# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49080341
_cell_length_b   15.15186087
_cell_length_c   49.25685428
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.83107696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al162 Ni108'
_cell_volume   7820.07670213
_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  0.273014  0.274279  0.305994  1
  Al  Al2  1  0.235393  0.901514  0.276290  1
  Al  Al3  1  0.291995  0.551996  0.333004  1
  Al  Al4  1  0.606347  0.940946  0.305994  1
  Al  Al5  1  0.568727  0.568181  0.276290  1
  Al  Al6  1  0.939681  0.607613  0.305994  1
  Al  Al7  1  0.625329  0.218663  0.333004  1
  Al  Al8  1  0.902060  0.234848  0.276290  1
  Al  Al9  1  0.958662  0.885330  0.333004  1
  Al  Al10  1  0.507754  0.355294  0.308397  1
  Al  Al11  1  0.415260  0.047098  0.278227  1
  Al  Al12  1  0.517634  0.665047  0.331093  1
  Al  Al13  1  0.841087  0.021961  0.308397  1
  Al  Al14  1  0.748593  0.713764  0.278227  1
  Al  Al15  1  0.174421  0.688628  0.308397  1
  Al  Al16  1  0.850967  0.331714  0.331093  1
  Al  Al17  1  0.081926  0.380431  0.278227  1
  Al  Al18  1  0.184301  0.998380  0.331093  1
  Al  Al19  1  0.409975  0.098183  0.330792  1
  Al  Al20  1  0.390675  0.785301  0.304518  1
  Al  Al21  1  0.334038  0.456163  0.285915  1
  Al  Al22  1  0.743308  0.764849  0.330792  1
  Al  Al23  1  0.724008  0.451967  0.304518  1
  Al  Al24  1  0.076641  0.431516  0.330792  1
  Al  Al25  1  0.667372  0.122830  0.285915  1
  Al  Al26  1  0.057342  0.118634  0.304518  1
  Al  Al27  1  1.000705  0.789496  0.285915  1
  Al  Al28  1  0.334553  0.170081  0.382623  1
  Al  Al29  1  0.316990  0.855434  0.356416  1
  Al  Al30  1  0.359042  0.483801  0.408574  1
  Al  Al31  1  0.667887  0.836748  0.382623  1
  Al  Al32  1  0.650323  0.522100  0.356416  1
  Al  Al33  1  1.001220  0.503414  0.382623  1
  Al  Al34  1  0.692375  0.150467  0.408574  1
  Al  Al35  1  0.983656  0.188767  0.356416  1
  Al  Al36  1  0.025709  0.817134  0.408574  1
  Al  Al37  1  0.559758  0.288440  0.383359  1
  Al  Al38  1  0.531114  0.975599  0.358444  1
  Al  Al39  1  0.580865  0.599349  0.408880  1
  Al  Al40  1  0.893091  0.955107  0.383359  1
  Al  Al41  1  0.864447  0.642266  0.358444  1
  Al  Al42  1  0.226424  0.621774  0.383359  1
  Al  Al43  1  0.914198  0.266016  0.408880  1
  Al  Al44  1  0.197780  0.308932  0.358444  1
  Al  Al45  1  0.247532  0.932682  0.408880  1
  Al  Al46  1  0.469109  0.033164  0.408468  1
  Al  Al47  1  0.449799  0.722763  0.381378  1
  Al  Al48  1  0.420647  0.410027  0.356775  1
  Al  Al49  1  0.802442  0.699831  0.408468  1
  Al  Al50  1  0.783133  0.389430  0.381378  1
  Al  Al51  1  0.135775  0.366497  0.408468  1
  Al  Al52  1  0.753980  0.076694  0.356775  1
  Al  Al53  1  0.116466  0.056096  0.381378  1
  Al  Al54  1  0.087314  0.743361  0.356775  1
  Al  Al55  1  0.402349  0.106187  0.459770  1
  Al  Al56  1  0.379997  0.793329  0.434049  1
  Al  Al57  1  0.424485  0.417642  0.485482  1
  Al  Al58  1  0.735682  0.772854  0.459770  1
  Al  Al59  1  0.713331  0.459995  0.434049  1
  Al  Al60  1  0.069016  0.439520  0.459770  1
  Al  Al61  1  0.757818  0.084309  0.485482  1
  Al  Al62  1  0.046664  0.126662  0.434049  1
  Al  Al63  1  0.091151  0.750975  0.485482  1
  Al  Al64  1  0.624492  0.222322  0.460218  1
  Al  Al65  1  0.602566  0.910569  0.434578  1
  Al  Al66  1  0.646956  0.533743  0.485901  1
  Al  Al67  1  0.957826  0.888988  0.460218  1
  Al  Al68  1  0.935899  0.577236  0.434578  1
  Al  Al69  1  0.291159  0.555655  0.460218  1
  Al  Al70  1  0.980289  0.200410  0.485901  1
  Al  Al71  1  0.269232  0.243903  0.434578  1
  Al  Al72  1  0.313622  0.867077  0.485901  1
  Al  Al73  1  0.535737  0.967854  0.484974  1
  Al  Al74  1  0.513540  0.656266  0.459341  1
  Al  Al75  1  0.491266  0.344967  0.433585  1
  Al  Al76  1  0.869071  0.634521  0.484974  1
  Al  Al77  1  0.846873  0.322932  0.459341  1
  Al  Al78  1  0.202404  0.301187  0.484974  1
  Al  Al79  1  0.824599  0.011634  0.433585  1
  Al  Al80  1  0.180206  0.989599  0.459341  1
  Al  Al81  1  0.157932  0.678300  0.433585  1
  Al  Al82  1  0.468687  0.040186  0.536775  1
  Al  Al83  1  0.446551  0.728731  0.511063  1
  Al  Al84  1  0.491039  0.353044  0.562496  1
  Al  Al85  1  0.802020  0.706853  0.536775  1
  Al  Al86  1  0.779885  0.395397  0.511063  1
  Al  Al87  1  0.135354  0.373519  0.536775  1
  Al  Al88  1  0.824372  0.019711  0.562496  1
  Al  Al89  1  0.113218  0.062064  0.511063  1
  Al  Al90  1  0.157705  0.686378  0.562496  1
  Al  Al91  1  0.690830  0.156774  0.537204  1
  Al  Al92  1  0.668632  0.845186  0.511571  1
  Al  Al93  1  0.713104  0.468073  0.562960  1
  Al  Al94  1  0.024163  0.823440  0.537204  1
  Al  Al95  1  0.001965  0.511852  0.511571  1
  Al  Al96  1  0.357496  0.490107  0.537204  1
  Al  Al97  1  0.046437  0.134739  0.562960  1
  Al  Al98  1  0.335299  0.178519  0.511571  1
  Al  Al99  1  0.379770  0.801406  0.562960  1
  Al  Al100  1  0.601804  0.902470  0.561967  1
  Al  Al101  1  0.579877  0.590718  0.536327  1
  Al  Al102  1  0.557414  0.279296  0.510644  1
  Al  Al103  1  0.935137  0.569137  0.561967  1
  Al  Al104  1  0.913210  0.257384  0.536327  1
  Al  Al105  1  0.268470  0.235803  0.561967  1
  Al  Al106  1  0.890747  0.945963  0.510644  1
  Al  Al107  1  0.246544  0.924051  0.536327  1
  Al  Al108  1  0.224080  0.612630  0.510644  1
  Al  Al109  1  0.536483  0.976292  0.613922  1
  Al  Al110  1  0.511994  0.662572  0.587971  1
  Al  Al111  1  0.554047  0.290939  0.640129  1
  Al  Al112  1  0.869816  0.642958  0.613922  1
  Al  Al113  1  0.845327  0.329239  0.587971  1
  Al  Al114  1  0.203149  0.309625  0.613922  1
  Al  Al115  1  0.887380  0.957606  0.640129  1
  Al  Al116  1  0.178661  0.995906  0.587971  1
  Al  Al117  1  0.220713  0.624273  0.640129  1
  Al  Al118  1  0.754570  0.090277  0.615167  1
  Al  Al119  1  0.735261  0.779876  0.588077  1
  Al  Al120  1  0.783722  0.403012  0.639770  1
  Al  Al121  1  0.087904  0.756943  0.615167  1
  Al  Al122  1  0.068594  0.446542  0.588077  1
  Al  Al123  1  0.421237  0.423610  0.615167  1
  Al  Al124  1  0.117056  0.069679  0.639770  1
  Al  Al125  1  0.401927  0.113209  0.588077  1
  Al  Al126  1  0.450389  0.736345  0.639770  1
  Al  Al127  1  0.673256  0.837440  0.638101  1
  Al  Al128  1  0.644612  0.524599  0.613186  1
  Al  Al129  1  0.623504  0.213690  0.587665  1
  Al  Al130  1  0.006589  0.504107  0.638101  1
  Al  Al131  1  0.977945  0.191266  0.613186  1
  Al  Al132  1  0.339922  0.170774  0.638101  1
  Al  Al133  1  0.956838  0.880357  0.587665  1
  Al  Al134  1  0.311278  0.857933  0.613186  1
  Al  Al135  1  0.290171  0.547024  0.587665  1
  Al  Al136  1  0.598022  0.872094  0.690551  1
  Al  Al137  1  0.579041  0.594376  0.663541  1
  Al  Al138  1  0.635643  0.244859  0.720255  1
  Al  Al139  1  0.931355  0.538760  0.690551  1
  Al  Al140  1  0.912374  0.261043  0.663541  1
  Al  Al141  1  0.264689  0.205427  0.690551  1
  Al  Al142  1  0.968976  0.911525  0.720255  1
  Al  Al143  1  0.245707  0.927710  0.663541  1
  Al  Al144  1  0.302309  0.578192  0.720255  1
  Al  Al145  1  0.813694  0.027739  0.692027  1
  Al  Al146  1  0.794395  0.714857  0.665753  1
  Al  Al147  1  0.870331  0.356877  0.710630  1
  Al  Al148  1  0.147028  0.694405  0.692027  1
  Al  Al149  1  0.127728  0.381523  0.665753  1
  Al  Al150  1  0.480361  0.361072  0.692027  1
  Al  Al151  1  0.203664  0.023543  0.710630  1
  Al  Al152  1  0.461061  0.048190  0.665753  1
  Al  Al153  1  0.536998  0.690210  0.710630  1
  Al  Al154  1  0.789110  0.765942  0.718318  1
  Al  Al155  1  0.696616  0.457745  0.688148  1
  Al  Al156  1  0.686735  0.147992  0.665452  1
  Al  Al157  1  0.122443  0.432608  0.718318  1
  Al  Al158  1  0.029949  0.124412  0.688148  1
  Al  Al159  1  0.455776  0.099275  0.718318  1
  Al  Al160  1  0.020069  0.814659  0.665452  1
  Al  Al161  1  0.363282  0.791078  0.688148  1
  Al  Al162  1  0.353402  0.481326  0.665452  1
  Ni  Ni163  1  0.473061  0.202119  0.294401  1
  Ni  Ni164  1  0.469091  0.887213  0.269726  1
  Ni  Ni165  1  0.503513  0.509089  0.319841  1
  Ni  Ni166  1  0.806394  0.868785  0.294401  1
  Ni  Ni167  1  0.802424  0.553879  0.269726  1
  Ni  Ni168  1  0.139728  0.535452  0.294401  1
  Ni  Ni169  1  0.836847  0.175756  0.319841  1
  Ni  Ni170  1  0.135757  0.220546  0.269726  1
  Ni  Ni171  1  0.170180  0.842422  0.319841  1
  Ni  Ni172  1  0.411878  0.254694  0.344582  1
  Ni  Ni173  1  0.385044  0.940854  0.317150  1
  Ni  Ni174  1  0.367642  0.623881  0.291960  1
  Ni  Ni175  1  0.745211  0.921361  0.344582  1
  Ni  Ni176  1  0.718377  0.607521  0.317150  1
  Ni  Ni177  1  0.078545  0.588027  0.344582  1
  Ni  Ni178  1  0.700975  0.290548  0.291960  1
  Ni  Ni179  1  0.051711  0.274187  0.317150  1
  Ni  Ni180  1  0.034309  0.957215  0.291960  1
  Ni  Ni181  1  0.547052  0.131816  0.371014  1
  Ni  Ni182  1  0.532164  0.824225  0.342645  1
  Ni  Ni183  1  0.570536  0.443154  0.395844  1
  Ni  Ni184  1  0.880386  0.798482  0.371014  1
  Ni  Ni185  1  0.865498  0.490892  0.342645  1
  Ni  Ni186  1  0.213719  0.465149  0.371014  1
  Ni  Ni187  1  0.903869  0.109821  0.395844  1
  Ni  Ni188  1  0.198831  0.157558  0.342645  1
  Ni  Ni189  1  0.237203  0.776488  0.395844  1
  Ni  Ni190  1  0.479594  0.189611  0.420787  1
  Ni  Ni191  1  0.456883  0.877418  0.395363  1
  Ni  Ni192  1  0.439716  0.566919  0.369672  1
  Ni  Ni193  1  0.812928  0.856278  0.420787  1
  Ni  Ni194  1  0.790216  0.544085  0.395363  1
  Ni  Ni195  1  0.146261  0.522945  0.420787  1
  Ni  Ni196  1  0.773050  0.233586  0.369672  1
  Ni  Ni197  1  0.123549  0.210751  0.395363  1
  Ni  Ni198  1  0.106383  0.900253  0.369672  1
  Ni  Ni199  1  0.614365  0.066260  0.447406  1
  Ni  Ni200  1  0.591380  0.754527  0.421659  1
  Ni  Ni201  1  0.635911  0.377526  0.473042  1
  Ni  Ni202  1  0.947698  0.732926  0.447406  1
  Ni  Ni203  1  0.924713  0.421194  0.421659  1
  Ni  Ni204  1  0.281032  0.399593  0.447406  1
  Ni  Ni205  1  0.969245  0.044193  0.473042  1
  Ni  Ni206  1  0.258047  0.087861  0.421659  1
  Ni  Ni207  1  0.302578  0.710860  0.473042  1
  Ni  Ni208  1  0.546045  0.123919  0.497880  1
  Ni  Ni209  1  0.523903  0.812408  0.472177  1
  Ni  Ni210  1  0.502357  0.501009  0.446605  1
  Ni  Ni211  1  0.879378  0.790585  0.497880  1
  Ni  Ni212  1  0.857236  0.479075  0.472177  1
  Ni  Ni213  1  0.212711  0.457252  0.497880  1
  Ni  Ni214  1  0.835691  0.167676  0.446605  1
  Ni  Ni215  1  0.190570  0.145741  0.472177  1
  Ni  Ni216  1  0.169024  0.834343  0.446605  1
  Ni  Ni217  1  0.680466  1.000631  0.524368  1
  Ni  Ni218  1  0.658325  0.689121  0.498665  1
  Ni  Ni219  1  0.702012  0.312030  0.549940  1
  Ni  Ni220  1  0.013800  0.667298  0.524368  1
  Ni  Ni221  1  0.991658  0.355788  0.498665  1
  Ni  Ni222  1  0.347133  0.333965  0.524368  1
  Ni  Ni223  1  0.035345  0.978697  0.549940  1
  Ni  Ni224  1  0.324991  0.022454  0.498665  1
  Ni  Ni225  1  0.368679  0.645363  0.549940  1
  Ni  Ni226  1  0.612989  0.058512  0.574886  1
  Ni  Ni227  1  0.590004  0.746780  0.549139  1
  Ni  Ni228  1  0.568458  0.435513  0.523503  1
  Ni  Ni229  1  0.946323  0.725179  0.574886  1
  Ni  Ni230  1  0.923338  0.413446  0.549139  1
  Ni  Ni231  1  0.279656  0.391845  0.574886  1
  Ni  Ni232  1  0.901792  0.102180  0.523503  1
  Ni  Ni233  1  0.256671  0.080113  0.549139  1
  Ni  Ni234  1  0.235125  0.768846  0.523503  1
  Ni  Ni235  1  0.747487  0.935621  0.601182  1
  Ni  Ni236  1  0.724775  0.623428  0.575758  1
  Ni  Ni237  1  0.764653  0.246120  0.626873  1
  Ni  Ni238  1  0.080820  0.602288  0.601182  1
  Ni  Ni239  1  0.058108  0.290095  0.575758  1
  Ni  Ni240  1  0.414153  0.268955  0.601182  1
  Ni  Ni241  1  0.097986  0.912787  0.626873  1
  Ni  Ni242  1  0.391442  0.956762  0.575758  1
  Ni  Ni243  1  0.431320  0.579453  0.626873  1
  Ni  Ni244  1  0.672205  0.988814  0.653900  1
  Ni  Ni245  1  0.657317  0.681224  0.625531  1
  Ni  Ni246  1  0.633833  0.369885  0.600701  1
  Ni  Ni247  1  0.005538  0.655481  0.653900  1
  Ni  Ni248  1  0.990650  0.347891  0.625531  1
  Ni  Ni249  1  0.338872  0.322148  0.653900  1
  Ni  Ni250  1  0.967167  0.036552  0.600701  1
  Ni  Ni251  1  0.323984  0.014557  0.625531  1
  Ni  Ni252  1  0.300500  0.703218  0.600701  1
  Ni  Ni253  1  0.819325  0.872185  0.679395  1
  Ni  Ni254  1  0.792491  0.558345  0.651963  1
  Ni  Ni255  1  0.836728  0.189158  0.704585  1
  Ni  Ni256  1  0.152659  0.538852  0.679395  1
  Ni  Ni257  1  0.125825  0.225012  0.651963  1
  Ni  Ni258  1  0.485992  0.205519  0.679395  1
  Ni  Ni259  1  0.170061  0.855825  0.704585  1
  Ni  Ni260  1  0.459158  0.891679  0.651963  1
  Ni  Ni261  1  0.503394  0.522491  0.704585  1
  Ni  Ni262  1  0.735279  0.925827  0.726819  1
  Ni  Ni263  1  0.731308  0.610921  0.702144  1
  Ni  Ni264  1  0.700856  0.303950  0.676704  1
  Ni  Ni265  1  0.068612  0.592494  0.726819  1
  Ni  Ni266  1  0.064642  0.277587  0.702144  1
  Ni  Ni267  1  0.401945  0.259160  0.726819  1
  Ni  Ni268  1  0.034189  0.970617  0.676704  1
  Ni  Ni269  1  0.397975  0.944254  0.702144  1
  Ni  Ni270  1  0.367523  0.637284  0.676704  1
