# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00315567
_cell_length_b   16.68949785
_cell_length_c   48.62782159
_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   'Al108 Ni36'
_cell_volume   4872.00460162
_cell_formula_units_Z   36
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  0.984190  0.120698  0.381456  1
  Al  Al2  1  0.074357  0.632875  0.288516  1
  Al  Al3  1  0.994554  0.375205  0.336268  1
  Al  Al4  1  0.246849  0.890546  0.294817  1
  Al  Al5  1  0.263729  0.583574  0.339920  1
  Al  Al6  1  0.172927  0.308694  0.385587  1
  Al  Al7  1  0.216046  0.955943  0.374321  1
  Al  Al8  1  0.215116  0.700257  0.421169  1
  Al  Al9  1  0.171034  0.231914  0.318870  1
  Al  Al10  1  0.323580  0.200257  0.421169  1
  Al  Al11  1  0.367663  0.731914  0.318870  1
  Al  Al12  1  0.322650  0.455943  0.374321  1
  Al  Al13  1  0.756778  0.912153  0.282467  1
  Al  Al14  1  0.717515  0.618766  0.325749  1
  Al  Al15  1  0.689112  0.364071  0.376828  1
  Al  Al16  1  0.821182  0.118766  0.325749  1
  Al  Al17  1  0.849584  0.864071  0.376828  1
  Al  Al18  1  0.781918  0.412153  0.282467  1
  Al  Al19  1  0.649233  0.015615  0.365402  1
  Al  Al20  1  0.720524  0.749074  0.410629  1
  Al  Al21  1  0.665147  0.273743  0.313454  1
  Al  Al22  1  0.818172  0.249074  0.410629  1
  Al  Al23  1  0.873549  0.773743  0.313454  1
  Al  Al24  1  0.889464  0.515615  0.365402  1
  Al  Al25  1  0.274967  0.083574  0.339920  1
  Al  Al26  1  0.365770  0.808694  0.385587  1
  Al  Al27  1  0.291847  0.390546  0.294817  1
  Al  Al28  1  0.504531  0.200959  0.365617  1
  Al  Al29  1  0.528107  0.940563  0.415753  1
  Al  Al30  1  0.599312  0.458322  0.330301  1
  Al  Al31  1  0.939384  0.958322  0.330301  1
  Al  Al32  1  0.034166  0.700959  0.365617  1
  Al  Al33  1  1.010589  0.440563  0.415753  1
  Al  Al34  1  0.544142  0.875205  0.336268  1
  Al  Al35  1  0.554506  0.620698  0.381456  1
  Al  Al36  1  0.464339  0.132875  0.288516  1
  Al  Al37  1  0.039517  0.341916  0.525264  1
  Al  Al38  1  0.045671  0.863614  0.429136  1
  Al  Al39  1  0.025597  0.601556  0.478049  1
  Al  Al40  1  0.196286  0.051131  0.434647  1
  Al  Al41  1  0.204865  0.790160  0.481602  1
  Al  Al42  1  0.204151  0.528730  0.530058  1
  Al  Al43  1  0.212456  0.176202  0.516478  1
  Al  Al44  1  0.178704  0.917855  0.565120  1
  Al  Al45  1  0.194310  0.436705  0.468809  1
  Al  Al46  1  0.359992  0.417855  0.565120  1
  Al  Al47  1  0.344386  0.936705  0.468809  1
  Al  Al48  1  0.326241  0.676202  0.516478  1
  Al  Al49  1  0.678704  0.102191  0.423670  1
  Al  Al50  1  0.712456  0.843843  0.472311  1
  Al  Al51  1  0.694310  0.583341  0.519980  1
  Al  Al52  1  0.826241  0.343843  0.472311  1
  Al  Al53  1  0.844386  0.083341  0.519980  1
  Al  Al54  1  0.859992  0.602191  0.423670  1
  Al  Al55  1  0.704865  0.229885  0.507187  1
  Al  Al56  1  0.696286  0.968914  0.554142  1
  Al  Al57  1  0.704151  0.491315  0.458731  1
  Al  Al58  1  0.842410  0.468914  0.554142  1
  Al  Al59  1  0.834545  0.991315  0.458731  1
  Al  Al60  1  0.833831  0.729885  0.507187  1
  Al  Al61  1  0.333831  0.290160  0.481602  1
  Al  Al62  1  0.334545  0.028730  0.530058  1
  Al  Al63  1  0.342410  0.551131  0.434647  1
  Al  Al64  1  0.525597  0.418490  0.510741  1
  Al  Al65  1  0.545671  0.156432  0.559653  1
  Al  Al66  1  0.539517  0.678129  0.463525  1
  Al  Al67  1  0.999179  0.178129  0.463525  1
  Al  Al68  1  1.013099  0.918490  0.510741  1
  Al  Al69  1  0.993025  0.656432  0.559653  1
  Al  Al70  1  0.513099  0.101556  0.478049  1
  Al  Al71  1  0.499179  0.841916  0.525264  1
  Al  Al72  1  0.493025  0.363614  0.429136  1
  Al  Al73  1  0.099312  0.561724  0.658488  1
  Al  Al74  1  0.028107  0.079483  0.573036  1
  Al  Al75  1  1.004531  0.819087  0.623172  1
  Al  Al76  1  0.220524  0.270972  0.578160  1
  Al  Al77  1  0.149233  0.004431  0.623387  1
  Al  Al78  1  0.165147  0.746302  0.675336  1
  Al  Al79  1  0.217515  0.401280  0.663040  1
  Al  Al80  1  0.256778  0.107893  0.706323  1
  Al  Al81  1  0.189112  0.655975  0.611962  1
  Al  Al82  1  0.281918  0.607893  0.706323  1
  Al  Al83  1  0.349584  0.155975  0.611962  1
  Al  Al84  1  0.321182  0.901280  0.663040  1
  Al  Al85  1  0.715116  0.319789  0.567620  1
  Al  Al86  1  0.716046  0.064103  0.614468  1
  Al  Al87  1  0.671034  0.788132  0.669919  1
  Al  Al88  1  0.822650  0.564103  0.614468  1
  Al  Al89  1  0.867663  0.288132  0.669919  1
  Al  Al90  1  0.823580  0.819789  0.567620  1
  Al  Al91  1  0.763729  0.436472  0.648869  1
  Al  Al92  1  0.746849  0.129500  0.693972  1
  Al  Al93  1  0.672927  0.711351  0.603202  1
  Al  Al94  1  0.791847  0.629500  0.693972  1
  Al  Al95  1  0.865770  0.211351  0.603202  1
  Al  Al96  1  0.774967  0.936472  0.648869  1
  Al  Al97  1  0.389464  0.504431  0.623387  1
  Al  Al98  1  0.373549  0.246302  0.675336  1
  Al  Al99  1  0.318172  0.770972  0.578160  1
  Al  Al100  1  0.494554  0.644840  0.652522  1
  Al  Al101  1  0.574357  0.387170  0.700273  1
  Al  Al102  1  0.484190  0.899347  0.607333  1
  Al  Al103  1  0.054506  0.399347  0.607333  1
  Al  Al104  1  0.044142  0.144840  0.652522  1
  Al  Al105  1  0.964339  0.887170  0.700273  1
  Al  Al106  1  0.534166  0.319087  0.623172  1
  Al  Al107  1  0.439384  0.061724  0.658488  1
  Al  Al108  1  0.510589  0.579483  0.573036  1
  Ni  Ni109  1  0.907096  0.988962  0.405984  1
  Ni  Ni110  1  0.996465  0.504791  0.313020  1
  Ni  Ni111  1  0.884648  0.243583  0.356743  1
  Ni  Ni112  1  0.365202  0.081013  0.391227  1
  Ni  Ni113  1  0.411968  0.538792  0.295048  1
  Ni  Ni114  1  0.386347  0.335777  0.343512  1
  Ni  Ni115  1  0.126729  0.038792  0.295048  1
  Ni  Ni116  1  0.152349  0.835777  0.343512  1
  Ni  Ni117  1  0.173494  0.581013  0.391227  1
  Ni  Ni118  1  0.542231  0.004791  0.313020  1
  Ni  Ni119  1  0.654048  0.743583  0.356743  1
  Ni  Ni120  1  0.631600  0.488962  0.405984  1
  Ni  Ni121  1  0.925174  0.207772  0.550021  1
  Ni  Ni122  1  0.913985  0.728132  0.454112  1
  Ni  Ni123  1  0.904542  0.467700  0.502369  1
  Ni  Ni124  1  0.413985  0.291913  0.534677  1
  Ni  Ni125  1  0.425174  0.812273  0.438768  1
  Ni  Ni126  1  0.404542  0.552345  0.486421  1
  Ni  Ni127  1  0.113522  0.312273  0.438768  1
  Ni  Ni128  1  0.134155  0.052345  0.486421  1
  Ni  Ni129  1  0.124712  0.791913  0.534677  1
  Ni  Ni130  1  0.624712  0.228132  0.454112  1
  Ni  Ni131  1  0.634155  0.967700  0.502369  1
  Ni  Ni132  1  0.613522  0.707772  0.550021  1
  Ni  Ni133  1  0.911968  0.481254  0.693742  1
  Ni  Ni134  1  0.865202  0.939033  0.597562  1
  Ni  Ni135  1  0.886347  0.684269  0.645277  1
  Ni  Ni136  1  0.496465  0.515254  0.675769  1
  Ni  Ni137  1  0.407096  0.031084  0.582805  1
  Ni  Ni138  1  0.384648  0.776463  0.632046  1
  Ni  Ni139  1  0.131600  0.531084  0.582805  1
  Ni  Ni140  1  0.154048  0.276463  0.632046  1
  Ni  Ni141  1  0.042231  0.015254  0.675769  1
  Ni  Ni142  1  0.673494  0.439033  0.597562  1
  Ni  Ni143  1  0.652349  0.184269  0.645277  1
  Ni  Ni144  1  0.626729  0.981254  0.693742  1
