# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49078273
_cell_length_b   15.15165161
_cell_length_c   49.25436401
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.83107692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al162 Ni108'
_cell_volume   7819.55793574
_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  0.273017  0.274283  0.306008  1
  Al  Al2  1  0.235397  0.901516  0.276302  1
  Al  Al3  1  0.291999  0.552000  0.333019  1
  Al  Al4  1  0.606350  0.940950  0.306008  1
  Al  Al5  1  0.568730  0.568183  0.276302  1
  Al  Al6  1  0.939684  0.607617  0.306008  1
  Al  Al7  1  0.625332  0.218667  0.333019  1
  Al  Al8  1  0.902064  0.234849  0.276302  1
  Al  Al9  1  0.958666  0.885334  0.333019  1
  Al  Al10  1  0.507757  0.355299  0.308411  1
  Al  Al11  1  0.415261  0.047102  0.278239  1
  Al  Al12  1  0.517637  0.665051  0.331108  1
  Al  Al13  1  0.841091  0.021965  0.308411  1
  Al  Al14  1  0.748594  0.713769  0.278239  1
  Al  Al15  1  0.174424  0.688632  0.308411  1
  Al  Al16  1  0.850970  0.331718  0.331108  1
  Al  Al17  1  0.081928  0.380435  0.278239  1
  Al  Al18  1  0.184304  0.998384  0.331108  1
  Al  Al19  1  0.409978  0.098187  0.330807  1
  Al  Al20  1  0.390680  0.785305  0.304532  1
  Al  Al21  1  0.334041  0.456166  0.285927  1
  Al  Al22  1  0.743311  0.764854  0.330807  1
  Al  Al23  1  0.724013  0.451971  0.304532  1
  Al  Al24  1  0.076645  0.431520  0.330807  1
  Al  Al25  1  0.667375  0.122833  0.285927  1
  Al  Al26  1  0.057346  0.118638  0.304532  1
  Al  Al27  1  1.000708  0.789500  0.285927  1
  Al  Al28  1  0.334556  0.170086  0.382641  1
  Al  Al29  1  0.316993  0.855438  0.356433  1
  Al  Al30  1  0.359044  0.483806  0.408593  1
  Al  Al31  1  0.667890  0.836753  0.382641  1
  Al  Al32  1  0.650326  0.522105  0.356433  1
  Al  Al33  1  1.001223  0.503419  0.382641  1
  Al  Al34  1  0.692378  0.150472  0.408593  1
  Al  Al35  1  0.983659  0.188771  0.356433  1
  Al  Al36  1  0.025711  0.817139  0.408593  1
  Al  Al37  1  0.559761  0.288445  0.383377  1
  Al  Al38  1  0.531117  0.975604  0.358461  1
  Al  Al39  1  0.580867  0.599355  0.408900  1
  Al  Al40  1  0.893094  0.955112  0.383377  1
  Al  Al41  1  0.864450  0.642270  0.358461  1
  Al  Al42  1  0.226427  0.621778  0.383377  1
  Al  Al43  1  0.914200  0.266021  0.408900  1
  Al  Al44  1  0.197783  0.308937  0.358461  1
  Al  Al45  1  0.247534  0.932688  0.408900  1
  Al  Al46  1  0.469112  0.033169  0.408488  1
  Al  Al47  1  0.449802  0.722768  0.381397  1
  Al  Al48  1  0.420651  0.410032  0.356792  1
  Al  Al49  1  0.802445  0.699836  0.408488  1
  Al  Al50  1  0.783136  0.389434  0.381397  1
  Al  Al51  1  0.135778  0.366503  0.408488  1
  Al  Al52  1  0.753984  0.076698  0.356792  1
  Al  Al53  1  0.116469  0.056101  0.381397  1
  Al  Al54  1  0.087318  0.743365  0.356792  1
  Al  Al55  1  0.402351  0.106193  0.459793  1
  Al  Al56  1  0.380000  0.793335  0.434070  1
  Al  Al57  1  0.424486  0.417649  0.485507  1
  Al  Al58  1  0.735684  0.772860  0.459793  1
  Al  Al59  1  0.713333  0.460001  0.434070  1
  Al  Al60  1  0.069018  0.439526  0.459793  1
  Al  Al61  1  0.757820  0.084315  0.485507  1
  Al  Al62  1  0.046667  0.126668  0.434070  1
  Al  Al63  1  0.091153  0.750982  0.485507  1
  Al  Al64  1  0.624494  0.222328  0.460241  1
  Al  Al65  1  0.602568  0.910575  0.434599  1
  Al  Al66  1  0.646957  0.533750  0.485925  1
  Al  Al67  1  0.957827  0.888995  0.460241  1
  Al  Al68  1  0.935901  0.577242  0.434599  1
  Al  Al69  1  0.291161  0.555661  0.460241  1
  Al  Al70  1  0.980290  0.200417  0.485925  1
  Al  Al71  1  0.269234  0.243909  0.434599  1
  Al  Al72  1  0.313624  0.867083  0.485925  1
  Al  Al73  1  0.535739  0.967861  0.484999  1
  Al  Al74  1  0.513542  0.656272  0.459364  1
  Al  Al75  1  0.491268  0.344973  0.433606  1
  Al  Al76  1  0.869073  0.634527  0.484999  1
  Al  Al77  1  0.846875  0.322939  0.459364  1
  Al  Al78  1  0.202406  0.301194  0.484999  1
  Al  Al79  1  0.824602  0.011639  0.433606  1
  Al  Al80  1  0.180209  0.989605  0.459364  1
  Al  Al81  1  0.157935  0.678306  0.433606  1
  Al  Al82  1  0.468688  0.040194  0.536802  1
  Al  Al83  1  0.446553  0.728738  0.511089  1
  Al  Al84  1  0.491039  0.353052  0.562525  1
  Al  Al85  1  0.802021  0.706860  0.536802  1
  Al  Al86  1  0.779886  0.395405  0.511089  1
  Al  Al87  1  0.135355  0.373527  0.536802  1
  Al  Al88  1  0.824372  0.019719  0.562525  1
  Al  Al89  1  0.113219  0.062071  0.511089  1
  Al  Al90  1  0.157706  0.686385  0.562525  1
  Al  Al91  1  0.690830  0.156781  0.537231  1
  Al  Al92  1  0.668633  0.845193  0.511597  1
  Al  Al93  1  0.713104  0.468081  0.562989  1
  Al  Al94  1  0.024164  0.823448  0.537231  1
  Al  Al95  1  0.001966  0.511859  0.511597  1
  Al  Al96  1  0.357497  0.490115  0.537231  1
  Al  Al97  1  0.046437  0.134747  0.562989  1
  Al  Al98  1  0.335300  0.178526  0.511597  1
  Al  Al99  1  0.379771  0.801414  0.562989  1
  Al  Al100  1  0.601805  0.902478  0.561996  1
  Al  Al101  1  0.579878  0.590725  0.536355  1
  Al  Al102  1  0.557415  0.279303  0.510670  1
  Al  Al103  1  0.935138  0.569145  0.561996  1
  Al  Al104  1  0.913212  0.257392  0.536355  1
  Al  Al105  1  0.268471  0.235812  0.561996  1
  Al  Al106  1  0.890749  0.945970  0.510670  1
  Al  Al107  1  0.246545  0.924059  0.536355  1
  Al  Al108  1  0.224082  0.612637  0.510670  1
  Al  Al109  1  0.536483  0.976301  0.613954  1
  Al  Al110  1  0.511995  0.662581  0.588002  1
  Al  Al111  1  0.554046  0.290949  0.640162  1
  Al  Al112  1  0.869816  0.642967  0.613954  1
  Al  Al113  1  0.845328  0.329248  0.588002  1
  Al  Al114  1  0.203149  0.309634  0.613954  1
  Al  Al115  1  0.887380  0.957615  0.640162  1
  Al  Al116  1  0.178661  0.995914  0.588002  1
  Al  Al117  1  0.220713  0.624282  0.640162  1
  Al  Al118  1  0.754570  0.090286  0.615199  1
  Al  Al119  1  0.735261  0.779884  0.588108  1
  Al  Al120  1  0.783721  0.403022  0.639803  1
  Al  Al121  1  0.087903  0.756952  0.615199  1
  Al  Al122  1  0.068594  0.446551  0.588108  1
  Al  Al123  1  0.421237  0.423619  0.615199  1
  Al  Al124  1  0.117055  0.069688  0.639803  1
  Al  Al125  1  0.401927  0.113217  0.588108  1
  Al  Al126  1  0.450388  0.736355  0.639803  1
  Al  Al127  1  0.673256  0.837450  0.638134  1
  Al  Al128  1  0.644612  0.524608  0.613218  1
  Al  Al129  1  0.623505  0.213699  0.587695  1
  Al  Al130  1  0.006589  0.504116  0.638134  1
  Al  Al131  1  0.977945  0.191275  0.613218  1
  Al  Al132  1  0.339922  0.170783  0.638134  1
  Al  Al133  1  0.956839  0.880365  0.587695  1
  Al  Al134  1  0.311278  0.857942  0.613218  1
  Al  Al135  1  0.290172  0.547032  0.587695  1
  Al  Al136  1  0.598022  0.872103  0.690587  1
  Al  Al137  1  0.579040  0.594386  0.663576  1
  Al  Al138  1  0.635642  0.244871  0.720293  1
  Al  Al139  1  0.931355  0.538770  0.690587  1
  Al  Al140  1  0.912373  0.261053  0.663576  1
  Al  Al141  1  0.264689  0.205437  0.690587  1
  Al  Al142  1  0.968975  0.911537  0.720293  1
  Al  Al143  1  0.245707  0.927720  0.663576  1
  Al  Al144  1  0.302309  0.578204  0.720293  1
  Al  Al145  1  0.813693  0.027749  0.692063  1
  Al  Al146  1  0.794394  0.714866  0.665788  1
  Al  Al147  1  0.870331  0.356887  0.710668  1
  Al  Al148  1  0.147026  0.694415  0.692063  1
  Al  Al149  1  0.127728  0.381533  0.665788  1
  Al  Al150  1  0.480359  0.361082  0.692063  1
  Al  Al151  1  0.203664  0.023554  0.710668  1
  Al  Al152  1  0.461061  0.048200  0.665788  1
  Al  Al153  1  0.536998  0.690220  0.710668  1
  Al  Al154  1  0.789111  0.765951  0.718356  1
  Al  Al155  1  0.696615  0.457755  0.688185  1
  Al  Al156  1  0.686735  0.148002  0.665487  1
  Al  Al157  1  0.122445  0.432618  0.718356  1
  Al  Al158  1  0.029948  0.124421  0.688185  1
  Al  Al159  1  0.455778  0.099285  0.718356  1
  Al  Al160  1  0.020069  0.814669  0.665487  1
  Al  Al161  1  0.363282  0.791088  0.688185  1
  Al  Al162  1  0.353402  0.481336  0.665487  1
  Ni  Ni163  1  0.473065  0.202123  0.294414  1
  Ni  Ni164  1  0.469096  0.887216  0.269738  1
  Ni  Ni165  1  0.503517  0.509093  0.319856  1
  Ni  Ni166  1  0.806398  0.868790  0.294414  1
  Ni  Ni167  1  0.802429  0.553883  0.269738  1
  Ni  Ni168  1  0.139731  0.535456  0.294414  1
  Ni  Ni169  1  0.836850  0.175760  0.319856  1
  Ni  Ni170  1  0.135762  0.220549  0.269738  1
  Ni  Ni171  1  0.170183  0.842426  0.319856  1
  Ni  Ni172  1  0.411882  0.254698  0.344598  1
  Ni  Ni173  1  0.385047  0.940858  0.317165  1
  Ni  Ni174  1  0.367646  0.623885  0.291973  1
  Ni  Ni175  1  0.745215  0.921365  0.344598  1
  Ni  Ni176  1  0.718381  0.607525  0.317165  1
  Ni  Ni177  1  0.078548  0.588032  0.344598  1
  Ni  Ni178  1  0.700979  0.290552  0.291973  1
  Ni  Ni179  1  0.051714  0.274191  0.317165  1
  Ni  Ni180  1  0.034313  0.957219  0.291973  1
  Ni  Ni181  1  0.547056  0.131820  0.371032  1
  Ni  Ni182  1  0.532168  0.824229  0.342661  1
  Ni  Ni183  1  0.570539  0.443159  0.395863  1
  Ni  Ni184  1  0.880389  0.798487  0.371032  1
  Ni  Ni185  1  0.865501  0.490896  0.342661  1
  Ni  Ni186  1  0.213722  0.465153  0.371032  1
  Ni  Ni187  1  0.903873  0.109826  0.395863  1
  Ni  Ni188  1  0.198834  0.157563  0.342661  1
  Ni  Ni189  1  0.237206  0.776493  0.395863  1
  Ni  Ni190  1  0.479597  0.189617  0.420807  1
  Ni  Ni191  1  0.456885  0.877423  0.395383  1
  Ni  Ni192  1  0.439719  0.566924  0.369689  1
  Ni  Ni193  1  0.812930  0.856284  0.420807  1
  Ni  Ni194  1  0.790219  0.544090  0.395383  1
  Ni  Ni195  1  0.146263  0.522950  0.420807  1
  Ni  Ni196  1  0.773052  0.233591  0.369689  1
  Ni  Ni197  1  0.123552  0.210757  0.395383  1
  Ni  Ni198  1  0.106386  0.900257  0.369689  1
  Ni  Ni199  1  0.614367  0.066266  0.447428  1
  Ni  Ni200  1  0.591383  0.754533  0.421680  1
  Ni  Ni201  1  0.635913  0.377533  0.473066  1
  Ni  Ni202  1  0.947701  0.732932  0.447428  1
  Ni  Ni203  1  0.924716  0.421200  0.421680  1
  Ni  Ni204  1  0.281034  0.399599  0.447428  1
  Ni  Ni205  1  0.969246  0.044200  0.473066  1
  Ni  Ni206  1  0.258049  0.087866  0.421680  1
  Ni  Ni207  1  0.302580  0.710866  0.473066  1
  Ni  Ni208  1  0.546046  0.123926  0.497905  1
  Ni  Ni209  1  0.523905  0.812415  0.472200  1
  Ni  Ni210  1  0.502359  0.501015  0.446627  1
  Ni  Ni211  1  0.879379  0.790592  0.497905  1
  Ni  Ni212  1  0.857238  0.479081  0.472200  1
  Ni  Ni213  1  0.212713  0.457259  0.497905  1
  Ni  Ni214  1  0.835693  0.167682  0.446627  1
  Ni  Ni215  1  0.190571  0.145748  0.472200  1
  Ni  Ni216  1  0.169026  0.834349  0.446627  1
  Ni  Ni217  1  0.680468  1.000639  0.524395  1
  Ni  Ni218  1  0.658326  0.689128  0.498690  1
  Ni  Ni219  1  0.702013  0.312038  0.549969  1
  Ni  Ni220  1  0.013801  0.667305  0.524395  1
  Ni  Ni221  1  0.991660  0.355795  0.498690  1
  Ni  Ni222  1  0.347134  0.333972  0.524395  1
  Ni  Ni223  1  0.035346  0.978705  0.549969  1
  Ni  Ni224  1  0.324993  0.022461  0.498690  1
  Ni  Ni225  1  0.368680  0.645371  0.549969  1
  Ni  Ni226  1  0.612990  0.058520  0.574916  1
  Ni  Ni227  1  0.590005  0.746788  0.549167  1
  Ni  Ni228  1  0.568459  0.435521  0.523529  1
  Ni  Ni229  1  0.946323  0.725187  0.574916  1
  Ni  Ni230  1  0.923338  0.413454  0.549167  1
  Ni  Ni231  1  0.279656  0.391854  0.574916  1
  Ni  Ni232  1  0.901793  0.102187  0.523529  1
  Ni  Ni233  1  0.256672  0.080121  0.549167  1
  Ni  Ni234  1  0.235126  0.768854  0.523529  1
  Ni  Ni235  1  0.747487  0.935630  0.601213  1
  Ni  Ni236  1  0.724776  0.623437  0.575788  1
  Ni  Ni237  1  0.764653  0.246129  0.626906  1
  Ni  Ni238  1  0.080820  0.602297  0.601213  1
  Ni  Ni239  1  0.058109  0.290103  0.575788  1
  Ni  Ni240  1  0.414154  0.268963  0.601213  1
  Ni  Ni241  1  0.097987  0.912796  0.626906  1
  Ni  Ni242  1  0.391442  0.956770  0.575788  1
  Ni  Ni243  1  0.431320  0.579463  0.626906  1
  Ni  Ni244  1  0.672205  0.988824  0.653934  1
  Ni  Ni245  1  0.657317  0.681233  0.625563  1
  Ni  Ni246  1  0.633833  0.369894  0.600732  1
  Ni  Ni247  1  0.005538  0.655491  0.653934  1
  Ni  Ni248  1  0.990650  0.347900  0.625563  1
  Ni  Ni249  1  0.338871  0.322158  0.653934  1
  Ni  Ni250  1  0.967166  0.036561  0.600732  1
  Ni  Ni251  1  0.323983  0.014567  0.625563  1
  Ni  Ni252  1  0.300500  0.703227  0.600732  1
  Ni  Ni253  1  0.819325  0.872195  0.679431  1
  Ni  Ni254  1  0.792491  0.558355  0.651997  1
  Ni  Ni255  1  0.836726  0.189168  0.704623  1
  Ni  Ni256  1  0.152658  0.538862  0.679431  1
  Ni  Ni257  1  0.125824  0.225022  0.651997  1
  Ni  Ni258  1  0.485992  0.205529  0.679431  1
  Ni  Ni259  1  0.170060  0.855835  0.704623  1
  Ni  Ni260  1  0.459157  0.891688  0.651997  1
  Ni  Ni261  1  0.503393  0.522502  0.704623  1
  Ni  Ni262  1  0.735277  0.925838  0.726857  1
  Ni  Ni263  1  0.731308  0.610931  0.702181  1
  Ni  Ni264  1  0.700856  0.303960  0.676740  1
  Ni  Ni265  1  0.068610  0.592504  0.726857  1
  Ni  Ni266  1  0.064641  0.277597  0.702181  1
  Ni  Ni267  1  0.401943  0.259171  0.726857  1
  Ni  Ni268  1  0.034189  0.970627  0.676740  1
  Ni  Ni269  1  0.397974  0.944264  0.702181  1
  Ni  Ni270  1  0.367522  0.637294  0.676740  1
