# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.83869075
_cell_length_b   9.20524602
_cell_length_c   49.04958439
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.20259139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   8427.2770851
_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  0.822770  0.118993  0.342143  1
  Al  Al2  1  0.143418  0.030335  0.367050  1
  Al  Al3  1  0.506694  0.215941  0.314431  1
  Al  Al4  1  0.899852  0.406844  0.318102  1
  Al  Al5  1  0.210678  0.320133  0.347097  1
  Al  Al6  1  0.581834  0.495992  0.292160  1
  Al  Al7  1  0.866770  0.825503  0.366064  1
  Al  Al8  1  0.231487  0.005371  0.310179  1
  Al  Al9  1  0.546873  0.912047  0.340021  1
  Al  Al10  1  0.946450  0.632739  0.290208  1
  Al  Al11  1  0.272967  0.505998  0.314069  1
  Al  Al12  1  0.590843  0.402625  0.344346  1
  Al  Al13  1  0.059413  0.426586  0.312074  1
  Al  Al14  1  0.376345  0.324150  0.341832  1
  Al  Al15  1  0.697898  0.233650  0.369773  1
  Al  Al16  1  0.094446  0.933228  0.315063  1
  Al  Al17  1  0.419247  0.817022  0.345715  1
  Al  Al18  1  0.796632  0.988146  0.291970  1
  Al  Al19  1  0.034736  0.845610  0.362065  1
  Al  Al20  1  0.392776  0.036128  0.306542  1
  Al  Al21  1  0.713253  0.933427  0.335567  1
  Al  Al22  1  0.076824  0.334308  0.365585  1
  Al  Al23  1  0.439931  0.512426  0.309652  1
  Al  Al24  1  0.760752  0.424621  0.337457  1
  Al  Al25  1  0.934819  0.900114  0.319756  1
  Al  Al26  1  0.253534  0.797301  0.349603  1
  Al  Al27  1  0.612586  0.987737  0.294087  1
  Al  Al28  1  0.995878  0.161687  0.331708  1
  Al  Al29  1  0.310541  0.064759  0.356949  1
  Al  Al30  1  0.684291  0.230354  0.307610  1
  Al  Al31  1  0.143811  0.606522  0.346128  1
  Al  Al32  1  0.493690  0.786463  0.292857  1
  Al  Al33  1  0.817903  0.695444  0.319101  1
  Al  Al34  1  0.975074  0.582875  0.353102  1
  Al  Al35  1  0.334591  0.758207  0.300838  1
  Al  Al36  1  0.655196  0.665440  0.327998  1
  Al  Al37  1  0.776469  0.846758  0.424706  1
  Al  Al38  1  0.094954  0.758437  0.451821  1
  Al  Al39  1  0.459449  0.936193  0.396617  1
  Al  Al40  1  0.845448  0.132075  0.401723  1
  Al  Al41  1  0.163770  0.042319  0.429492  1
  Al  Al42  1  0.525238  0.220447  0.374931  1
  Al  Al43  1  0.818755  0.553770  0.449993  1
  Al  Al44  1  0.183635  0.734916  0.394442  1
  Al  Al45  1  0.500333  0.641284  0.422805  1
  Al  Al46  1  0.909158  0.314045  0.370438  1
  Al  Al47  1  0.227585  0.221945  0.398161  1
  Al  Al48  1  0.544205  0.130790  0.426759  1
  Al  Al49  1  0.015457  0.145694  0.396549  1
  Al  Al50  1  0.330937  0.051527  0.425827  1
  Al  Al51  1  0.649133  0.961262  0.453915  1
  Al  Al52  1  0.056697  0.636038  0.400717  1
  Al  Al53  1  0.373595  0.542013  0.429705  1
  Al  Al54  1  0.740644  0.722326  0.373727  1
  Al  Al55  1  0.987702  0.568041  0.445974  1
  Al  Al56  1  0.351105  0.748174  0.390790  1
  Al  Al57  1  0.670196  0.655592  0.418830  1
  Al  Al58  1  0.029977  0.055535  0.449224  1
  Al  Al59  1  0.392501  0.234166  0.394114  1
  Al  Al60  1  0.712310  0.144123  0.422271  1
  Al  Al61  1  0.890069  0.622449  0.405529  1
  Al  Al62  1  0.207637  0.529863  0.433630  1
  Al  Al63  1  0.572675  0.705460  0.378624  1
  Al  Al64  1  0.949160  0.885055  0.413083  1
  Al  Al65  1  0.265585  0.793120  0.441240  1
  Al  Al66  1  0.630835  0.970549  0.386642  1
  Al  Al67  1  0.098302  0.338427  0.427122  1
  Al  Al68  1  0.462159  0.515933  0.372385  1
  Al  Al69  1  0.783217  0.428235  0.399288  1
  Al  Al70  1  0.927962  0.304167  0.437531  1
  Al  Al71  1  0.291463  0.485624  0.382252  1
  Al  Al72  1  0.608971  0.391583  0.410384  1
  Al  Al73  1  0.728757  0.574262  0.508320  1
  Al  Al74  1  0.048309  0.485794  0.535592  1
  Al  Al75  1  0.411694  0.664383  0.480576  1
  Al  Al76  1  0.798608  0.860548  0.485172  1
  Al  Al77  1  0.116634  0.770476  0.513200  1
  Al  Al78  1  0.480611  0.948976  0.458006  1
  Al  Al79  1  0.771357  0.281483  0.533561  1
  Al  Al80  1  0.136524  0.462296  0.477807  1
  Al  Al81  1  0.453728  0.369381  0.506317  1
  Al  Al82  1  0.862550  0.042566  0.453699  1
  Al  Al83  1  0.180108  0.951811  0.481654  1
  Al  Al84  1  0.496539  0.858486  0.510091  1
  Al  Al85  1  0.967351  0.873015  0.481063  1
  Al  Al86  1  0.283782  0.779690  0.509500  1
  Al  Al87  1  0.601340  0.688935  0.537455  1
  Al  Al88  1  1.010161  0.362121  0.484836  1
  Al  Al89  1  0.327365  0.269205  0.513347  1
  Al  Al90  1  0.692532  0.450018  0.457593  1
  Al  Al91  1  0.939903  0.295870  0.529557  1
  Al  Al92  1  0.304069  0.474999  0.474551  1
  Al  Al93  1  0.621734  0.383415  0.502352  1
  Al  Al94  1  0.983278  0.782525  0.533148  1
  Al  Al95  1  0.347255  0.961025  0.477954  1
  Al  Al96  1  0.665281  0.870953  0.505982  1
  Al  Al97  1  0.842155  0.348086  0.488802  1
  Al  Al98  1  0.159820  0.256502  0.516603  1
  Al  Al99  1  0.523986  0.435631  0.461597  1
  Al  Al100  1  0.901645  0.611787  0.496829  1
  Al  Al101  1  0.218461  0.519956  0.524861  1
  Al  Al102  1  0.583437  0.699292  0.469734  1
  Al  Al103  1  0.052196  0.067118  0.510578  1
  Al  Al104  1  0.415580  0.245707  0.455562  1
  Al  Al105  1  0.735132  0.157239  0.482834  1
  Al  Al106  1  0.880452  0.032209  0.521420  1
  Al  Al107  1  0.245428  0.211545  0.466293  1
  Al  Al108  1  0.562244  0.119714  0.494324  1
  Al  Al109  1  0.680673  0.303266  0.591866  1
  Al  Al110  1  1.001730  0.215568  0.618769  1
  Al  Al111  1  0.365587  0.393075  0.564032  1
  Al  Al112  1  0.751579  0.587378  0.568882  1
  Al  Al113  1  0.071388  0.497335  0.597040  1
  Al  Al114  1  0.433912  0.675966  0.541930  1
  Al  Al115  1  0.723245  0.009175  0.617427  1
  Al  Al116  1  0.090294  0.189488  0.561449  1
  Al  Al117  1  0.407192  0.095464  0.590437  1
  Al  Al118  1  0.814756  0.770239  0.537238  1
  Al  Al119  1  0.132953  0.679974  0.565327  1
  Al  Al120  1  0.448433  0.585807  0.594605  1
  Al  Al121  1  0.919685  0.600711  0.564395  1
  Al  Al122  1  0.236305  0.509556  0.592993  1
  Al  Al123  1  0.554731  0.417456  0.620716  1
  Al  Al124  1  0.963556  0.090217  0.568349  1
  Al  Al125  1  0.280254  0.996585  0.596712  1
  Al  Al126  1  0.645134  0.177731  0.541161  1
  Al  Al127  1  0.891214  0.026041  0.612530  1
  Al  Al128  1  0.256252  0.201638  0.557524  1
  Al  Al129  1  0.573820  0.109052  0.585625  1
  Al  Al130  1  0.938651  0.511054  0.616223  1
  Al  Al131  1  0.300119  0.689182  0.561662  1
  Al  Al132  1  0.618441  0.599426  0.589431  1
  Al  Al133  1  0.793694  0.075909  0.572324  1
  Al  Al134  1  0.112784  0.983327  0.600364  1
  Al  Al135  1  0.476188  0.163460  0.545180  1
  Al  Al136  1  0.854918  0.339918  0.580770  1
  Al  Al137  1  0.172427  0.245877  0.608901  1
  Al  Al138  1  0.535927  0.427335  0.553623  1
  Al  Al139  1  1.004440  0.795308  0.594537  1
  Al  Al140  1  0.368936  0.973064  0.539333  1
  Al  Al141  1  0.687421  0.884744  0.566448  1
  Al  Al142  1  0.833054  0.760952  0.604512  1
  Al  Al143  1  0.198304  0.938381  0.549914  1
  Al  Al144  1  0.514730  0.846446  0.578070  1
  Al  Al145  1  0.645986  0.036057  0.672053  1
  Al  Al146  1  0.970200  0.945038  0.698297  1
  Al  Al147  1  0.320078  0.124980  0.645025  1
  Al  Al148  1  0.703137  0.306880  0.653697  1
  Al  Al149  1  0.023959  0.219076  0.681502  1
  Al  Al150  1  0.387066  0.397193  0.625568  1
  Al  Al151  1  0.667257  0.743355  0.699184  1
  Al  Al152  1  0.044643  0.914480  0.645438  1
  Al  Al153  1  0.369443  0.798273  0.676091  1
  Al  Al154  1  0.765991  0.497851  0.621381  1
  Al  Al155  1  0.087544  0.407352  0.649322  1
  Al  Al156  1  0.404477  0.304915  0.679080  1
  Al  Al157  1  0.873047  0.328876  0.646807  1
  Al  Al158  1  0.190922  0.225503  0.677085  1
  Al  Al159  1  0.517439  0.098762  0.700946  1
  Al  Al160  1  0.917017  0.819454  0.651133  1
  Al  Al161  1  0.232402  0.726131  0.680975  1
  Al  Al162  1  0.597120  0.905998  0.625090  1
  Al  Al163  1  0.851303  0.743764  0.697067  1
  Al  Al164  1  0.210355  0.934200  0.641551  1
  Al  Al165  1  0.529070  0.831387  0.671398  1
  Al  Al166  1  0.882055  0.235509  0.698994  1
  Al  Al167  1  0.253212  0.411368  0.644057  1
  Al  Al168  1  0.564037  0.324657  0.673052  1
  Al  Al169  1  0.750636  0.798074  0.655587  1
  Al  Al170  1  0.071113  0.695373  0.684611  1
  Al  Al171  1  0.429154  0.885891  0.629089  1
  Al  Al172  1  0.808693  0.066061  0.663156  1
  Al  Al173  1  0.129298  0.973295  0.690316  1
  Al  Al174  1  0.488815  0.148626  0.638051  1
  Al  Al175  1  0.957195  0.515560  0.676723  1
  Al  Al176  1  0.320472  0.701166  0.624104  1
  Al  Al177  1  0.641120  0.612508  0.649010  1
  Al  Al178  1  0.779598  0.501147  0.683544  1
  Al  Al179  1  0.153349  0.666742  0.634205  1
  Al  Al180  1  0.468011  0.569814  0.659446  1
  Ni  Ni181  1  0.125975  0.182431  0.324312  1
  Ni  Ni182  1  0.440329  0.080374  0.352894  1
  Ni  Ni183  1  0.811712  0.259263  0.298587  1
  Ni  Ni184  1  0.932554  0.034797  0.366874  1
  Ni  Ni185  1  0.288393  0.228481  0.310731  1
  Ni  Ni186  1  0.611830  0.121173  0.341478  1
  Ni  Ni187  1  0.848531  0.555270  0.360844  1
  Ni  Ni188  1  0.193984  0.740379  0.306383  1
  Ni  Ni189  1  0.526431  0.643568  0.334391  1
  Ni  Ni190  1  0.046092  0.703532  0.317279  1
  Ni  Ni191  1  0.356031  0.603305  0.345987  1
  Ni  Ni192  1  0.714658  0.788147  0.290799  1
  Ni  Ni193  1  0.077931  0.902303  0.407824  1
  Ni  Ni194  1  0.394595  0.807719  0.436588  1
  Ni  Ni195  1  0.759527  0.988391  0.381034  1
  Ni  Ni196  1  0.886583  0.763600  0.450467  1
  Ni  Ni197  1  0.250253  0.944012  0.394632  1
  Ni  Ni198  1  0.567948  0.850220  0.423521  1
  Ni  Ni199  1  0.799263  0.286648  0.443168  1
  Ni  Ni200  1  0.163680  0.465574  0.389156  1
  Ni  Ni201  1  0.479607  0.374146  0.416185  1
  Ni  Ni202  1  0.989930  0.426658  0.400385  1
  Ni  Ni203  1  0.307108  0.332506  0.429011  1
  Ni  Ni204  1  0.673992  0.511744  0.373816  1
  Ni  Ni205  1  0.030485  0.628864  0.491712  1
  Ni  Ni206  1  0.347461  0.535657  0.520286  1
  Ni  Ni207  1  0.712061  0.717076  0.464509  1
  Ni  Ni208  1  0.838796  0.490725  0.533998  1
  Ni  Ni209  1  0.203312  0.672159  0.478517  1
  Ni  Ni210  1  0.520606  0.578804  0.506908  1
  Ni  Ni211  1  0.751828  0.014425  0.526645  1
  Ni  Ni212  1  0.116428  0.195844  0.470867  1
  Ni  Ni213  1  0.433405  0.102637  0.499442  1
  Ni  Ni214  1  0.943284  0.152698  0.484246  1
  Ni  Ni215  1  0.260577  0.059342  0.512636  1
  Ni  Ni216  1  0.625093  0.240776  0.457156  1
  Ni  Ni217  1  0.984282  0.357355  0.574969  1
  Ni  Ni218  1  0.300209  0.265927  0.601998  1
  Ni  Ni219  1  0.664626  0.444853  0.547986  1
  Ni  Ni220  1  0.789897  0.219757  0.617338  1
  Ni  Ni221  1  0.156781  0.398995  0.562143  1
  Ni  Ni222  1  0.473959  0.304843  0.590769  1
  Ni  Ni223  1  0.704362  0.743110  0.610120  1
  Ni  Ni224  1  0.069294  0.923783  0.554565  1
  Ni  Ni225  1  0.385958  0.829198  0.583330  1
  Ni  Ni226  1  0.895942  0.881281  0.567632  1
  Ni  Ni227  1  0.213637  0.787489  0.596522  1
  Ni  Ni228  1  0.577306  0.967901  0.540686  1
  Ni  Ni229  1  0.937459  0.087933  0.656763  1
  Ni  Ni230  1  0.269905  0.991122  0.684771  1
  Ni  Ni231  1  0.615358  0.176231  0.630310  1
  Ni  Ni232  1  0.749231  0.943354  0.700355  1
  Ni  Ni233  1  0.107858  0.128196  0.645167  1
  Ni  Ni234  1  0.417797  0.027970  0.673875  1
  Ni  Ni235  1  0.652178  0.472238  0.692567  1
  Ni  Ni236  1  0.023560  0.651127  0.638260  1
  Ni  Ni237  1  0.337914  0.549070  0.666842  1
  Ni  Ni238  1  0.852059  0.610328  0.649676  1
  Ni  Ni239  1  0.175497  0.503020  0.680423  1
  Ni  Ni240  1  0.531335  0.696705  0.624279  1
