# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84700960
_cell_length_b   23.67238573
_cell_length_c   49.86061120
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.67009738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al216 Ni72'
_cell_volume   9186.29043343
_cell_formula_units_Z   72
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  0.541295  1.000015  0.307437  1
  Al  Al2  1  0.403008  0.304683  0.327494  1
  Al  Al3  1  0.648680  0.658395  0.280105  1
  Al  Al4  1  0.816123  0.054517  0.282028  1
  Al  Al5  1  0.680867  0.383713  0.307397  1
  Al  Al6  1  0.552348  0.704115  0.332756  1
  Al  Al7  1  0.791008  0.935202  0.272841  1
  Al  Al8  1  0.739299  0.242278  0.296140  1
  Al  Al9  1  0.601617  0.573124  0.321548  1
  Al  Al10  1  0.693182  0.072838  0.335428  1
  Al  Al11  1  0.946578  0.422864  0.279080  1
  Al  Al12  1  0.814683  0.746929  0.304861  1
  Al  Al13  1  0.178463  0.042643  0.294844  1
  Al  Al14  1  0.073887  0.373566  0.325768  1
  Al  Al15  1  0.309869  0.727488  0.273135  1
  Al  Al16  1  0.410303  0.218194  0.284584  1
  Al  Al17  1  0.284117  0.546989  0.305579  1
  Al  Al18  1  0.167382  0.872538  0.332051  1
  Al  Al19  1  0.423961  0.909252  0.288989  1
  Al  Al20  1  0.123588  0.240743  0.315866  1
  Al  Al21  1  0.010080  0.564746  0.341236  1
  Al  Al22  1  0.457381  0.092360  0.273041  1
  Al  Al23  1  0.340454  0.415018  0.297691  1
  Al  Al24  1  0.211611  0.738600  0.325345  1
  Al  Al25  1  0.026836  0.229925  0.263848  1
  Al  Al26  1  0.893614  0.552774  0.289695  1
  Al  Al27  1  0.758915  0.880473  0.319171  1
  Al  Al28  1  0.934570  0.978998  0.324544  1
  Al  Al29  1  0.206307  0.323212  0.275514  1
  Al  Al30  1  0.065667  0.652733  0.295379  1
  Al  Al31  1  0.361503  0.133133  0.328460  1
  Al  Al32  1  0.605350  0.489045  0.280952  1
  Al  Al33  1  0.473359  0.802656  0.305817  1
  Al  Al34  1  0.942031  0.141649  0.315623  1
  Al  Al35  1  0.813282  0.469403  0.338360  1
  Al  Al36  1  0.038311  0.825005  0.287547  1
  Al  Al37  1  0.166887  0.952752  0.377901  1
  Al  Al38  1  0.034811  0.278600  0.405553  1
  Al  Al39  1  0.281961  0.628466  0.352714  1
  Al  Al40  1  0.426264  0.028552  0.358721  1
  Al  Al41  1  0.305510  0.354824  0.382489  1
  Al  Al42  1  0.182045  0.679099  0.408166  1
  Al  Al43  1  0.475429  0.897215  0.347778  1
  Al  Al44  1  0.357807  0.219857  0.371499  1
  Al  Al45  1  0.232931  0.544622  0.397350  1
  Al  Al46  1  0.325982  0.042422  0.409345  1
  Al  Al47  1  0.567242  0.393295  0.357239  1
  Al  Al48  1  0.445759  0.717916  0.383371  1
  Al  Al49  1  0.843775  0.023610  0.379708  1
  Al  Al50  1  0.702999  0.346277  0.403066  1
  Al  Al51  1  0.953320  0.699714  0.351763  1
  Al  Al52  1  0.040911  0.196289  0.362920  1
  Al  Al53  1  0.914296  0.519576  0.387813  1
  Al  Al54  1  0.793019  0.843734  0.414146  1
  Al  Al55  1  0.892759  0.889012  0.368057  1
  Al  Al56  1  0.754979  0.214999  0.393087  1
  Al  Al57  1  0.631198  0.538299  0.418601  1
  Al  Al58  1  0.097104  0.061077  0.350245  1
  Al  Al59  1  0.965411  0.385546  0.376979  1
  Al  Al60  1  0.843414  0.709688  0.403053  1
  Al  Al61  1  0.640696  0.199076  0.342310  1
  Al  Al62  1  0.519598  0.526207  0.368055  1
  Al  Al63  1  0.397975  0.849815  0.394117  1
  Al  Al64  1  0.581424  0.947587  0.397646  1
  Al  Al65  1  0.822830  0.298676  0.343694  1
  Al  Al66  1  0.701763  0.623631  0.370166  1
  Al  Al67  1  1.002903  0.111455  0.407561  1
  Al  Al68  1  0.239791  0.461431  0.355285  1
  Al  Al69  1  0.114273  0.786299  0.380819  1
  Al  Al70  1  0.576142  0.115365  0.391109  1
  Al  Al71  1  0.448894  0.440585  0.416466  1
  Al  Al72  1  0.692776  0.793140  0.363915  1
  Al  Al73  1  0.787972  0.926090  0.457092  1
  Al  Al74  1  0.665137  0.250951  0.482855  1
  Al  Al75  1  0.911650  0.601962  0.430793  1
  Al  Al76  1  0.062404  0.004221  0.434546  1
  Al  Al77  1  0.939202  0.328063  0.459975  1
  Al  Al78  1  0.814966  0.652243  0.485396  1
  Al  Al79  1  0.113221  0.868100  0.423660  1
  Al  Al80  1  0.991374  0.193468  0.449361  1
  Al  Al81  1  0.866539  0.517131  0.474747  1
  Al  Al82  1  0.956359  0.014834  0.485930  1
  Al  Al83  1  0.202719  0.366057  0.434179  1
  Al  Al84  1  0.079804  0.690064  0.459890  1
  Al  Al85  1  0.457040  0.995246  0.455249  1
  Al  Al86  1  0.334431  0.319662  0.480735  1
  Al  Al87  1  0.581055  0.670716  0.429079  1
  Al  Al88  1  0.670922  0.168730  0.440052  1
  Al  Al89  1  0.545888  0.492489  0.465545  1
  Al  Al90  1  0.423026  0.817052  0.491476  1
  Al  Al91  1  0.508717  0.862776  0.444671  1
  Al  Al92  1  0.385824  0.187079  0.470411  1
  Al  Al93  1  0.260435  0.510646  0.495711  1
  Al  Al94  1  0.722740  0.033364  0.430195  1
  Al  Al95  1  0.597693  0.357862  0.454791  1
  Al  Al96  1  0.474129  0.681875  0.480563  1
  Al  Al97  1  0.278205  0.174912  0.418995  1
  Al  Al98  1  0.151161  0.498865  0.444542  1
  Al  Al99  1  0.027961  0.823260  0.470566  1
  Al  Al100  1  0.209205  0.920913  0.472561  1
  Al  Al101  1  0.455662  0.272527  0.420576  1
  Al  Al102  1  0.331847  0.596382  0.446313  1
  Al  Al103  1  0.626978  0.084003  0.484128  1
  Al  Al104  1  0.870721  0.434841  0.432061  1
  Al  Al105  1  0.749411  0.759294  0.457974  1
  Al  Al106  1  0.205307  0.089380  0.468641  1
  Al  Al107  1  0.080484  0.413208  0.494058  1
  Al  Al108  1  0.327257  0.764769  0.442467  1
  Al  Al109  1  0.417353  0.899433  0.534261  1
  Al  Al110  1  0.296043  0.223886  0.560174  1
  Al  Al111  1  0.539786  0.574724  0.508106  1
  Al  Al112  1  0.692636  0.976852  0.511672  1
  Al  Al113  1  0.569071  0.300865  0.537444  1
  Al  Al114  1  0.444024  0.625363  0.562039  1
  Al  Al115  1  0.743739  0.841675  0.500759  1
  Al  Al116  1  0.620877  0.166238  0.526690  1
  Al  Al117  1  0.495843  0.489997  0.552182  1
  Al  Al118  1  0.585710  0.988011  0.563156  1
  Al  Al119  1  0.832333  0.339065  0.511500  1
  Al  Al120  1  0.709724  0.663481  0.536986  1
  Al  Al121  1  0.086961  0.968663  0.532344  1
  Al  Al122  1  0.964045  0.292670  0.558056  1
  Al  Al123  1  0.210406  0.643893  0.506304  1
  Al  Al124  1  0.300225  0.141596  0.517487  1
  Al  Al125  1  0.175391  0.465259  0.542873  1
  Al  Al126  1  0.053544  0.790627  0.568575  1
  Al  Al127  1  0.138803  0.835467  0.521669  1
  Al  Al128  1  0.015603  0.159862  0.547693  1
  Al  Al129  1  0.888559  0.483815  0.573240  1
  Al  Al130  1  0.351798  0.006484  0.506838  1
  Al  Al131  1  0.227562  0.330665  0.532259  1
  Al  Al132  1  0.104360  0.654506  0.557689  1
  Al  Al133  1  0.906329  0.148082  0.496524  1
  Al  Al134  1  0.780940  0.471648  0.521824  1
  Al  Al135  1  0.658048  0.795952  0.547564  1
  Al  Al136  1  0.839508  0.893958  0.549767  1
  Al  Al137  1  0.086281  0.245519  0.498177  1
  Al  Al138  1  0.961457  0.569347  0.523593  1
  Al  Al139  1  0.255115  0.056765  0.561442  1
  Al  Al140  1  0.501627  0.407777  0.509380  1
  Al  Al141  1  0.378792  0.732637  0.535142  1
  Al  Al142  1  0.834917  0.062345  0.545922  1
  Al  Al143  1  0.711102  0.386200  0.571658  1
  Al  Al144  1  0.957559  0.737814  0.519674  1
  Al  Al145  1  0.052491  0.872429  0.611416  1
  Al  Al146  1  0.926974  0.197296  0.636950  1
  Al  Al147  1  0.163862  0.547272  0.584674  1
  Al  Al148  1  0.323350  0.949039  0.589182  1
  Al  Al149  1  0.201354  0.273181  0.615256  1
  Al  Al150  1  0.069660  0.597650  0.641989  1
  Al  Al151  1  0.373746  0.814993  0.578089  1
  Al  Al152  1  0.252468  0.139151  0.604421  1
  Al  Al153  1  0.125853  0.462438  0.629314  1
  Al  Al154  1  0.213445  0.959013  0.640472  1
  Al  Al155  1  0.463765  0.312450  0.589169  1
  Al  Al156  1  0.322990  0.635118  0.612527  1
  Al  Al157  1  0.721005  0.940811  0.608864  1
  Al  Al158  1  0.599522  0.265432  0.634996  1
  Al  Al159  1  0.840782  0.616305  0.582890  1
  Al  Al160  1  0.933833  0.114105  0.594885  1
  Al  Al161  1  0.808957  0.438871  0.620736  1
  Al  Al162  1  0.691336  0.761512  0.644457  1
  Al  Al163  1  0.768789  0.808912  0.598118  1
  Al  Al164  1  0.647166  0.132520  0.624179  1
  Al  Al165  1  0.526069  0.459651  0.649925  1
  Al  Al166  1  0.984719  0.979629  0.584069  1
  Al  Al167  1  0.861254  0.303903  0.609746  1
  Al  Al168  1  0.740501  0.630175  0.633513  1
  Al  Al169  1  0.535566  0.120428  0.573634  1
  Al  Al170  1  0.411786  0.443728  0.599148  1
  Al  Al171  1  0.274006  0.769715  0.624177  1
  Al  Al172  1  0.473988  0.865587  0.628320  1
  Al  Al173  1  0.717870  0.218142  0.575769  1
  Al  Al174  1  0.590623  0.543362  0.601126  1
  Al  Al175  1  0.884803  0.030261  0.639520  1
  Al  Al176  1  0.131953  0.380128  0.586682  1
  Al  Al177  1  0.999878  0.705976  0.614333  1
  Al  Al178  1  0.465001  0.035097  0.622069  1
  Al  Al179  1  0.343934  0.360051  0.648540  1
  Al  Al180  1  0.585341  0.711140  0.594589  1
  Al  Al181  1  0.693405  0.856071  0.686417  1
  Al  Al182  1  0.561415  0.169683  0.711283  1
  Al  Al183  1  0.805261  0.525594  0.663775  1
  Al  Al184  1  0.955153  0.920127  0.666889  1
  Al  Al185  1  0.826311  0.243710  0.694544  1
  Al  Al186  1  0.709383  0.566367  0.719193  1
  Al  Al187  1  0.999382  0.786189  0.660184  1
  Al  Al188  1  0.882647  0.111738  0.686656  1
  Al  Al189  1  0.756461  0.440533  0.707651  1
  Al  Al190  1  0.856895  0.931239  0.719099  1
  Al  Al191  1  0.092878  0.285161  0.666467  1
  Al  Al192  1  0.988302  0.616084  0.697391  1
  Al  Al193  1  0.352082  0.911798  0.687374  1
  Al  Al194  1  0.220187  0.235863  0.713155  1
  Al  Al195  1  0.473582  0.585889  0.656806  1
  Al  Al196  1  0.565147  0.085603  0.670687  1
  Al  Al197  1  0.427466  0.416449  0.696094  1
  Al  Al198  1  0.375757  0.723526  0.719394  1
  Al  Al199  1  0.407849  0.778254  0.673064  1
  Al  Al200  1  0.273150  0.105953  0.702540  1
  Al  Al201  1  0.139929  0.428802  0.728387  1
  Al  Al202  1  0.614416  0.954612  0.659479  1
  Al  Al203  1  0.485898  0.275014  0.684838  1
  Al  Al204  1  0.350642  0.604210  0.710207  1
  Al  Al205  1  0.156684  0.093981  0.650998  1
  Al  Al206  1  0.043177  0.417984  0.676368  1
  Al  Al207  1  0.742803  0.749475  0.703245  1
  Al  Al208  1  0.128454  0.833722  0.704688  1
  Al  Al209  1  0.353483  0.189324  0.653875  1
  Al  Al210  1  0.224733  0.517078  0.676612  1
  Al  Al211  1  0.518084  1.000332  0.712130  1
  Al  Al212  1  0.763756  0.354044  0.664741  1
  Al  Al213  1  0.625470  0.658712  0.684798  1
  Al  Al214  1  0.101097  0.005994  0.696856  1
  Al  Al215  1  0.960458  0.335515  0.716721  1
  Al  Al216  1  0.232195  0.679730  0.667690  1
  Ni  Ni217  1  0.259705  0.969991  0.328682  1
  Ni  Ni218  1  0.521662  0.319425  0.281573  1
  Ni  Ni219  1  0.373843  0.646601  0.305682  1
  Ni  Ni220  1  0.099545  0.930427  0.288854  1
  Ni  Ni221  1  0.918131  0.317437  0.293176  1
  Ni  Ni222  1  0.811378  0.640479  0.321790  1
  Ni  Ni223  1  0.642820  0.145286  0.299987  1
  Ni  Ni224  1  0.501283  0.474063  0.326528  1
  Ni  Ni225  1  0.705406  0.834608  0.276757  1
  Ni  Ni226  1  0.189402  0.149366  0.287488  1
  Ni  Ni227  1  0.083672  0.476813  0.313612  1
  Ni  Ni228  1  0.960277  0.803252  0.337777  1
  Ni  Ni229  1  0.888717  0.942845  0.410046  1
  Ni  Ni230  1  0.128476  0.294658  0.358041  1
  Ni  Ni231  1  0.006256  0.619046  0.383236  1
  Ni  Ni232  1  0.684562  0.965731  0.350399  1
  Ni  Ni233  1  0.560101  0.289391  0.370370  1
  Ni  Ni234  1  0.436752  0.614380  0.396505  1
  Ni  Ni235  1  0.269546  0.120988  0.376426  1
  Ni  Ni236  1  0.142752  0.445325  0.402323  1
  Ni  Ni237  1  0.380818  0.797545  0.352363  1
  Ni  Ni238  1  0.846273  0.126628  0.365768  1
  Ni  Ni239  1  0.712150  0.449854  0.389368  1
  Ni  Ni240  1  0.590827  0.774178  0.415461  1
  Ni  Ni241  1  0.514086  0.916039  0.487199  1
  Ni  Ni242  1  0.760480  0.267572  0.435572  1
  Ni  Ni243  1  0.636854  0.591417  0.461013  1
  Ni  Ni244  1  0.312876  0.938612  0.422525  1
  Ni  Ni245  1  0.194816  0.262892  0.448180  1
  Ni  Ni246  1  0.069891  0.586942  0.473746  1
  Ni  Ni247  1  0.900290  0.094695  0.454237  1
  Ni  Ni248  1  0.775861  0.418353  0.479373  1
  Ni  Ni249  1  0.021944  0.769378  0.428198  1
  Ni  Ni250  1  0.468518  0.099023  0.441543  1
  Ni  Ni251  1  0.342620  0.422830  0.466647  1
  Ni  Ni252  1  0.219801  0.747201  0.492412  1
  Ni  Ni253  1  0.144820  0.889349  0.564037  1
  Ni  Ni254  1  0.390903  0.240374  0.512862  1
  Ni  Ni255  1  0.266474  0.564032  0.537997  1
  Ni  Ni256  1  0.946963  0.911526  0.499822  1
  Ni  Ni257  1  0.824145  0.235897  0.525587  1
  Ni  Ni258  1  0.698247  0.559705  0.550692  1
  Ni  Ni259  1  0.529910  0.067310  0.531221  1
  Ni  Ni260  1  0.406284  0.391155  0.556663  1
  Ni  Ni261  1  0.652679  0.742689  0.505036  1
  Ni  Ni262  1  0.096874  0.071785  0.518488  1
  Ni  Ni263  1  0.971949  0.395835  0.544054  1
  Ni  Ni264  1  0.853888  0.720115  0.569710  1
  Ni  Ni265  1  0.785946  0.861182  0.639872  1
  Ni  Ni266  1  0.024013  0.213402  0.589912  1
  Ni  Ni267  1  0.897218  0.537739  0.615809  1
  Ni  Ni268  1  0.575937  0.884549  0.576774  1
  Ni  Ni269  1  0.454615  0.208873  0.602867  1
  Ni  Ni270  1  0.320491  0.532099  0.626466  1
  Ni  Ni271  1  0.160508  0.039682  0.608999  1
  Ni  Ni272  1  0.038288  0.364069  0.634194  1
  Ni  Ni273  1  0.278047  0.715882  0.582189  1
  Ni  Ni274  1  0.730012  0.044348  0.595730  1
  Ni  Ni275  1  0.606663  0.369336  0.621865  1
  Ni  Ni276  1  0.482203  0.692996  0.641836  1
  Ni  Ni277  1  0.461359  0.824119  0.715478  1
  Ni  Ni278  1  0.665482  0.184664  0.665707  1
  Ni  Ni279  1  0.523945  0.513441  0.692248  1
  Ni  Ni280  1  0.206487  0.855475  0.654458  1
  Ni  Ni281  1  0.083093  0.181915  0.678623  1
  Ni  Ni282  1  0.977363  0.509361  0.704747  1
  Ni  Ni283  1  0.792921  0.012126  0.686552  1
  Ni  Ni284  1  0.645102  0.339302  0.710662  1
  Ni  Ni285  1  0.907060  0.688737  0.663552  1
  Ni  Ni286  1  0.355387  0.018248  0.670445  1
  Ni  Ni287  1  0.248634  0.341290  0.699059  1
  Ni  Ni288  1  0.067219  0.728300  0.703381  1
