# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06554321
_cell_length_b   12.50720589
_cell_length_c   55.48180031
_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   'Al96 Ni32'
_cell_volume   4209.01569241
_cell_formula_units_Z   32
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  0.026479  0.627150  0.376634  1
  Al  Al2  1  0.016521  0.934977  0.322493  1
  Al  Al3  1  0.212508  0.192287  0.317306  1
  Al  Al4  1  0.188727  0.875384  0.370553  1
  Al  Al5  1  0.196751  0.407048  0.378987  1
  Al  Al6  1  0.194265  0.713669  0.323551  1
  Al  Al7  1  0.325522  0.367672  0.291439  1
  Al  Al8  1  0.329953  0.059856  0.351903  1
  Al  Al9  1  0.686072  0.241278  0.301902  1
  Al  Al10  1  0.693158  0.941229  0.358089  1
  Al  Al11  1  0.821619  0.593238  0.329790  1
  Al  Al12  1  0.859299  0.903297  0.275709  1
  Al  Al13  1  0.696859  0.470379  0.366794  1
  Al  Al14  1  0.680292  0.782732  0.312481  1
  Al  Al15  1  0.834349  0.436046  0.283894  1
  Al  Al16  1  0.842345  0.127485  0.339598  1
  Al  Al17  1  0.335827  0.529718  0.342834  1
  Al  Al18  1  0.316851  0.848002  0.286459  1
  Al  Al19  1  0.521214  0.719613  0.360393  1
  Al  Al20  1  0.564204  0.019231  0.306834  1
  Al  Al21  1  0.990543  0.370511  0.332070  1
  Al  Al22  1  0.960505  0.670440  0.281126  1
  Al  Al23  1  0.511929  0.281504  0.349277  1
  Al  Al24  1  0.493401  0.593022  0.292947  1
  Al  Al25  1  0.024874  0.012807  0.488463  1
  Al  Al26  1  0.026356  0.320980  0.432777  1
  Al  Al27  1  0.196045  0.568612  0.425868  1
  Al  Al28  1  0.195917  0.261412  0.481574  1
  Al  Al29  1  0.194937  0.791649  0.490261  1
  Al  Al30  1  0.194671  0.099204  0.434679  1
  Al  Al31  1  0.332832  0.752806  0.406799  1
  Al  Al32  1  0.333486  0.445542  0.462424  1
  Al  Al33  1  0.695991  0.633223  0.414292  1
  Al  Al34  1  0.695894  0.325768  0.469960  1
  Al  Al35  1  0.831686  0.979387  0.442192  1
  Al  Al36  1  0.833075  0.287353  0.386470  1
  Al  Al37  1  0.695077  0.855951  0.478632  1
  Al  Al38  1  0.697773  0.163480  0.422978  1
  Al  Al39  1  0.827467  0.817270  0.395002  1
  Al  Al40  1  0.832511  0.509798  0.450711  1
  Al  Al41  1  0.331223  0.914988  0.453775  1
  Al  Al42  1  0.335862  0.222888  0.398371  1
  Al  Al43  1  0.525407  0.104313  0.471783  1
  Al  Al44  1  0.526887  0.412095  0.416148  1
  Al  Al45  1  1.001513  0.757816  0.443932  1
  Al  Al46  1  1.002855  0.066102  0.388481  1
  Al  Al47  1  0.502731  0.666686  0.460588  1
  Al  Al48  1  0.500041  0.974499  0.404792  1
  Al  Al49  1  0.025158  0.397486  0.599535  1
  Al  Al50  1  0.026499  0.705771  0.544085  1
  Al  Al51  1  0.195502  0.953790  0.537305  1
  Al  Al52  1  0.200546  0.646318  0.593014  1
  Al  Al53  1  0.194937  0.176235  0.601546  1
  Al  Al54  1  0.196327  0.484201  0.545825  1
  Al  Al55  1  0.332119  0.137819  0.518056  1
  Al  Al56  1  0.332021  0.830365  0.573725  1
  Al  Al57  1  0.694527  0.018046  0.525593  1
  Al  Al58  1  0.695181  0.710782  0.581218  1
  Al  Al59  1  0.833342  0.364383  0.553337  1
  Al  Al60  1  0.833076  0.671939  0.497755  1
  Al  Al61  1  0.692150  0.240700  0.589645  1
  Al  Al62  1  0.696790  0.548600  0.534242  1
  Al  Al63  1  0.832095  0.202176  0.506442  1
  Al  Al64  1  0.831968  0.894976  0.562149  1
  Al  Al65  1  0.330240  0.300107  0.565039  1
  Al  Al66  1  0.332936  0.607637  0.509384  1
  Al  Al67  1  0.527971  0.489088  0.583224  1
  Al  Al68  1  0.525282  0.796902  0.527428  1
  Al  Al69  1  1.001657  0.142608  0.555240  1
  Al  Al70  1  1.003139  0.450780  0.499554  1
  Al  Al71  1  0.501126  0.051493  0.571868  1
  Al  Al72  1  0.502606  0.359274  0.516233  1
  Al  Al73  1  0.067508  0.793148  0.706891  1
  Al  Al74  1  0.037470  0.093077  0.655946  1
  Al  Al75  1  0.185668  0.336103  0.648419  1
  Al  Al76  1  0.193664  0.027542  0.704123  1
  Al  Al77  1  0.168714  0.560290  0.712308  1
  Al  Al78  1  0.206394  0.870350  0.658226  1
  Al  Al79  1  0.334854  0.522359  0.629927  1
  Al  Al80  1  0.341941  0.222310  0.686115  1
  Al  Al81  1  0.698059  0.403732  0.636114  1
  Al  Al82  1  0.702491  0.095916  0.696578  1
  Al  Al83  1  0.833748  0.749919  0.664466  1
  Al  Al84  1  0.831262  0.056540  0.609029  1
  Al  Al85  1  0.711162  0.615585  0.701557  1
  Al  Al86  1  0.692186  0.933869  0.645182  1
  Al  Al87  1  0.839286  0.588204  0.617463  1
  Al  Al88  1  0.815505  0.271301  0.670710  1
  Al  Al89  1  0.347720  0.680856  0.675536  1
  Al  Al90  1  0.331154  0.993209  0.621223  1
  Al  Al91  1  0.534612  0.870566  0.695070  1
  Al  Al92  1  0.516084  0.182083  0.638740  1
  Al  Al93  1  1.011492  0.528611  0.665524  1
  Al  Al94  1  1.001533  0.836437  0.611383  1
  Al  Al95  1  0.463809  0.444357  0.681182  1
  Al  Al96  1  0.506799  0.743974  0.627624  1
  Ni  Ni97  1  0.949855  0.086707  0.293783  1
  Ni  Ni98  1  0.897234  0.774925  0.350108  1
  Ni  Ni99  1  0.358082  0.151224  0.279283  1
  Ni  Ni100  1  0.387386  0.879836  0.332308  1
  Ni  Ni101  1  0.132148  0.526512  0.306003  1
  Ni  Ni102  1  0.132809  0.226849  0.360409  1
  Ni  Ni103  1  0.609264  0.427857  0.320972  1
  Ni  Ni104  1  0.629246  0.123082  0.377866  1
  Ni  Ni105  1  0.900988  0.469939  0.405495  1
  Ni  Ni106  1  0.901034  0.161985  0.461442  1
  Ni  Ni107  1  0.403174  0.570116  0.387560  1
  Ni  Ni108  1  0.402113  0.262856  0.443207  1
  Ni  Ni109  1  0.124402  0.915994  0.415430  1
  Ni  Ni110  1  0.127145  0.609180  0.470946  1
  Ni  Ni111  1  0.626167  0.815926  0.433556  1
  Ni  Ni112  1  0.627607  0.508207  0.489196  1
  Ni  Ni113  1  0.900868  0.854407  0.517071  1
  Ni  Ni114  1  0.903611  0.547594  0.572586  1
  Ni  Ni115  1  0.400406  0.955381  0.498821  1
  Ni  Ni116  1  0.401846  0.647662  0.554460  1
  Ni  Ni117  1  0.126979  0.301603  0.526574  1
  Ni  Ni118  1  0.127025  0.993649  0.582522  1
  Ni  Ni119  1  0.625900  0.200731  0.544809  1
  Ni  Ni120  1  0.624838  0.893472  0.600457  1
  Ni  Ni121  1  0.895203  0.236739  0.627608  1
  Ni  Ni122  1  0.895864  0.937076  0.682014  1
  Ni  Ni123  1  0.398766  0.340506  0.610150  1
  Ni  Ni124  1  0.418749  0.035731  0.667045  1
  Ni  Ni125  1  0.130779  0.688663  0.637909  1
  Ni  Ni126  1  0.078157  0.376881  0.694234  1
  Ni  Ni127  1  0.640627  0.583752  0.655709  1
  Ni  Ni128  1  0.669930  0.312363  0.708733  1
