# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90315840
_cell_length_b   14.55984644
_cell_length_c   52.85894783
_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   3773.55976585
_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  0.601038  0.771638  0.341142  1
  Al  Al2  1  0.642334  0.135542  0.281197  1
  Al  Al3  1  0.146033  0.775475  0.306174  1
  Al  Al4  1  0.137216  0.416556  0.367883  1
  Al  Al5  1  0.142531  0.891502  0.356732  1
  Al  Al6  1  0.139749  0.259594  0.296150  1
  Al  Al7  1  0.653262  0.807402  0.284945  1
  Al  Al8  1  0.635152  0.444106  0.348040  1
  Al  Al9  1  0.390408  0.962908  0.275957  1
  Al  Al10  1  0.351414  0.596138  0.335608  1
  Al  Al11  1  0.877595  0.146704  0.328265  1
  Al  Al12  1  0.847132  0.506256  0.265763  1
  Al  Al13  1  0.374549  0.072839  0.324856  1
  Al  Al14  1  0.335868  0.422566  0.264133  1
  Al  Al15  1  0.891697  0.982563  0.254664  1
  Al  Al16  1  0.850965  0.622920  0.315896  1
  Al  Al17  1  0.644910  0.966145  0.358917  1
  Al  Al18  1  0.644045  0.327435  0.296555  1
  Al  Al19  1  0.911567  0.961763  0.308866  1
  Al  Al20  1  0.894021  0.594401  0.372788  1
  Al  Al21  1  0.400037  0.263596  0.343122  1
  Al  Al22  1  0.385074  0.623218  0.279006  1
  Al  Al23  1  0.166174  0.801726  0.254220  1
  Al  Al24  1  0.087316  0.445795  0.312069  1
  Al  Al25  1  0.602094  0.056189  0.466753  1
  Al  Al26  1  0.601144  0.416260  0.403937  1
  Al  Al27  1  0.143774  0.056737  0.430243  1
  Al  Al28  1  0.141247  0.698077  0.492876  1
  Al  Al29  1  0.142195  0.174838  0.482314  1
  Al  Al30  1  0.138849  0.533847  0.419539  1
  Al  Al31  1  0.644134  0.084130  0.410773  1
  Al  Al32  1  0.641044  0.725323  0.473412  1
  Al  Al33  1  0.361638  0.236328  0.399020  1
  Al  Al34  1  0.359222  0.877514  0.461536  1
  Al  Al35  1  0.860167  0.427977  0.452766  1
  Al  Al36  1  0.857310  0.787190  0.389977  1
  Al  Al37  1  0.360568  0.354188  0.450990  1
  Al  Al38  1  0.357402  0.713953  0.388333  1
  Al  Al39  1  0.861396  0.262757  0.379958  1
  Al  Al40  1  0.859388  0.904899  0.442090  1
  Al  Al41  1  0.642146  0.248638  0.484031  1
  Al  Al42  1  0.638584  0.607683  0.421362  1
  Al  Al43  1  0.901146  0.235407  0.435524  1
  Al  Al44  1  0.899055  0.876929  0.497990  1
  Al  Al45  1  0.398501  0.546408  0.468259  1
  Al  Al46  1  0.401117  0.905572  0.405598  1
  Al  Al47  1  0.108717  0.083827  0.374244  1
  Al  Al48  1  0.100591  0.725967  0.436918  1
  Al  Al49  1  0.600224  0.338465  0.592027  1
  Al  Al50  1  0.602840  0.697629  0.529367  1
  Al  Al51  1  0.141953  0.339139  0.555536  1
  Al  Al52  1  0.139945  0.981281  0.617667  1
  Al  Al53  1  0.144031  0.456848  0.607649  1
  Al  Al54  1  0.141174  0.816061  0.544860  1
  Al  Al55  1  0.642119  0.366523  0.536089  1
  Al  Al56  1  0.639703  0.007710  0.598606  1
  Al  Al57  1  0.360297  0.518715  0.524214  1
  Al  Al58  1  0.357207  0.159908  0.586853  1
  Al  Al59  1  0.862493  0.710190  0.578087  1
  Al  Al60  1  0.859146  0.069200  0.515312  1
  Al  Al61  1  0.362757  0.636355  0.576264  1
  Al  Al62  1  0.359195  0.995400  0.513595  1
  Al  Al63  1  0.860094  0.545961  0.504750  1
  Al  Al64  1  0.857567  0.187300  0.567383  1
  Al  Al65  1  0.643939  0.530084  0.609293  1
  Al  Al66  1  0.640774  0.889850  0.546636  1
  Al  Al67  1  0.900750  0.518071  0.560708  1
  Al  Al68  1  0.892624  0.160211  0.623382  1
  Al  Al69  1  0.400197  0.827778  0.593689  1
  Al  Al70  1  0.399247  0.187848  0.530873  1
  Al  Al71  1  0.102286  0.367109  0.499636  1
  Al  Al72  1  0.100195  0.008630  0.562102  1
  Al  Al73  1  0.616267  0.620820  0.718620  1
  Al  Al74  1  0.601304  0.980441  0.654504  1
  Al  Al75  1  0.150376  0.621118  0.681730  1
  Al  Al76  1  0.109644  0.261474  0.742962  1
  Al  Al77  1  0.154209  0.737782  0.731863  1
  Al  Al78  1  0.123746  0.097334  0.669360  1
  Al  Al79  1  0.649927  0.647899  0.662018  1
  Al  Al80  1  0.610933  0.281129  0.721669  1
  Al  Al81  1  0.366189  0.799932  0.649586  1
  Al  Al82  1  0.348079  0.436636  0.712681  1
  Al  Al83  1  0.861592  0.984443  0.701476  1
  Al  Al84  1  0.858810  0.352535  0.640894  1
  Al  Al85  1  0.357296  0.916603  0.701070  1
  Al  Al86  1  0.356431  0.277893  0.638709  1
  Al  Al87  1  0.864125  0.827481  0.629742  1
  Al  Al88  1  0.855308  0.468562  0.691452  1
  Al  Al89  1  0.665473  0.821472  0.733493  1
  Al  Al90  1  0.626792  0.171199  0.672770  1
  Al  Al91  1  0.914025  0.798243  0.685557  1
  Al  Al92  1  0.835167  0.442311  0.743406  1
  Al  Al93  1  0.359007  0.108496  0.716429  1
  Al  Al94  1  0.400303  0.472400  0.656483  1
  Al  Al95  1  0.107320  0.649636  0.624838  1
  Al  Al96  1  0.089774  0.282275  0.688760  1
  Ni  Ni97  1  0.128750  0.100972  0.283877  1
  Ni  Ni98  1  0.081437  0.726241  0.349730  1
  Ni  Ni99  1  0.428586  0.906729  0.318989  1
  Ni  Ni100  1  0.393503  0.250266  0.257754  1
  Ni  Ni101  1  0.899170  0.671971  0.271821  1
  Ni  Ni102  1  0.912385  0.311810  0.336028  1
  Ni  Ni103  1  0.591128  0.130932  0.366235  1
  Ni  Ni104  1  0.568760  0.490637  0.303849  1
  Ni  Ni105  1  0.085980  0.368741  0.412234  1
  Ni  Ni106  1  0.086410  0.010077  0.474696  1
  Ni  Ni107  1  0.416570  0.189305  0.443434  1
  Ni  Ni108  1  0.409590  0.549615  0.380457  1
  Ni  Ni109  1  0.917590  0.951537  0.397630  1
  Ni  Ni110  1  0.913940  0.592857  0.460244  1
  Ni  Ni111  1  0.586655  0.413455  0.491629  1
  Ni  Ni112  1  0.585331  0.772357  0.428973  1
  Ni  Ni113  1  0.087401  0.651181  0.537382  1
  Ni  Ni114  1  0.083751  0.292501  0.599996  1
  Ni  Ni115  1  0.416010  0.471680  0.568653  1
  Ni  Ni116  1  0.414686  0.830582  0.505997  1
  Ni  Ni117  1  0.914931  0.233961  0.522930  1
  Ni  Ni118  1  0.915361  0.875297  0.585392  1
  Ni  Ni119  1  0.591751  0.694422  0.617169  1
  Ni  Ni120  1  0.584771  0.054733  0.554192  1
  Ni  Ni121  1  0.088956  0.932228  0.661598  1
  Ni  Ni122  1  0.102171  0.572067  0.725804  1
  Ni  Ni123  1  0.432581  0.753401  0.693777  1
  Ni  Ni124  1  0.410213  0.113106  0.631391  1
  Ni  Ni125  1  0.919904  0.517797  0.647896  1
  Ni  Ni126  1  0.872591  0.143066  0.713748  1
  Ni  Ni127  1  0.607838  0.993772  0.739871  1
  Ni  Ni128  1  0.572755  0.337309  0.678637  1
