Al173  1  0.084821  0.500652  0.642438  1
  Al  Al174  1  0.243567  0.809230  0.668660  1
  Al  Al175  1  0.077425  0.375293  0.677908  1
  Al  Al176  1  0.577425  0.375293  0.677908  1
  Al  Al177  1  0.528249  0.716978  0.663387  1
  Al  Al178  1  0.936439  0.065948  0.648220  1
  Al  Al179  1  0.028249  0.716978  0.663387  1
  Al  Al180  1  0.436439  0.065948  0.648220  1
  Al  Al181  1  0.622622  0.244096  0.709656  1
  Al  Al182  1  0.122622  0.244096  0.709656  1
  Al  Al183  1  0.006795  0.542662  0.693193  1
  Al  Al184  1  0.469125  0.948157  0.684771  1
  Al  Al185  1  0.506795  0.542662  0.693193  1
  Al  Al186  1  0.969125  0.948157  0.684771  1
  Al  Al187  1  0.907161  0.113945  0.700036  1
  Al  Al188  1  0.407161  0.113945  0.700036  1
  Al  Al189  1  0.292108  0.467696  0.676181  1
  Al  Al190  1  0.423329  0.777850  0.696699  1
  Al  Al191  1  0.792108  0.467696  0.676181  1
  Al  Al192  1  0.923329  0.777850  0.696699  1
  Al  Al193  1  0.863385  0.362383  0.706595  1
  Al  Al194  1  0.363385  0.362383  0.706595  1
  Al  Al195  1  0.211601  0.679729  0.706570  1
  Al  Al196  1  0.688748  0.037631  0.686929  1
  Al  Al197  1  0.711601  0.679729  0.706570  1
  Al  Al198  1  0.188748  0.037631  0.686929  1
  Ni  Ni199  1  0.633703  0.612016  0.309604  1
  Ni  Ni200  1  0.133703  0.612016  0.309604  1
  Ni  Ni201  1  0.052174  0.960827  0.295728  1
  Ni  Ni202  1  0.488368  0.297032  0.282498  1
  Ni  Ni203  1  0.552174  0.960827  0.295728  1
  Ni  Ni204  1  0.988368  0.297032  0.282498  1
  Ni  Ni205  1  0.428593  0.529868  0.300527  1
  Ni  Ni206  1  0.928593  0.529868  0.300527  1
  Ni  Ni207  1  0.852373  0.878890  0.288401  1
  Ni  Ni208  1  0.015818  0.187647  0.315012  1
  Ni  Ni209  1  0.352373  0.878890  0.288401  1
  Ni  Ni210  1  0.515818  0.187647  0.315012  1
  Ni  Ni211  1  0.369421  0.582478  0.350243  1
  Ni  Ni212  1  0.869421  0.582478  0.350243  1
  Ni  Ni213  1  0.787508  0.928228  0.335371  1
  Ni  Ni214  1  0.218596  0.271887  0.325724  1
  Ni  Ni215  1  0.287508  0.928228  0.335371  1
  Ni  Ni216  1  0.718596  0.271887  0.325724  1
  Ni  Ni217  1  0.163142  0.496343  0.341135  1
  Ni  Ni218  1  0.663142  0.496343  0.341135  1
  Ni  Ni219  1  0.580872  0.838493  0.329007  1
  Ni  Ni220  1  0.735981  0.146060  0.355430  1
  Ni  Ni221  1  0.080872  0.838493  0.329007  1
  Ni  Ni222  1  0.235981  0.146060  0.355430  1
  Ni  Ni223  1  0.099594  0.549608  0.389249  1
  Ni  Ni224  1  0.599594  0.549608  0.389249  1
  Ni  Ni225  1  0.527759  0.895714  0.376996  1
  Ni  Ni226  1  0.945273  0.237037  0.362710  1
  Ni  Ni227  1  0.027759  0.895714  0.376996  1
  Ni  Ni228  1  0.445273  0.237037  0.362710  1
  Ni  Ni229  1  0.887580  0.456467  0.382388  1
  Ni  Ni230  1  0.387580  0.456467  0.382388  1
  Ni  Ni231  1  0.312598  0.802987  0.368287  1
  Ni  Ni232  1  0.468205  0.111291  0.395721  1
  Ni  Ni233  1  0.812598  0.802987  0.368287  1
  Ni  Ni234  1  0.968205  0.111291  0.395721  1
  Ni  Ni235  1  0.836547  0.517117  0.429780  1
  Ni  Ni236  1  0.336547  0.517117  0.429780  1
  Ni  Ni237  1  0.256618  0.860828  0.416370  1
  Ni  Ni238  1  0.682845  0.206137  0.403503  1
  Ni  Ni239  1  0.756618  0.860828  0.416370  1
  Ni  Ni240  1  0.182845  0.206137  0.403503  1
  Ni  Ni241  1  0.623226  0.422403  0.422358  1
  Ni  Ni242  1  0.123226  0.422403  0.422358  1
  Ni  Ni243  1  0.043427  0.767140  0.408497  1
  Ni  Ni244  1  0.200200  0.077672  0.435377  1
  Ni  Ni245  1  0.543427  0.767140  0.408497  1
  Ni  Ni246  1  0.700200  0.077672  0.435377  1
  Ni  Ni247  1  0.568990  0.482480  0.470079  1
  Ni  Ni248  1  0.068990  0.482480  0.470079  1
  Ni  Ni249  1  0.990754  0.827076  0.456615  1
  Ni  Ni250  1  0.413720  0.171572  0.443488  1
  Ni  Ni251  1  0.490754  0.827076  0.456615  1
  Ni  Ni252  1  0.913720  0.171572  0.443488  1
  Ni  Ni253  1  0.355801  0.388551  0.461999  1
  Ni  Ni254  1  0.855801  0.388551  0.461999  1
  Ni  Ni255  1  0.777861  0.733085  0.448679  1
  Ni  Ni256  1  0.933303  0.043738  0.475479  1
  Ni  Ni257  1  0.277861  0.733085  0.448679  1
  Ni  Ni258  1  0.433303  0.043738  0.475479  1
  Ni  Ni259  1  0.302094  0.448619  0.510179  1
  Ni  Ni260  1  0.802094  0.448619  0.510179  1
  Ni  Ni261  1  0.723503  0.792995  0.496656  1
  Ni  Ni262  1  0.146556  0.137754  0.483566  1
  Ni  Ni263  1  0.223503  0.792995  0.496656  1
  Ni  Ni264  1  0.646556  0.137754  0.483566  1
  Ni  Ni265  1  0.088772  0.354600  0.502070  1
  Ni  Ni266  1  0.588772  0.354600  0.502070  1
  Ni  Ni267  1  0.510322  0.699078  0.488567  1
  Ni  Ni268  1  0.665608  0.009640  0.515438  1
  Ni  Ni269  1  0.010322  0.699078  0.488567  1
  Ni  Ni270  1  0.165608  0.009640  0.515438  1
  Ni  Ni271  1  0.034492  0.414585  0.550010  1
  Ni  Ni272  1  0.534492  0.414585  0.550010  1
  Ni  Ni273  1  0.456681  0.759139  0.536838  1
  Ni  Ni274  1  0.878748  0.103553  0.523527  1
  Ni  Ni275  1  0.956681  0.759139  0.536838  1
  Ni  Ni276  1  0.378748  0.103553  0.523527  1
  Ni  Ni277  1  0.821478  0.320489  0.542122  1
  Ni  Ni278  1  0.321478  0.320489  0.542122  1
  Ni  Ni279  1  0.243335  0.665186  0.528696  1
  Ni  Ni280  1  0.398379  0.975782  0.555406  1
  Ni  Ni281  1  0.743335  0.665186  0.528696  1
  Ni  Ni282  1  0.898379  0.975782  0.555406  1
  Ni  Ni283  1  0.768977  0.380647  0.590093  1
  Ni  Ni284  1  0.268977  0.380647  0.590093  1
  Ni  Ni285  1  0.188942  0.725384  0.576429  1
  Ni  Ni286  1  0.611949  0.069607  0.563736  1
  Ni  Ni287  1  0.688942  0.725384  0.576429  1
  Ni  Ni288  1  0.111949  0.069607  0.563736  1
  Ni  Ni289  1  0.555742  0.286742  0.582290  1
  Ni  Ni290  1  0.055742  0.286742  0.582290  1
  Ni  Ni291  1  0.975886  0.630916  0.568977  1
  Ni  Ni292  1  0.128383  0.940665  0.595709  1
  Ni  Ni293  1  0.475886  0.630916  0.568977  1
  Ni  Ni294  1  0.628383  0.940665  0.595709  1
  Ni  Ni295  1  0.498447  0.343919  0.630390  1
  Ni  Ni296  1  0.998447  0.343919  0.630390  1
  Ni  Ni297  1  0.925034  0.691833  0.616598  1
  Ni  Ni298  1  0.343113  0.035123  0.603405  1
  Ni  Ni299  1  0.425034  0.691833  0.616598  1
  Ni  Ni300  1  0.843113  0.035123  0.603405  1
  Ni  Ni301  1  0.284381  0.252106  0.621579  1
  Ni  Ni302  1  0.784381  0.252106  0.621579  1
  Ni  Ni303  1  0.712521  0.598412  0.609386  1
  Ni  Ni304  1  0.869363  0.910613  0.636476  1
  Ni  Ni305  1  0.212521  0.598412  0.609386  1
  Ni  Ni306  1  0.369363  0.910613  0.636476  1
  Ni  Ni307  1  0.232412  0.309677  0.669432  1
  Ni  Ni308  1  0.732412  0.309677  0.669432  1
  Ni  Ni309  1  0.648734  0.651154  0.657307  1
  Ni  Ni310  1  0.077104  1.000999  0.643380  1
  Ni  Ni311  1  0.148734  0.651154  0.657307  1
  Ni  Ni312  1  0.577104  1.000999  0.643380  1
  Ni  Ni313  1  0.025179  0.220742  0.663251  1
  Ni  Ni314  1  0.525179  0.220742  0.663251  1
  Ni  Ni315  1  0.441937  0.564855  0.648210  1
  Ni  Ni316  1  0.601057  0.875272  0.677368  1
  Ni  Ni317  1  0.941937  0.564855  0.648210  1
  Ni  Ni318  1  0.101057  0.875272  0.677368  1
  Ni  Ni319  1  0.959965  0.269516  0.710143  1
  Ni  Ni320  1  0.459965  0.269516  0.710143  1
  Ni  Ni321  1  0.381382  0.618254  0.698196  1
  Ni  Ni322  1  0.804849  0.964069  0.682233  1
  Ni  Ni323  1  0.881382  0.618254  0.698196  1
  Ni  Ni324  1  0.304849  0.964069  0.682233  1
  Ni  Ni325  1  0.760271  0.189469  0.703513  1
  Ni  Ni326  1  0.260271  0.189469  0.703513  1
  Ni  Ni327  1  0.176607  0.533528  0.688530  1
  Ni  Ni328  1  0.310118  0.849392  0.715361  1
  Ni  Ni329  1  0.676607  0.533528  0.688530  1
  Ni  Ni330  1  0.810118  0.849392  0.715361  1
