# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.68896300
_cell_length_b   9.80091891
_cell_length_c   48.02125973
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.29562312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al120 Ni40'
_cell_volume   5125.79541477
_cell_formula_units_Z   40
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  0.102543  0.874975  0.361135  1
  Al  Al2  1  0.490024  0.040818  0.322581  1
  Al  Al3  1  0.755656  0.213810  0.321121  1
  Al  Al4  1  0.207685  0.379161  0.283126  1
  Al  Al5  1  0.653249  0.994277  0.284094  1
  Al  Al6  1  0.287320  0.782769  0.334366  1
  Al  Al7  1  0.015640  0.304184  0.321516  1
  Al  Al8  1  0.466259  0.524324  0.276645  1
  Al  Al9  1  0.970376  0.077241  0.356958  1
  Al  Al10  1  0.393453  0.264253  0.309092  1
  Al  Al11  1  0.102355  0.783268  0.298749  1
  Al  Al12  1  0.705459  0.623629  0.347874  1
  Al  Al13  1  0.909678  0.827689  0.324367  1
  Al  Al14  1  0.336933  0.003165  0.277545  1
  Al  Al15  1  0.227202  0.194154  0.354739  1
  Al  Al16  1  0.664325  0.431376  0.303554  1
  Al  Al17  1  0.105585  0.570766  0.360170  1
  Al  Al18  1  0.495806  0.753708  0.315877  1
  Al  Al19  1  0.100155  0.078026  0.303709  1
  Al  Al20  1  0.704175  0.918432  0.347439  1
  Al  Al21  1  0.912991  0.520677  0.324430  1
  Al  Al22  1  0.300815  0.693525  0.278794  1
  Al  Al23  1  0.700875  0.734815  0.293060  1
  Al  Al24  1  0.292218  0.486008  0.334897  1
  Al  Al25  1  0.289476  0.519099  0.452180  1
  Al  Al26  1  0.696001  0.697153  0.407057  1
  Al  Al27  1  0.969689  0.860287  0.414483  1
  Al  Al28  1  0.365946  0.032235  0.370233  1
  Al  Al29  1  0.895183  0.609615  0.378940  1
  Al  Al30  1  0.492791  0.429829  0.423319  1
  Al  Al31  1  0.219709  0.968708  0.415651  1
  Al  Al32  1  0.623512  0.140165  0.370457  1
  Al  Al33  1  0.167049  0.727013  0.449171  1
  Al  Al34  1  0.571658  0.900444  0.404913  1
  Al  Al35  1  0.295939  0.440108  0.393227  1
  Al  Al36  1  0.896021  0.266115  0.438500  1
  Al  Al37  1  0.088896  0.471852  0.413178  1
  Al  Al38  1  0.496793  0.644864  0.368900  1
  Al  Al39  1  0.417907  0.836143  0.449784  1
  Al  Al40  1  0.821633  0.017954  0.402977  1
  Al  Al41  1  0.297957  0.222675  0.449855  1
  Al  Al42  1  0.701036  0.397107  0.403866  1
  Al  Al43  1  0.309305  0.745484  0.394262  1
  Al  Al44  1  0.907401  0.571447  0.438673  1
  Al  Al45  1  0.097776  0.174982  0.409966  1
  Al  Al46  1  0.500696  0.347303  0.363478  1
  Al  Al47  1  0.881507  0.303885  0.376394  1
  Al  Al48  1  0.478924  0.124177  0.424585  1
  Al  Al49  1  0.486146  0.169147  0.542977  1
  Al  Al50  1  0.888577  0.343748  0.497430  1
  Al  Al51  1  0.167775  0.509812  0.505644  1
  Al  Al52  1  0.569602  0.684280  0.460324  1
  Al  Al53  1  0.090160  0.255316  0.469726  1
  Al  Al54  1  0.688983  0.081146  0.516021  1
  Al  Al55  1  0.419199  0.618716  0.506173  1
  Al  Al56  1  0.820870  0.793955  0.460658  1
  Al  Al57  1  0.363653  0.377574  0.539891  1
  Al  Al58  1  0.765323  0.552813  0.494376  1
  Al  Al59  1  0.495540  0.090383  0.484528  1
  Al  Al60  1  0.094362  0.916213  0.530824  1
  Al  Al61  1  0.287348  0.124710  0.504404  1
  Al  Al62  1  0.688733  0.300079  0.458666  1
  Al  Al63  1  0.614920  0.487249  0.540226  1
  Al  Al64  1  0.016747  0.661717  0.494906  1
  Al  Al65  1  0.495789  0.871450  0.541883  1
  Al  Al66  1  0.897175  0.046819  0.496146  1
  Al  Al67  1  0.505256  0.395354  0.483809  1
  Al  Al68  1  0.105196  0.221271  0.529898  1
  Al  Al69  1  0.295945  0.827781  0.503119  1
  Al  Al70  1  0.698376  0.002382  0.457572  1
  Al  Al71  1  0.079326  0.950257  0.470652  1
  Al  Al72  1  0.679266  0.776175  0.516741  1
  Al  Al73  1  0.683827  0.824226  0.637072  1
  Al  Al74  1  0.086746  0.996547  0.590584  1
  Al  Al75  1  0.362889  0.153574  0.597573  1
  Al  Al76  1  0.766615  0.335385  0.550765  1
  Al  Al77  1  0.288501  0.905414  0.562050  1
  Al  Al78  1  0.888584  0.731421  0.607323  1
  Al  Al79  1  0.612864  0.271084  0.595637  1
  Al  Al80  1  0.017474  0.444515  0.551379  1
  Al  Al81  1  0.561011  0.031364  0.630093  1
  Al  Al82  1  0.964814  0.202820  0.584898  1
  Al  Al83  1  0.691732  0.741700  0.577231  1
  Al  Al84  1  0.289339  0.561913  0.621610  1
  Al  Al85  1  0.483487  0.774422  0.596684  1
  Al  Al86  1  0.886566  0.948853  0.550694  1
  Al  Al87  1  0.818576  0.139294  0.630317  1
  Al  Al88  1  0.214834  0.311242  0.586067  1
  Al  Al89  1  0.687729  0.526665  0.631650  1
  Al  Al90  1  0.095626  0.699676  0.587372  1
  Al  Al91  1  0.705599  0.047351  0.575965  1
  Al  Al92  1  0.303015  0.867644  0.624156  1
  Al  Al93  1  0.488521  0.474376  0.593493  1
  Al  Al94  1  0.895046  0.652430  0.548370  1
  Al  Al95  1  0.277121  0.600081  0.561877  1
  Al  Al96  1  0.875218  0.426045  0.606288  1
  Al  Al97  1  0.883708  0.478003  0.721755  1
  Al  Al98  1  0.271531  0.650852  0.676120  1
  Al  Al99  1  0.520197  0.740153  0.696995  1
  Al  Al100  1  0.957320  0.977375  0.645811  1
  Al  Al101  1  0.479064  0.547899  0.652676  1
  Al  Al102  1  0.082167  0.388261  0.701801  1
  Al  Al103  1  0.791069  0.907276  0.691458  1
  Al  Al104  1  0.214146  0.094288  0.643592  1
  Al  Al105  1  0.718264  0.647205  0.723905  1
  Al  Al106  1  0.168882  0.867344  0.679034  1
  Al  Al107  1  0.897202  0.388759  0.666183  1
  Al  Al108  1  0.531273  0.177251  0.716455  1
  Al  Al109  1  0.688716  0.417821  0.684673  1
  Al  Al110  1  0.078937  0.600763  0.640379  1
  Al  Al111  1  0.976837  0.792368  0.717424  1
  Al  Al112  1  0.428866  0.957719  0.679428  1
  Al  Al113  1  0.847590  0.168364  0.723005  1
  Al  Al114  1  0.274845  0.343839  0.676183  1
  Al  Al115  1  0.892304  0.685521  0.665653  1
  Al  Al116  1  0.483647  0.436714  0.707489  1
  Al  Al117  1  0.694498  0.130710  0.677969  1
  Al  Al118  1  0.081980  0.296554  0.639415  1
  Al  Al119  1  0.480348  0.253097  0.653110  1
  Al  Al120  1  0.084368  0.093503  0.696841  1
  Ni  Ni121  1  0.554562  0.190506  0.283899  1
  Ni  Ni122  1  0.263095  0.010775  0.324362  1
  Ni  Ni123  1  0.859672  0.038534  0.311397  1
  Ni  Ni124  1  0.482105  0.877491  0.359906  1
  Ni  Ni125  1  0.136102  0.557349  0.310262  1
  Ni  Ni126  1  0.726874  0.391589  0.353049  1
  Ni  Ni127  1  0.868402  0.649051  0.287714  1
  Ni  Ni128  1  0.510949  0.517081  0.324853  1
  Ni  Ni129  1  0.853182  0.833242  0.372215  1
  Ni  Ni130  1  0.451582  0.651868  0.417896  1
  Ni  Ni131  1  0.091021  0.714614  0.401958  1
  Ni  Ni132  1  0.688607  0.538223  0.446967  1
  Ni  Ni133  1  0.333963  0.217727  0.399728  1
  Ni  Ni134  1  0.935845  0.043278  0.446111  1
  Ni  Ni135  1  0.101227  0.330598  0.368985  1
  Ni  Ni136  1  0.697838  0.156935  0.417119  1
  Ni  Ni137  1  0.050418  0.478076  0.462872  1
  Ni  Ni138  1  0.648760  0.303667  0.508294  1
  Ni  Ni139  1  0.287140  0.363673  0.492654  1
  Ni  Ni140  1  0.886401  0.188844  0.538298  1
  Ni  Ni141  1  0.535762  0.867861  0.492255  1
  Ni  Ni142  1  0.134104  0.693452  0.537678  1
  Ni  Ni143  1  0.298122  0.982684  0.462252  1
  Ni  Ni144  1  0.897382  0.807856  0.507895  1
  Ni  Ni145  1  0.248677  0.128251  0.554438  1
  Ni  Ni146  1  0.850559  0.953802  0.600822  1
  Ni  Ni147  1  0.486684  0.014594  0.583431  1
  Ni  Ni148  1  0.083296  0.840930  0.631564  1
  Ni  Ni149  1  0.732941  0.519661  0.582654  1
  Ni  Ni150  1  0.331340  0.338287  0.628335  1
  Ni  Ni151  1  0.495915  0.633305  0.553583  1
  Ni  Ni152  1  0.093502  0.456915  0.598592  1
  Ni  Ni153  1  0.457648  0.779940  0.647500  1
  Ni  Ni154  1  0.048420  0.614180  0.690287  1
  Ni  Ni155  1  0.673574  0.654447  0.675697  1
  Ni  Ni156  1  0.316120  0.522478  0.712836  1
  Ni  Ni157  1  0.921427  0.160753  0.676188  1
  Ni  Ni158  1  0.629960  0.981023  0.716651  1
  Ni  Ni159  1  0.702417  0.294038  0.640643  1
  Ni  Ni160  1  0.324850  0.132995  0.689152  1
