# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.92870668
_cell_length_b   9.90955879
_cell_length_c   50.92750616
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.12825235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7795.56909857
_cell_formula_units_Z   60
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  0.904497  0.936375  0.337016  1
  Al  Al2  1  0.509740  0.184434  0.279777  1
  Al  Al3  1  0.207533  0.049332  0.307350  1
  Al  Al4  1  0.696137  0.312974  0.294632  1
  Al  Al5  1  0.400352  0.193729  0.324292  1
  Al  Al6  1  0.102468  0.073798  0.355173  1
  Al  Al7  1  0.758808  0.691460  0.347593  1
  Al  Al8  1  0.361835  0.932594  0.287941  1
  Al  Al9  1  0.060957  0.802125  0.318883  1
  Al  Al10  1  0.874647  0.376233  0.300137  1
  Al  Al11  1  0.572083  0.262998  0.331632  1
  Al  Al12  1  0.274194  0.139896  0.360402  1
  Al  Al13  1  0.817898  0.158838  0.332964  1
  Al  Al14  1  0.422176  0.405504  0.272927  1
  Al  Al15  1  0.115869  0.279440  0.300634  1
  Al  Al16  1  0.936303  0.847205  0.285765  1
  Al  Al17  1  0.632295  0.732079  0.314076  1
  Al  Al18  1  0.330169  0.609032  0.345331  1
  Al  Al19  1  0.778635  0.897394  0.295164  1
  Al  Al20  1  0.475626  0.777191  0.326132  1
  Al  Al21  1  0.175472  0.654981  0.356101  1
  Al  Al22  1  0.992414  0.224076  0.339274  1
  Al  Al23  1  0.601093  0.487773  0.277941  1
  Al  Al24  1  0.291057  0.343904  0.309103  1
  Al  Al25  1  0.912489  0.640026  0.336931  1
  Al  Al26  1  0.525960  0.892571  0.277637  1
  Al  Al27  1  0.215757  0.760039  0.306824  1
  Al  Al28  1  0.931078  0.130209  0.289238  1
  Al  Al29  1  0.641708  0.034387  0.314657  1
  Al  Al30  1  0.341358  0.912675  0.343444  1
  Al  Al31  1  0.788161  0.604100  0.295443  1
  Al  Al32  1  0.487545  0.484913  0.325202  1
  Al  Al33  1  0.186835  0.362745  0.355222  1
  Al  Al34  1  0.749887  0.387754  0.349055  1
  Al  Al35  1  0.346792  0.629216  0.290189  1
  Al  Al36  1  0.048015  0.502782  0.320631  1
  Al  Al37  1  1.001020  0.580952  0.428433  1
  Al  Al38  1  0.602008  0.816821  0.367059  1
  Al  Al39  1  0.301253  0.699208  0.397881  1
  Al  Al40  1  0.800486  0.956618  0.385017  1
  Al  Al41  1  0.499484  0.838680  0.415485  1
  Al  Al42  1  0.198962  0.720185  0.445990  1
  Al  Al43  1  0.857954  0.334368  0.438794  1
  Al  Al44  1  0.458229  0.572826  0.377803  1
  Al  Al45  1  0.158584  0.452835  0.408326  1
  Al  Al46  1  0.973526  0.020382  0.390753  1
  Al  Al47  1  0.672862  0.902847  0.421243  1
  Al  Al48  1  0.372138  0.784937  0.451757  1
  Al  Al49  1  0.915756  0.805388  0.423646  1
  Al  Al50  1  0.518446  0.042083  0.364043  1
  Al  Al51  1  0.216590  0.924384  0.393940  1
  Al  Al52  1  0.031236  0.489986  0.376234  1
  Al  Al53  1  0.731813  0.374168  0.406433  1
  Al  Al54  1  0.430587  0.255920  0.436819  1
  Al  Al55  1  0.875857  0.539379  0.386274  1
  Al  Al56  1  0.575967  0.421947  0.416995  1
  Al  Al57  1  0.274920  0.303169  0.447141  1
  Al  Al58  1  0.088718  0.869395  0.429805  1
  Al  Al59  1  0.691132  0.107720  0.368919  1
  Al  Al60  1  0.389364  0.988800  0.399421  1
  Al  Al61  1  0.013844  0.287841  0.428625  1
  Al  Al62  1  0.613610  0.523550  0.367915  1
  Al  Al63  1  0.313757  0.406263  0.398025  1
  Al  Al64  1  0.040821  0.791963  0.373809  1
  Al  Al65  1  0.740990  0.675695  0.403940  1
  Al  Al66  1  0.440567  0.557822  0.434380  1
  Al  Al67  1  0.888705  0.244097  0.386562  1
  Al  Al68  1  0.588187  0.126971  0.417178  1
  Al  Al69  1  0.286920  0.009749  0.447209  1
  Al  Al70  1  0.847722  0.032114  0.441212  1
  Al  Al71  1  0.449583  0.269660  0.380320  1
  Al  Al72  1  0.148750  0.150170  0.411112  1
  Al  Al73  1  0.099555  0.225842  0.519651  1
  Al  Al74  1  0.700874  0.462978  0.458913  1
  Al  Al75  1  0.400067  0.344512  0.489260  1
  Al  Al76  1  0.898102  0.601085  0.476418  1
  Al  Al77  1  0.597427  0.482517  0.506840  1
  Al  Al78  1  0.296874  0.364454  0.537182  1
  Al  Al79  1  0.955909  0.979083  0.529957  1
  Al  Al80  1  0.557163  0.216325  0.469226  1
  Al  Al81  1  0.256517  0.097900  0.499599  1
  Al  Al82  1  0.071391  0.666261  0.482181  1
  Al  Al83  1  0.770719  0.547572  0.512688  1
  Al  Al84  1  0.470149  0.429279  0.543183  1
  Al  Al85  1  0.014275  0.449997  0.515037  1
  Al  Al86  1  0.615517  0.686979  0.454034  1
  Al  Al87  1  0.314947  0.568686  0.484529  1
  Al  Al88  1  0.129757  0.137175  0.467260  1
  Al  Al89  1  0.829149  0.018359  0.497618  1
  Al  Al90  1  0.528503  0.899934  0.527991  1
  Al  Al91  1  0.974079  0.183970  0.477536  1
  Al  Al92  1  0.673477  0.065533  0.507912  1
  Al  Al93  1  0.372618  0.947150  0.538307  1
  Al  Al94  1  0.187564  0.515173  0.520799  1
  Al  Al95  1  0.788792  0.751804  0.460035  1
  Al  Al96  1  0.488239  0.633742  0.490377  1
  Al  Al97  1  0.111587  0.932288  0.519681  1
  Al  Al98  1  0.713048  0.169108  0.458910  1
  Al  Al99  1  0.412189  0.050725  0.489305  1
  Al  Al100  1  0.140007  0.439598  0.464833  1
  Al  Al101  1  0.839220  0.320708  0.495214  1
  Al  Al102  1  0.538546  0.202233  0.525649  1
  Al  Al103  1  0.986111  0.890417  0.477566  1
  Al  Al104  1  0.685599  0.771747  0.507957  1
  Al  Al105  1  0.384792  0.653280  0.538304  1
  Al  Al106  1  0.945659  0.676660  0.532384  1
  Al  Al107  1  0.547120  0.914026  0.471568  1
  Al  Al108  1  0.246446  0.795550  0.502003  1
  Al  Al109  1  0.196961  0.872162  0.610655  1
  Al  Al110  1  0.798746  0.106510  0.550008  1
  Al  Al111  1  0.497480  0.989287  0.580039  1
  Al  Al112  1  0.996948  0.246863  0.567412  1
  Al  Al113  1  0.696302  0.127458  0.597796  1
  Al  Al114  1  0.394534  0.008539  0.628299  1
  Al  Al115  1  0.054430  0.626272  0.620983  1
  Al  Al116  1  0.655080  0.860339  0.560398  1
  Al  Al117  1  0.353853  0.742090  0.590784  1
  Al  Al118  1  0.169910  0.310870  0.573571  1
  Al  Al119  1  0.869076  0.191874  0.603277  1
  Al  Al120  1  0.567220  0.074176  0.633174  1
  Al  Al121  1  0.112140  0.095877  0.606464  1
  Al  Al122  1  0.713528  0.331322  0.545460  1
  Al  Al123  1  0.412804  0.213411  0.575974  1
  Al  Al124  1  0.227712  0.781891  0.558423  1
  Al  Al125  1  0.927082  0.663423  0.588891  1
  Al  Al126  1  0.627437  0.543433  0.619414  1
  Al  Al127  1  0.071822  0.828417  0.568592  1
  Al  Al128  1  0.771909  0.709995  0.599192  1
  Al  Al129  1  0.472056  0.592709  0.629302  1
  Al  Al130  1  0.285180  0.159640  0.612200  1
  Al  Al131  1  0.886704  0.396074  0.551227  1
  Al  Al132  1  0.586182  0.277579  0.581732  1
  Al  Al133  1  0.209809  0.576879  0.610943  1
  Al  Al134  1  0.810746  0.813090  0.550076  1
  Al  Al135  1  0.509699  0.694311  0.580222  1
  Al  Al136  1  0.237944  0.084144  0.556005  1
  Al  Al137  1  0.936916  0.966088  0.586105  1
  Al  Al138  1  0.636083  0.846598  0.616897  1
  Al  Al139  1  0.084646  0.535306  0.568784  1
  Al  Al140  1  0.784413  0.417051  0.599336  1
  Al  Al141  1  0.483658  0.299438  0.630158  1
  Al  Al142  1  0.044845  0.324295  0.623408  1
  Al  Al143  1  0.645099  0.558436  0.562837  1
  Al  Al144  1  0.344676  0.440564  0.593277  1
  Al  Al145  1  0.297505  0.512158  0.701774  1
  Al  Al146  1  0.898831  0.753513  0.641995  1
  Al  Al147  1  0.598121  0.631346  0.672015  1
  Al  Al148  1  0.093252  0.892182  0.657943  1
  Al  Al149  1  0.794609  0.772355  0.688114  1
  Al  Al150  1  0.484573  0.628486  0.719276  1
  Al  Al151  1  0.149364  0.269053  0.711452  1
  Al  Al152  1  0.755497  0.507226  0.651886  1
  Al  Al153  1  0.453371  0.384179  0.683141  1
  Al  Al154  1  0.267768  0.957420  0.664253  1
  Al  Al155  1  0.969797  0.836818  0.696583  1
  Al  Al156  1  0.663490  0.710755  0.724290  1
  Al  Al157  1  0.211019  0.740026  0.697080  1
  Al  Al158  1  0.811472  0.976363  0.636815  1
  Al  Al159  1  0.513583  0.853261  0.665585  1
  Al  Al160  1  0.326858  0.424799  0.649624  1
  Al  Al161  1  0.024710  0.314133  0.678334  1
  Al  Al162  1  0.723831  0.183664  0.709276  1
  Al  Al163  1  0.173177  0.476232  0.660286  1
  Al  Al164  1  0.869909  0.356219  0.690393  1
  Al  Al165  1  0.559706  0.223687  0.719580  1
  Al  Al166  1  0.389529  0.803285  0.702585  1
  Al  Al167  1  0.983198  0.042460  0.642044  1
  Al  Al168  1  0.685314  0.922530  0.672925  1
  Al  Al169  1  0.307031  0.218865  0.702053  1
  Al  Al170  1  0.910194  0.461277  0.641116  1
  Al  Al171  1  0.610040  0.339067  0.671085  1
  Al  Al172  1  0.335779  0.728505  0.648162  1
  Al  Al173  1  0.037651  0.613476  0.676586  1
  Al  Al174  1  0.738874  0.487043  0.707028  1
  Al  Al175  1  0.181169  0.179884  0.660201  1
  Al  Al176  1  0.878133  0.066927  0.689867  1
  Al  Al177  1  0.575926  0.931825  0.717440  1
  Al  Al178  1  0.154588  0.986049  0.707979  1
  Al  Al179  1  0.744308  0.203583  0.653773  1
  Al  Al180  1  0.443958  0.081871  0.682560  1
  Ni  Ni181  1  0.734961  0.921102  0.341180  1
  Ni  Ni182  1  0.338415  0.165042  0.279789  1
  Ni  Ni183  1  0.042473  0.036058  0.311171  1
  Ni  Ni184  1  0.775656  0.139547  0.285607  1
  Ni  Ni185  1  0.484331  0.021181  0.317543  1
  Ni  Ni186  1  0.184393  0.899538  0.347115  1
  Ni  Ni187  1  0.958605  0.613266  0.291268  1
  Ni  Ni188  1  0.656161  0.500190  0.322801  1
  Ni  Ni189  1  0.357344  0.378662  0.352552  1
  Ni  Ni190  1  0.907170  0.396250  0.347524  1
  Ni  Ni191  1  0.503881  0.642296  0.286450  1
  Ni  Ni192  1  0.205296  0.515140  0.315591  1
  Ni  Ni193  1  0.833264  0.566728  0.432238  1
  Ni  Ni194  1  0.433159  0.803997  0.371541  1
  Ni  Ni195  1  0.133632  0.684840  0.401906  1
  Ni  Ni196  1  0.883124  0.783504  0.376225  1
  Ni  Ni197  1  0.582521  0.666088  0.406666  1
  Ni  Ni198  1  0.282208  0.547639  0.437226  1
  Ni  Ni199  1  0.057349  0.258627  0.383034  1
  Ni  Ni200  1  0.755805  0.141500  0.413007  1
  Ni  Ni201  1  0.455024  0.023562  0.443446  1
  Ni  Ni202  1  0.005939  0.042976  0.438188  1
  Ni  Ni203  1  0.608196  0.279858  0.378273  1
  Ni  Ni204  1  0.306992  0.162506  0.407778  1
  Ni  Ni205  1  0.931245  0.211276  0.523382  1
  Ni  Ni206  1  0.532558  0.448532  0.462721  1
  Ni  Ni207  1  0.231975  0.330086  0.493021  1
  Ni  Ni208  1  0.981580  0.428711  0.467746  1
  Ni  Ni209  1  0.680906  0.310150  0.498136  1
  Ni  Ni210  1  0.380298  0.191962  0.528555  1
  Ni  Ni211  1  0.154421  0.904983  0.473835  1
  Ni  Ni212  1  0.853691  0.786172  0.504196  1
  Ni  Ni213  1  0.553108  0.667726  0.534496  1
  Ni  Ni214  1  0.104086  0.687548  0.529471  1
  Ni  Ni215  1  0.705368  0.924296  0.468662  1
  Ni  Ni216  1  0.404760  0.806108  0.499081  1
  Ni  Ni217  1  0.028317  0.857631  0.614183  1
  Ni  Ni218  1  0.630642  0.092696  0.553771  1
  Ni  Ni219  1  0.329861  0.974758  0.584210  1
  Ni  Ni220  1  0.079727  0.073282  0.559029  1
  Ni  Ni221  1  0.778674  0.953752  0.589439  1
  Ni  Ni222  1  0.477470  0.836400  0.618944  1
  Ni  Ni223  1  0.252402  0.549530  0.564979  1
  Ni  Ni224  1  0.952034  0.431418  0.595311  1
  Ni  Ni225  1  0.652507  0.312262  0.625676  1
  Ni  Ni226  1  0.202542  0.332755  0.620992  1
  Ni  Ni227  1  0.803458  0.568619  0.559991  1
  Ni  Ni228  1  0.503145  0.450170  0.590551  1
  Ni  Ni229  1  0.127061  0.502993  0.705949  1
  Ni  Ni230  1  0.728322  0.737597  0.644665  1
  Ni  Ni231  1  0.429505  0.616069  0.674416  1
  Ni  Ni232  1  0.178496  0.720008  0.649693  1
  Ni  Ni233  1  0.880370  0.601119  0.681626  1
  Ni  Ni234  1  0.581785  0.473963  0.710767  1
  Ni  Ni235  1  0.350705  0.195156  0.656037  1
  Ni  Ni236  1  0.043193  0.080200  0.686046  1
  Ni  Ni237  1  0.747251  0.951216  0.717428  1
  Ni  Ni238  1  0.310010  0.976712  0.711610  1
  Ni  Ni239  1  0.901273  0.216720  0.650102  1
  Ni  Ni240  1  0.601335  0.095077  0.679674  1
