# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52995971
_cell_length_b   15.27746124
_cell_length_c   49.62971783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.83320875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al162 Ni108'
_cell_volume   7974.22571465
_cell_formula_units_Z   54
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  0.285027  0.396720  0.323325  1
  Al  Al2  1  0.262508  0.096601  0.293239  1
  Al  Al3  1  0.232666  0.780501  0.269234  1
  Al  Al4  1  0.622751  0.049786  0.321162  1
  Al  Al5  1  0.594108  0.751087  0.292268  1
  Al  Al6  1  0.952708  0.731293  0.322614  1
  Al  Al7  1  0.639974  0.363346  0.344568  1
  Al  Al8  1  0.927581  0.432193  0.292623  1
  Al  Al9  1  0.919768  0.128997  0.270786  1
  Al  Al10  1  0.506846  0.195504  0.298568  1
  Al  Al11  1  0.466823  0.892536  0.271919  1
  Al  Al12  1  0.506052  0.507062  0.319853  1
  Al  Al13  1  0.810032  0.874199  0.294469  1
  Al  Al14  1  0.004734  0.650838  0.273304  1
  Al  Al15  1  0.162942  0.533666  0.297094  1
  Al  Al16  1  0.837444  0.175922  0.322414  1
  Al  Al17  1  0.316834  0.294116  0.278971  1
  Al  Al18  1  0.171256  0.842469  0.321031  1
  Al  Al19  1  0.413660  0.258492  0.345293  1
  Al  Al20  1  0.390786  0.946239  0.320983  1
  Al  Al21  1  0.376606  0.636106  0.292142  1
  Al  Al22  1  0.752876  0.921677  0.346212  1
  Al  Al23  1  0.734863  0.611652  0.317102  1
  Al  Al24  1  0.081262  0.591441  0.345356  1
  Al  Al25  1  0.718871  0.300631  0.291384  1
  Al  Al26  1  0.065197  0.278102  0.317311  1
  Al  Al27  1  0.045361  0.969256  0.292448  1
  Al  Al28  1  0.348814  0.327735  0.396894  1
  Al  Al29  1  0.326579  0.016905  0.371003  1
  Al  Al30  1  0.307925  0.701582  0.344669  1
  Al  Al31  1  0.683538  0.993833  0.397300  1
  Al  Al32  1  0.660941  0.682180  0.369953  1
  Al  Al33  1  0.016362  0.659975  0.397004  1
  Al  Al34  1  0.705483  0.305047  0.422683  1
  Al  Al35  1  0.991466  0.348012  0.370276  1
  Al  Al36  1  0.971922  0.032981  0.346027  1
  Al  Al37  1  0.549872  0.129338  0.370657  1
  Al  Al38  1  0.527725  0.817827  0.344970  1
  Al  Al39  1  0.573122  0.440771  0.397238  1
  Al  Al40  1  0.883452  0.795187  0.372080  1
  Al  Al41  1  0.857541  0.484862  0.345793  1
  Al  Al42  1  0.214090  0.463266  0.371772  1
  Al  Al43  1  0.905796  0.106961  0.397480  1
  Al  Al44  1  0.194222  0.152570  0.346543  1
  Al  Al45  1  0.240649  0.773844  0.397442  1
  Al  Al46  1  0.484054  0.190882  0.422052  1
  Al  Al47  1  0.461811  0.879262  0.396550  1
  Al  Al48  1  0.440011  0.568724  0.370153  1
  Al  Al49  1  0.816500  0.857222  0.422751  1
  Al  Al50  1  0.794937  0.546425  0.396608  1
  Al  Al51  1  0.149940  0.524440  0.422423  1
  Al  Al52  1  0.772307  0.235350  0.371582  1
  Al  Al53  1  0.127553  0.212955  0.397114  1
  Al  Al54  1  0.107308  0.902392  0.371113  1
  Al  Al55  1  0.416753  0.260526  0.474139  1
  Al  Al56  1  0.394694  0.949434  0.448360  1
  Al  Al57  1  0.372681  0.637249  0.422335  1
  Al  Al58  1  0.749822  0.927578  0.474303  1
  Al  Al59  1  0.727169  0.615964  0.448273  1
  Al  Al60  1  0.083335  0.593931  0.474138  1
  Al  Al61  1  0.772001  0.238602  0.499953  1
  Al  Al62  1  0.061089  0.283266  0.448509  1
  Al  Al63  1  0.039725  0.971317  0.422978  1
  Al  Al64  1  0.615832  0.063128  0.448714  1
  Al  Al65  1  0.593311  0.751556  0.422648  1
  Al  Al66  1  0.637947  0.374302  0.474450  1
  Al  Al67  1  0.949326  0.729453  0.448619  1
  Al  Al68  1  0.926345  0.418535  0.422690  1
  Al  Al69  1  0.282374  0.396528  0.448584  1
  Al  Al70  1  0.971895  0.040982  0.474615  1
  Al  Al71  1  0.260993  0.085227  0.423111  1
  Al  Al72  1  0.305244  0.707598  0.474351  1
  Al  Al73  1  0.550807  0.124764  0.499641  1
  Al  Al74  1  0.528572  0.813358  0.473751  1
  Al  Al75  1  0.506306  0.502290  0.447912  1
  Al  Al76  1  0.883534  0.791139  0.499546  1
  Al  Al77  1  0.861603  0.479960  0.473788  1
  Al  Al78  1  0.217258  0.458062  0.499528  1
  Al  Al79  1  0.839486  0.169030  0.448150  1
  Al  Al80  1  0.194958  0.147003  0.473899  1
  Al  Al81  1  0.172760  0.835626  0.448123  1
  Al  Al82  1  0.483822  0.194126  0.551498  1
  Al  Al83  1  0.461168  0.882580  0.525575  1
  Al  Al84  1  0.438991  0.571603  0.499857  1
  Al  Al85  1  0.816308  0.860682  0.551482  1
  Al  Al86  1  0.794289  0.549719  0.525667  1
  Al  Al87  1  0.150011  0.527141  0.551346  1
  Al  Al88  1  0.838343  0.172772  0.577420  1
  Al  Al89  1  0.127666  0.216159  0.525641  1
  Al  Al90  1  0.105537  0.905084  0.499917  1
  Al  Al91  1  0.682380  0.996710  0.526113  1
  Al  Al92  1  0.660222  0.685384  0.500168  1
  Al  Al93  1  0.704761  0.307909  0.551871  1
  Al  Al94  1  0.016080  0.663212  0.525885  1
  Al  Al95  1  0.993810  0.352157  0.500304  1
  Al  Al96  1  0.349424  0.330243  0.526018  1
  Al  Al97  1  0.038291  0.974486  0.551711  1
  Al  Al98  1  0.327465  0.019012  0.500280  1
  Al  Al99  1  0.371399  0.641208  0.551681  1
  Al  Al100  1  0.617611  0.058556  0.577158  1
  Al  Al101  1  0.595135  0.746986  0.551129  1
  Al  Al102  1  0.572944  0.435939  0.525400  1
  Al  Al103  1  0.950069  0.724942  0.576683  1
  Al  Al104  1  0.928543  0.413753  0.551218  1
  Al  Al105  1  0.284581  0.391793  0.577094  1
  Al  Al106  1  0.905718  0.102533  0.525441  1
  Al  Al107  1  0.261774  0.080642  0.551184  1
  Al  Al108  1  0.239173  0.769185  0.525207  1
  Al  Al109  1  0.550238  0.128041  0.629730  1
  Al  Al110  1  0.527111  0.815863  0.602669  1
  Al  Al111  1  0.505382  0.505777  0.577230  1
  Al  Al112  1  0.884760  0.792733  0.628785  1
  Al  Al113  1  0.861911  0.482562  0.602851  1
  Al  Al114  1  0.219251  0.462045  0.629514  1
  Al  Al115  1  0.903282  0.108903  0.655105  1
  Al  Al116  1  0.194674  0.150226  0.602715  1
  Al  Al117  1  0.171376  0.838623  0.576882  1
  Al  Al118  1  0.749332  0.930884  0.603239  1
  Al  Al119  1  0.727057  0.619392  0.577766  1
  Al  Al120  1  0.771076  0.241567  0.629499  1
  Al  Al121  1  0.083236  0.597383  0.602830  1
  Al  Al122  1  0.061088  0.285797  0.577326  1
  Al  Al123  1  0.416200  0.263877  0.603072  1
  Al  Al124  1  0.103914  0.907474  0.628776  1
  Al  Al125  1  0.394392  0.952704  0.577162  1
  Al  Al126  1  0.437775  0.574810  0.628858  1
  Al  Al127  1  0.683117  0.992316  0.654802  1
  Al  Al128  1  0.660594  0.680818  0.629174  1
  Al  Al129  1  0.637739  0.369633  0.602508  1
  Al  Al130  1  0.018748  0.657843  0.653787  1
  Al  Al131  1  0.996922  0.346983  0.627952  1
  Al  Al132  1  0.353316  0.325354  0.653804  1
  Al  Al133  1  0.970512  0.036220  0.602364  1
  Al  Al134  1  0.327513  0.014888  0.627727  1
  Al  Al135  1  0.305521  0.702902  0.602467  1
  Al  Al136  1  0.616584  0.059961  0.707448  1
  Al  Al137  1  0.589807  0.760626  0.678472  1
  Al  Al138  1  0.571336  0.446130  0.655064  1
  Al  Al139  1  0.948721  0.714930  0.706382  1
  Al  Al140  1  0.926208  0.413476  0.676370  1
  Al  Al141  1  0.283920  0.376958  0.706958  1
  Al  Al142  1  0.977694  0.029224  0.730466  1
  Al  Al143  1  0.258362  0.079506  0.677090  1
  Al  Al144  1  0.238315  0.775821  0.653900  1
  Al  Al145  1  0.820754  0.864091  0.678752  1
  Al  Al146  1  0.797762  0.552017  0.654432  1
  Al  Al147  1  0.834472  0.174092  0.707666  1
  Al  Al148  1  0.145478  0.531596  0.682096  1
  Al  Al149  1  0.129814  0.218804  0.654314  1
  Al  Al150  1  0.476411  0.198586  0.682400  1
  Al  Al151  1  0.166588  0.843280  0.706714  1
  Al  Al152  1  0.457992  0.888275  0.653550  1
  Al  Al153  1  0.496440  0.507734  0.707899  1
  Al  Al154  1  0.742089  0.917780  0.727628  1
  Al  Al155  1  0.705898  0.615106  0.701256  1
  Al  Al156  1  0.705558  0.302896  0.679815  1
  Al  Al157  1  0.892874  0.514478  0.720991  1
  Al  Al158  1  0.047918  0.276463  0.702532  1
  Al  Al159  1  0.206115  0.160223  0.726513  1
  Al  Al160  1  0.039273  0.968453  0.678590  1
  Al  Al161  1  0.401327  0.937697  0.705076  1
  Al  Al162  1  0.372905  0.634226  0.678507  1
  Ni  Ni163  1  0.498123  0.356892  0.305763  1
  Ni  Ni164  1  0.477034  0.046111  0.285343  1
  Ni  Ni165  1  0.521870  0.666527  0.330999  1
  Ni  Ni166  1  0.838987  0.029275  0.306274  1
  Ni  Ni167  1  0.815101  0.722390  0.284936  1
  Ni  Ni168  1  0.163635  0.692502  0.307128  1
  Ni  Ni169  1  0.856149  0.336649  0.330367  1
  Ni  Ni170  1  0.143389  0.385750  0.285241  1
  Ni  Ni171  1  0.184889  0.003996  0.331435  1
  Ni  Ni172  1  0.405842  0.098087  0.331560  1
  Ni  Ni173  1  0.380163  0.787994  0.306705  1
  Ni  Ni174  1  0.357039  0.459349  0.282864  1
  Ni  Ni175  1  0.736423  0.765254  0.330358  1
  Ni  Ni176  1  0.710075  0.449712  0.307287  1
  Ni  Ni177  1  0.067442  0.431042  0.331178  1
  Ni  Ni178  1  0.699291  0.131045  0.283744  1
  Ni  Ni179  1  0.048174  0.118256  0.309521  1
  Ni  Ni180  1  0.017364  0.807747  0.283573  1
  Ni  Ni181  1  0.560747  0.288034  0.384486  1
  Ni  Ni182  1  0.538633  0.974611  0.359708  1
  Ni  Ni183  1  0.585033  0.599744  0.409531  1
  Ni  Ni184  1  0.895715  0.953542  0.385286  1
  Ni  Ni185  1  0.870782  0.641937  0.358830  1
  Ni  Ni186  1  0.228961  0.621832  0.384203  1
  Ni  Ni187  1  0.918198  0.266237  0.410163  1
  Ni  Ni188  1  0.201656  0.308893  0.359311  1
  Ni  Ni189  1  0.251970  0.932898  0.410145  1
  Ni  Ni190  1  0.470893  0.032308  0.409075  1
  Ni  Ni191  1  0.449672  0.720912  0.383153  1
  Ni  Ni192  1  0.434655  0.410724  0.358666  1
  Ni  Ni193  1  0.802597  0.698575  0.409103  1
  Ni  Ni194  1  0.780646  0.388064  0.383319  1
  Ni  Ni195  1  0.135262  0.365649  0.409038  1
  Ni  Ni196  1  0.762945  0.075664  0.358689  1
  Ni  Ni197  1  0.115410  0.054744  0.383975  1
  Ni  Ni198  1  0.100081  0.743637  0.358866  1
  Ni  Ni199  1  0.628707  0.221698  0.461613  1
  Ni  Ni200  1  0.606371  0.910236  0.436033  1
  Ni  Ni201  1  0.651116  0.532856  0.487364  1
  Ni  Ni202  1  0.961924  0.888231  0.461812  1
  Ni  Ni203  1  0.939413  0.576895  0.435984  1
  Ni  Ni204  1  0.295704  0.555138  0.461576  1
  Ni  Ni205  1  0.984162  0.199660  0.487455  1
  Ni  Ni206  1  0.273589  0.243940  0.435977  1
  Ni  Ni207  1  0.317845  0.866440  0.487365  1
  Ni  Ni208  1  0.537659  0.966020  0.486657  1
  Ni  Ni209  1  0.515227  0.654795  0.460759  1
  Ni  Ni210  1  0.493013  0.343434  0.435031  1
  Ni  Ni211  1  0.870769  0.632487  0.486538  1
  Ni  Ni212  1  0.848807  0.321596  0.460902  1
  Ni  Ni213  1  0.204718  0.299536  0.486679  1
  Ni  Ni214  1  0.827326  0.010111  0.435349  1
  Ni  Ni215  1  0.182951  0.988258  0.461071  1
  Ni  Ni216  1  0.160619  0.676965  0.435109  1
  Ni  Ni217  1  0.695743  0.155353  0.539034  1
  Ni  Ni218  1  0.673298  0.844064  0.513195  1
  Ni  Ni219  1  0.717667  0.466877  0.564744  1
  Ni  Ni220  1  0.028126  0.821912  0.538759  1
  Ni  Ni221  1  0.006391  0.510687  0.513145  1
  Ni  Ni222  1  0.362282  0.488666  0.538938  1
  Ni  Ni223  1  0.050378  0.133187  0.564663  1
  Ni  Ni224  1  0.340225  0.177701  0.513249  1
  Ni  Ni225  1  0.383731  0.799891  0.564533  1
  Ni  Ni226  1  0.604480  0.899698  0.563896  1
  Ni  Ni227  1  0.582289  0.588518  0.538198  1
  Ni  Ni228  1  0.559874  0.277331  0.512446  1
  Ni  Ni229  1  0.937538  0.566351  0.563832  1
  Ni  Ni230  1  0.915329  0.255036  0.538216  1
  Ni  Ni231  1  0.271598  0.233323  0.563764  1
  Ni  Ni232  1  0.893223  0.943694  0.512480  1
  Ni  Ni233  1  0.249074  0.921876  0.538051  1
  Ni  Ni234  1  0.226817  0.610551  0.512344  1
  Ni  Ni235  1  0.761551  0.089226  0.616639  1
  Ni  Ni236  1  0.739981  0.777849  0.590778  1
  Ni  Ni237  1  0.776717  0.399572  0.641055  1
  Ni  Ni238  1  0.095717  0.755187  0.615883  1
  Ni  Ni239  1  0.075577  0.444720  0.590747  1
  Ni  Ni240  1  0.430129  0.422484  0.616429  1
  Ni  Ni241  1  0.111085  0.066589  0.640832  1
  Ni  Ni242  1  0.408345  0.111552  0.590677  1
  Ni  Ni243  1  0.447266  0.733937  0.641572  1
  Ni  Ni244  1  0.672988  0.835731  0.640008  1
  Ni  Ni245  1  0.649868  0.522449  0.615366  1
  Ni  Ni246  1  0.626054  0.210530  0.590189  1
  Ni  Ni247  1  0.009071  0.501498  0.640403  1
  Ni  Ni248  1  0.982101  0.188352  0.615514  1
  Ni  Ni249  1  0.340349  0.168301  0.640788  1
  Ni  Ni250  1  0.959181  0.877188  0.589708  1
  Ni  Ni251  1  0.314868  0.856135  0.614702  1
  Ni  Ni252  1  0.292876  0.544018  0.589769  1
  Ni  Ni253  1  0.830305  0.022346  0.693011  1
  Ni  Ni254  1  0.805846  0.712160  0.668152  1
  Ni  Ni255  1  0.854129  0.350218  0.716790  1
  Ni  Ni256  1  0.167578  0.692405  0.691934  1
  Ni  Ni257  1  0.143726  0.378870  0.668544  1
  Ni  Ni258  1  0.501099  0.359280  0.692223  1
  Ni  Ni259  1  0.193304  0.003804  0.716094  1
  Ni  Ni260  1  0.474562  0.045119  0.669266  1
  Ni  Ni261  1  0.512267  0.679946  0.715808  1
  Ni  Ni262  1  0.734412  0.764373  0.714389  1
  Ni  Ni263  1  0.713732  0.453164  0.693720  1
  Ni  Ni264  1  0.689458  0.143699  0.668661  1
  Ni  Ni265  1  0.067943  0.424230  0.714308  1
  Ni  Ni266  1  0.047469  0.117887  0.692719  1
  Ni  Ni267  1  0.395724  0.089086  0.714805  1
  Ni  Ni268  1  0.026485  0.806687  0.668294  1
  Ni  Ni269  1  0.373750  0.782391  0.693064  1
  Ni  Ni270  1  0.355213  0.473481  0.669411  1
