# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43186539
_cell_length_b   20.88235943
_cell_length_c   49.01034825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6582.70361985
_cell_formula_units_Z   48
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  0.017082  0.962406  0.311854  1
  Al  Al2  1  0.008404  0.370337  0.342101  1
  Al  Al3  1  0.193565  0.093104  0.291268  1
  Al  Al4  1  0.201652  0.504439  0.323433  1
  Al  Al5  1  0.173798  0.825899  0.315086  1
  Al  Al6  1  0.175701  0.241699  0.352875  1
  Al  Al7  1  0.335809  0.033634  0.335511  1
  Al  Al8  1  0.326528  0.614663  0.302653  1
  Al  Al9  1  0.670967  0.967157  0.342754  1
  Al  Al10  1  0.695761  0.548676  0.307305  1
  Al  Al11  1  0.856275  0.334172  0.292448  1
  Al  Al12  1  0.832707  0.759246  0.326400  1
  Al  Al13  1  0.694972  0.867782  0.299598  1
  Al  Al14  1  0.673051  0.284246  0.336074  1
  Al  Al15  1  0.796491  0.079612  0.314694  1
  Al  Al16  1  0.834775  0.493082  0.352577  1
  Al  Al17  1  0.304834  0.300401  0.306013  1
  Al  Al18  1  0.320413  0.715885  0.342529  1
  Al  Al19  1  0.516600  0.835946  0.351189  1
  Al  Al20  1  0.539694  0.415413  0.320383  1
  Al  Al21  1  0.980308  0.207821  0.305083  1
  Al  Al22  1  0.988808  0.628170  0.336678  1
  Al  Al23  1  0.471189  0.164203  0.325540  1
  Al  Al24  1  0.488166  0.746281  0.294895  1
  Al  Al25  1  0.024472  0.791229  0.375192  1
  Al  Al26  1  0.019783  0.211921  0.411843  1
  Al  Al27  1  0.199412  0.924918  0.359975  1
  Al  Al28  1  0.182407  0.348265  0.395938  1
  Al  Al29  1  0.188403  0.663342  0.387674  1
  Al  Al30  1  0.180774  0.083920  0.423795  1
  Al  Al31  1  0.332573  0.873682  0.405843  1
  Al  Al32  1  0.326698  0.452905  0.369993  1
  Al  Al33  1  0.688427  0.808936  0.413313  1
  Al  Al34  1  0.676254  0.388188  0.377048  1
  Al  Al35  1  0.818067  0.179301  0.359447  1
  Al  Al36  1  0.832989  0.598165  0.394585  1
  Al  Al37  1  0.682941  0.702743  0.370114  1
  Al  Al38  1  0.686901  0.124307  0.406149  1
  Al  Al39  1  0.826963  0.914247  0.388083  1
  Al  Al40  1  0.822146  0.335226  0.424073  1
  Al  Al41  1  0.322878  0.135794  0.377977  1
  Al  Al42  1  0.326415  0.558709  0.413348  1
  Al  Al43  1  0.521851  0.680978  0.425606  1
  Al  Al44  1  0.511739  0.259449  0.389275  1
  Al  Al45  1  0.988574  0.043765  0.369957  1
  Al  Al46  1  0.992971  0.470523  0.407184  1
  Al  Al47  1  0.492498  1.002009  0.393753  1
  Al  Al48  1  0.497645  0.580675  0.356900  1
  Al  Al49  1  0.019963  0.632830  0.447575  1
  Al  Al50  1  0.019257  0.053653  0.483933  1
  Al  Al51  1  0.186453  0.769211  0.431326  1
  Al  Al52  1  0.184773  0.189902  0.467676  1
  Al  Al53  1  0.182610  0.505149  0.459735  1
  Al  Al54  1  0.183412  0.925742  0.495953  1
  Al  Al55  1  0.328253  0.715321  0.477746  1
  Al  Al56  1  0.327708  0.294591  0.441999  1
  Al  Al57  1  0.684197  0.650547  0.485474  1
  Al  Al58  1  0.683437  0.229627  0.449664  1
  Al  Al59  1  0.828472  0.019121  0.431532  1
  Al  Al60  1  0.826063  0.440233  0.467536  1
  Al  Al61  1  0.687303  0.545360  0.441495  1
  Al  Al62  1  0.685676  0.965669  0.478000  1
  Al  Al63  1  0.827448  0.755067  0.459717  1
  Al  Al64  1  0.826122  0.175966  0.496117  1
  Al  Al65  1  0.327259  0.979594  0.449638  1
  Al  Al66  1  0.325959  0.400464  0.485539  1
  Al  Al67  1  0.519052  0.522635  0.497549  1
  Al  Al68  1  0.518120  0.101637  0.461825  1
  Al  Al69  1  0.994515  0.891381  0.443637  1
  Al  Al70  1  0.991884  0.312193  0.479839  1
  Al  Al71  1  0.493037  0.843180  0.465712  1
  Al  Al72  1  0.490514  0.423009  0.429665  1
  Al  Al73  1  0.019845  0.474428  0.519699  1
  Al  Al74  1  0.017214  0.895240  0.555901  1
  Al  Al75  1  0.185607  0.610654  0.503421  1
  Al  Al76  1  0.184281  0.031553  0.539821  1
  Al  Al77  1  0.185666  0.346388  0.532002  1
  Al  Al78  1  0.183257  0.767500  0.568007  1
  Al  Al79  1  0.328291  0.556994  0.549874  1
  Al  Al80  1  0.327532  0.136074  0.514064  1
  Al  Al81  1  0.684020  0.492030  0.557539  1
  Al  Al82  1  0.683476  0.071300  0.521792  1
  Al  Al83  1  0.828317  0.860879  0.503585  1
  Al  Al84  1  0.829118  0.281472  0.539804  1
  Al  Al85  1  0.685770  0.386156  0.513999  1
  Al  Al86  1  0.684470  0.807027  0.549900  1
  Al  Al87  1  0.826956  0.596719  0.531862  1
  Al  Al88  1  0.825276  0.017410  0.568212  1
  Al  Al89  1  0.326052  0.820951  0.521538  1
  Al  Al90  1  0.324426  0.241261  0.558043  1
  Al  Al91  1  0.521214  0.363612  0.569873  1
  Al  Al92  1  0.518691  0.943441  0.533827  1
  Al  Al93  1  0.992472  0.732967  0.515605  1
  Al  Al94  1  0.991765  0.153791  0.551963  1
  Al  Al95  1  0.493608  0.684983  0.537714  1
  Al  Al96  1  0.492677  0.263986  0.501990  1
  Al  Al97  1  0.018757  0.316098  0.592354  1
  Al  Al98  1  0.023155  0.742856  0.629581  1
  Al  Al99  1  0.189582  0.451394  0.575465  1
  Al  Al100  1  0.184765  0.872374  0.611455  1
  Al  Al101  1  0.178740  0.188456  0.604953  1
  Al  Al102  1  0.193662  0.607320  0.640091  1
  Al  Al103  1  0.335475  0.398433  0.622490  1
  Al  Al104  1  0.323302  0.977685  0.586225  1
  Al  Al105  1  0.685031  0.333715  0.629545  1
  Al  Al106  1  0.679156  0.912938  0.593695  1
  Al  Al107  1  0.830955  0.702700  0.575743  1
  Al  Al108  1  0.823326  0.123278  0.611864  1
  Al  Al109  1  0.685314  0.227912  0.586190  1
  Al  Al110  1  0.688851  0.650827  0.621561  1
  Al  Al111  1  0.829321  0.438356  0.603600  1
  Al  Al112  1  0.812316  0.861703  0.639563  1
  Al  Al113  1  0.324828  0.662314  0.593389  1
  Al  Al114  1  0.328787  0.083878  0.629425  1
  Al  Al115  1  0.514084  0.205946  0.642639  1
  Al  Al116  1  0.519230  0.784612  0.605785  1
  Al  Al117  1  0.991946  0.574700  0.587696  1
  Al  Al118  1  0.987257  0.995392  0.624346  1
  Al  Al119  1  0.499990  0.527172  0.610264  1
  Al  Al120  1  0.489878  0.105643  0.573932  1
  Al  Al121  1  0.022921  0.158451  0.662860  1
  Al  Al122  1  0.031420  0.578800  0.694455  1
  Al  Al123  1  0.176954  0.293539  0.646962  1
  Al  Al124  1  0.215238  0.707008  0.684844  1
  Al  Al125  1  0.179022  0.027375  0.673138  1
  Al  Al126  1  0.155454  0.452449  0.707090  1
  Al  Al127  1  0.315968  0.237945  0.692233  1
  Al  Al128  1  0.340762  0.819464  0.656784  1
  Al  Al129  1  0.685201  0.171958  0.696885  1
  Al  Al130  1  0.675920  0.752987  0.664027  1
  Al  Al131  1  0.836028  0.544922  0.646663  1
  Al  Al132  1  0.837931  0.960722  0.684452  1
  Al  Al133  1  0.691316  0.070736  0.657009  1
  Al  Al134  1  0.706895  0.486219  0.693526  1
  Al  Al135  1  0.810077  0.282182  0.676105  1
  Al  Al136  1  0.818164  0.693516  0.708270  1
  Al  Al137  1  0.338677  0.502374  0.663464  1
  Al  Al138  1  0.316757  0.918839  0.699940  1
  Al  Al139  1  0.523563  0.040339  0.704643  1
  Al  Al140  1  0.540540  0.622418  0.673998  1
  Al  Al141  1  1.003324  0.416284  0.657437  1
  Al  Al142  1  0.994646  0.824215  0.687684  1
  Al  Al143  1  0.472034  0.371208  0.679156  1
  Al  Al144  1  0.495129  0.950675  0.648350  1
  Ni  Ni145  1  0.884659  0.870453  0.342327  1
  Ni  Ni146  1  0.894447  0.446909  0.306141  1
  Ni  Ni147  1  0.381147  0.923828  0.315522  1
  Ni  Ni148  1  0.370073  0.341927  0.352891  1
  Ni  Ni149  1  0.110502  0.127727  0.337047  1
  Ni  Ni150  1  0.113091  0.710834  0.300250  1
  Ni  Ni151  1  0.622012  0.236349  0.290964  1
  Ni  Ni152  1  0.637507  0.659741  0.323170  1
  Ni  Ni153  1  0.885939  0.709211  0.412546  1
  Ni  Ni154  1  0.877969  0.288733  0.377923  1
  Ni  Ni155  1  0.386070  0.763531  0.388413  1
  Ni  Ni156  1  0.382649  0.183088  0.424695  1
  Ni  Ni157  1  0.130843  0.972735  0.406547  1
  Ni  Ni158  1  0.137341  0.552744  0.369855  1
  Ni  Ni159  1  0.632002  0.079303  0.359641  1
  Ni  Ni160  1  0.628241  0.499468  0.394621  1
  Ni  Ni161  1  0.882660  0.551218  0.484757  1
  Ni  Ni162  1  0.882439  0.130206  0.449114  1
  Ni  Ni163  1  0.383916  0.604194  0.460439  1
  Ni  Ni164  1  0.382848  0.024964  0.496826  1
  Ni  Ni165  1  0.129070  0.814621  0.478541  1
  Ni  Ni166  1  0.126911  0.394026  0.442645  1
  Ni  Ni167  1  0.630043  0.919915  0.431031  1
  Ni  Ni168  1  0.627602  0.340734  0.467031  1
  Ni  Ni169  1  0.884817  0.392595  0.556894  1
  Ni  Ni170  1  0.882659  0.972000  0.520998  1
  Ni  Ni171  1  0.384126  0.445887  0.532507  1
  Ni  Ni172  1  0.381686  0.866705  0.568507  1
  Ni  Ni173  1  0.129290  0.656415  0.550424  1
  Ni  Ni174  1  0.129069  0.235402  0.514781  1
  Ni  Ni175  1  0.628881  0.761656  0.502712  1
  Ni  Ni176  1  0.627813  0.182427  0.539099  1
  Ni  Ni177  1  0.874388  0.233877  0.629683  1
  Ni  Ni178  1  0.880886  0.813886  0.592991  1
  Ni  Ni179  1  0.383488  0.287153  0.604917  1
  Ni  Ni180  1  0.379726  0.707318  0.639898  1
  Ni  Ni181  1  0.133760  0.497888  0.621615  1
  Ni  Ni182  1  0.125790  0.077410  0.586992  1
  Ni  Ni183  1  0.629080  0.603532  0.574843  1
  Ni  Ni184  1  0.625659  0.023089  0.611126  1
  Ni  Ni185  1  0.898638  0.075787  0.699288  1
  Ni  Ni186  1  0.901227  0.658894  0.662491  1
  Ni  Ni187  1  0.374221  0.126880  0.676368  1
  Ni  Ni188  1  0.389717  0.550272  0.708574  1
  Ni  Ni189  1  0.117281  0.339712  0.693397  1
  Ni  Ni190  1  0.127070  0.916167  0.657211  1
  Ni  Ni191  1  0.641656  0.444694  0.646647  1
  Ni  Ni192  1  0.630582  0.862793  0.684017  1
