# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06554334
_cell_length_b   12.50720587
_cell_length_c   55.48155584
_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   4208.99723006
_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  0.376635  1
  Al  Al2  1  0.016521  0.934977  0.322494  1
  Al  Al3  1  0.212508  0.192287  0.317308  1
  Al  Al4  1  0.188727  0.875384  0.370555  1
  Al  Al5  1  0.196751  0.407048  0.378989  1
  Al  Al6  1  0.194265  0.713669  0.323552  1
  Al  Al7  1  0.325522  0.367672  0.291440  1
  Al  Al8  1  0.329953  0.059856  0.351904  1
  Al  Al9  1  0.686072  0.241278  0.301903  1
  Al  Al10  1  0.693158  0.941229  0.358091  1
  Al  Al11  1  0.821619  0.593238  0.329792  1
  Al  Al12  1  0.859299  0.903297  0.275710  1
  Al  Al13  1  0.696859  0.470379  0.366795  1
  Al  Al14  1  0.680292  0.782732  0.312482  1
  Al  Al15  1  0.834349  0.436046  0.283895  1
  Al  Al16  1  0.842345  0.127485  0.339599  1
  Al  Al17  1  0.335827  0.529718  0.342836  1
  Al  Al18  1  0.316851  0.848002  0.286460  1
  Al  Al19  1  0.521214  0.719613  0.360394  1
  Al  Al20  1  0.564204  0.019231  0.306836  1
  Al  Al21  1  0.990543  0.370511  0.332072  1
  Al  Al22  1  0.960505  0.670440  0.281127  1
  Al  Al23  1  0.511929  0.281504  0.349278  1
  Al  Al24  1  0.493401  0.593022  0.292948  1
  Al  Al25  1  0.024874  0.012807  0.488465  1
  Al  Al26  1  0.026356  0.320980  0.432778  1
  Al  Al27  1  0.196045  0.568612  0.425870  1
  Al  Al28  1  0.195917  0.261412  0.481576  1
  Al  Al29  1  0.194937  0.791649  0.490263  1
  Al  Al30  1  0.194671  0.099204  0.434681  1
  Al  Al31  1  0.332831  0.752806  0.406800  1
  Al  Al32  1  0.333486  0.445542  0.462426  1
  Al  Al33  1  0.695991  0.633223  0.414294  1
  Al  Al34  1  0.695894  0.325768  0.469962  1
  Al  Al35  1  0.831686  0.979387  0.442193  1
  Al  Al36  1  0.833075  0.287353  0.386472  1
  Al  Al37  1  0.695077  0.855951  0.478634  1
  Al  Al38  1  0.697773  0.163480  0.422980  1
  Al  Al39  1  0.827467  0.817270  0.395004  1
  Al  Al40  1  0.832511  0.509798  0.450713  1
  Al  Al41  1  0.331223  0.914988  0.453777  1
  Al  Al42  1  0.335862  0.222888  0.398373  1
  Al  Al43  1  0.525407  0.104313  0.471785  1
  Al  Al44  1  0.526887  0.412095  0.416150  1
  Al  Al45  1  1.001513  0.757816  0.443934  1
  Al  Al46  1  1.002855  0.066102  0.388483  1
  Al  Al47  1  0.502731  0.666686  0.460590  1
  Al  Al48  1  0.500041  0.974499  0.404794  1
  Al  Al49  1  0.025158  0.397486  0.599538  1
  Al  Al50  1  0.026499  0.705771  0.544087  1
  Al  Al51  1  0.195502  0.953790  0.537307  1
  Al  Al52  1  0.200546  0.646318  0.593017  1
  Al  Al53  1  0.194937  0.176235  0.601549  1
  Al  Al54  1  0.196327  0.484201  0.545827  1
  Al  Al55  1  0.332119  0.137819  0.518059  1
  Al  Al56  1  0.332021  0.830365  0.573727  1
  Al  Al57  1  0.694527  0.018046  0.525595  1
  Al  Al58  1  0.695181  0.710782  0.581220  1
  Al  Al59  1  0.833342  0.364383  0.553340  1
  Al  Al60  1  0.833076  0.671939  0.497758  1
  Al  Al61  1  0.692150  0.240700  0.589648  1
  Al  Al62  1  0.696790  0.548600  0.534244  1
  Al  Al63  1  0.832095  0.202176  0.506445  1
  Al  Al64  1  0.831968  0.894976  0.562151  1
  Al  Al65  1  0.330240  0.300107  0.565041  1
  Al  Al66  1  0.332936  0.607637  0.509386  1
  Al  Al67  1  0.527971  0.489088  0.583227  1
  Al  Al68  1  0.525282  0.796902  0.527430  1
  Al  Al69  1  1.001657  0.142608  0.555242  1
  Al  Al70  1  1.003139  0.450780  0.499556  1
  Al  Al71  1  0.501126  0.051492  0.571871  1
  Al  Al72  1  0.502606  0.359274  0.516236  1
  Al  Al73  1  0.067508  0.793148  0.706894  1
  Al  Al74  1  0.037470  0.093077  0.655949  1
  Al  Al75  1  0.185668  0.336103  0.648422  1
  Al  Al76  1  0.193664  0.027542  0.704126  1
  Al  Al77  1  0.168714  0.560290  0.712311  1
  Al  Al78  1  0.206394  0.870350  0.658229  1
  Al  Al79  1  0.334854  0.522359  0.629930  1
  Al  Al80  1  0.341940  0.222310  0.686118  1
  Al  Al81  1  0.698059  0.403732  0.636117  1
  Al  Al82  1  0.702491  0.095916  0.696581  1
  Al  Al83  1  0.833748  0.749919  0.664469  1
  Al  Al84  1  0.831262  0.056540  0.609032  1
  Al  Al85  1  0.711162  0.615585  0.701560  1
  Al  Al86  1  0.692186  0.933869  0.645185  1
  Al  Al87  1  0.839286  0.588204  0.617466  1
  Al  Al88  1  0.815505  0.271301  0.670713  1
  Al  Al89  1  0.347720  0.680856  0.675539  1
  Al  Al90  1  0.331154  0.993208  0.621226  1
  Al  Al91  1  0.534612  0.870566  0.695073  1
  Al  Al92  1  0.516084  0.182083  0.638743  1
  Al  Al93  1  1.011492  0.528611  0.665527  1
  Al  Al94  1  1.001533  0.836437  0.611385  1
  Al  Al95  1  0.463808  0.444357  0.681185  1
  Al  Al96  1  0.506799  0.743974  0.627627  1
  Ni  Ni97  1  0.949855  0.086707  0.293784  1
  Ni  Ni98  1  0.897234  0.774925  0.350109  1
  Ni  Ni99  1  0.358082  0.151224  0.279284  1
  Ni  Ni100  1  0.387386  0.879836  0.332309  1
  Ni  Ni101  1  0.132148  0.526512  0.306004  1
  Ni  Ni102  1  0.132809  0.226849  0.360410  1
  Ni  Ni103  1  0.609264  0.427857  0.320973  1
  Ni  Ni104  1  0.629246  0.123082  0.377868  1
  Ni  Ni105  1  0.900988  0.469939  0.405497  1
  Ni  Ni106  1  0.901034  0.161985  0.461444  1
  Ni  Ni107  1  0.403174  0.570116  0.387561  1
  Ni  Ni108  1  0.402113  0.262856  0.443209  1
  Ni  Ni109  1  0.124401  0.915994  0.415432  1
  Ni  Ni110  1  0.127145  0.609180  0.470948  1
  Ni  Ni111  1  0.626167  0.815926  0.433558  1
  Ni  Ni112  1  0.627607  0.508207  0.489198  1
  Ni  Ni113  1  0.900868  0.854407  0.517073  1
  Ni  Ni114  1  0.903611  0.547594  0.572589  1
  Ni  Ni115  1  0.400406  0.955381  0.498823  1
  Ni  Ni116  1  0.401846  0.647662  0.554463  1
  Ni  Ni117  1  0.126979  0.301602  0.526577  1
  Ni  Ni118  1  0.127025  0.993649  0.582524  1
  Ni  Ni119  1  0.625899  0.200731  0.544811  1
  Ni  Ni120  1  0.624838  0.893472  0.600460  1
  Ni  Ni121  1  0.895203  0.236739  0.627611  1
  Ni  Ni122  1  0.895864  0.937076  0.682017  1
  Ni  Ni123  1  0.398766  0.340506  0.610153  1
  Ni  Ni124  1  0.418749  0.035731  0.667048  1
  Ni  Ni125  1  0.130779  0.688663  0.637912  1
  Ni  Ni126  1  0.078157  0.376881  0.694237  1
  Ni  Ni127  1  0.640627  0.583752  0.655711  1
  Ni  Ni128  1  0.669930  0.312363  0.708737  1
