# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.55454409
_cell_length_b   9.90301495
_cell_length_c   48.10002123
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.61167281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al120 Ni40'
_cell_volume   5184.55386329
_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  0.091557  0.015710  0.358486  1
  Al  Al2  1  0.486733  0.171649  0.321894  1
  Al  Al3  1  0.748414  0.349448  0.318241  1
  Al  Al4  1  0.200393  0.507298  0.280207  1
  Al  Al5  1  0.646754  0.118780  0.282960  1
  Al  Al6  1  0.287126  0.914106  0.333101  1
  Al  Al7  1  0.010227  0.436927  0.318310  1
  Al  Al8  1  0.456861  0.648333  0.275485  1
  Al  Al9  1  0.961547  0.221363  0.353793  1
  Al  Al10  1  0.381449  0.393515  0.307307  1
  Al  Al11  1  0.099386  0.918898  0.299187  1
  Al  Al12  1  0.705221  0.770605  0.345395  1
  Al  Al13  1  0.903533  0.967143  0.321060  1
  Al  Al14  1  0.331357  0.130528  0.277156  1
  Al  Al15  1  0.215037  0.325062  0.353527  1
  Al  Al16  1  0.667641  0.571498  0.299304  1
  Al  Al17  1  0.102471  0.720140  0.358527  1
  Al  Al18  1  0.490599  0.881602  0.314471  1
  Al  Al19  1  0.098413  0.212467  0.300226  1
  Al  Al20  1  0.701278  0.058018  0.341764  1
  Al  Al21  1  0.906411  0.647413  0.323151  1
  Al  Al22  1  0.296102  0.822348  0.277101  1
  Al  Al23  1  0.689824  0.862159  0.291000  1
  Al  Al24  1  0.289643  0.609129  0.332574  1
  Al  Al25  1  0.281724  0.690576  0.448595  1
  Al  Al26  1  0.688894  0.851659  0.403507  1
  Al  Al27  1  0.968581  0.023365  0.413350  1
  Al  Al28  1  0.367500  0.175872  0.369566  1
  Al  Al29  1  0.887974  0.745474  0.376062  1
  Al  Al30  1  0.488024  0.581214  0.420194  1
  Al  Al31  1  0.214129  0.119673  0.412641  1
  Al  Al32  1  0.621853  0.277191  0.367784  1
  Al  Al33  1  0.158863  0.900639  0.448737  1
  Al  Al34  1  0.567342  0.059624  0.405761  1
  Al  Al35  1  0.288289  0.592806  0.391939  1
  Al  Al36  1  0.890265  0.436738  0.437701  1
  Al  Al37  1  0.077737  0.618354  0.410362  1
  Al  Al38  1  0.487488  0.770935  0.366760  1
  Al  Al39  1  0.405034  0.993295  0.447309  1
  Al  Al40  1  0.812691  0.163989  0.399376  1
  Al  Al41  1  0.297476  0.398229  0.448308  1
  Al  Al42  1  0.696869  0.554441  0.401904  1
  Al  Al43  1  0.300203  0.893707  0.392432  1
  Al  Al44  1  0.899837  0.737061  0.435395  1
  Al  Al45  1  0.091955  0.327917  0.408687  1
  Al  Al46  1  0.488792  0.474836  0.362531  1
  Al  Al47  1  0.872808  0.443681  0.374930  1
  Al  Al48  1  0.475257  0.279805  0.423790  1
  Al  Al49  1  0.477169  0.370829  0.539627  1
  Al  Al50  1  0.880683  0.531280  0.494430  1
  Al  Al51  1  0.169778  0.707593  0.504044  1
  Al  Al52  1  0.571399  0.866461  0.458853  1
  Al  Al53  1  0.086776  0.423758  0.466436  1
  Al  Al54  1  0.685721  0.264941  0.512616  1
  Al  Al55  1  0.416718  0.801185  0.502694  1
  Al  Al56  1  0.817551  0.959814  0.457551  1
  Al  Al57  1  0.356515  0.582460  0.538870  1
  Al  Al58  1  0.757348  0.741088  0.493727  1
  Al  Al59  1  0.488345  0.277333  0.483804  1
  Al  Al60  1  0.087290  0.118515  0.529985  1
  Al  Al61  1  0.276021  0.303825  0.502071  1
  Al  Al62  1  0.678340  0.463394  0.456150  1
  Al  Al63  1  0.602667  0.675812  0.537568  1
  Al  Al64  1  0.004288  0.834681  0.492377  1
  Al  Al65  1  0.495726  0.078880  0.540271  1
  Al  Al66  1  0.898045  0.238448  0.494350  1
  Al  Al67  1  0.499702  0.579746  0.480733  1
  Al  Al68  1  0.099876  0.421511  0.526561  1
  Al  Al69  1  0.293383  0.010994  0.501991  1
  Al  Al70  1  0.696897  0.171445  0.456793  1
  Al  Al71  1  0.074190  0.120763  0.469860  1
  Al  Al72  1  0.674364  0.962527  0.515687  1
  Al  Al73  1  0.685275  0.067437  0.633890  1
  Al  Al74  1  0.082111  0.214357  0.587734  1
  Al  Al75  1  0.361375  0.378284  0.597045  1
  Al  Al76  1  0.769032  0.548978  0.549112  1
  Al  Al77  1  0.283801  0.105535  0.558720  1
  Al  Al78  1  0.885777  0.949468  0.604482  1
  Al  Al79  1  0.606724  0.482649  0.590660  1
  Al  Al80  1  0.015204  0.641634  0.547684  1
  Al  Al81  1  0.552213  0.265082  0.628636  1
  Al  Al82  1  0.959937  0.422600  0.583780  1
  Al  Al83  1  0.686042  0.961059  0.576227  1
  Al  Al84  1  0.286092  0.796800  0.620359  1
  Al  Al85  1  0.477197  0.987833  0.594517  1
  Al  Al86  1  0.876590  0.144044  0.548113  1
  Al  Al87  1  0.806566  0.366402  0.626855  1
  Al  Al88  1  0.205485  0.518908  0.583071  1
  Al  Al89  1  0.686578  0.771338  0.629660  1
  Al  Al90  1  0.096329  0.923919  0.586059  1
  Al  Al91  1  0.698809  0.262468  0.572631  1
  Al  Al92  1  0.301258  0.098593  0.621491  1
  Al  Al93  1  0.485173  0.690615  0.592914  1
  Al  Al94  1  0.892342  0.851698  0.547826  1
  Al  Al95  1  0.274229  0.805212  0.561026  1
  Al  Al96  1  0.873863  0.648566  0.603989  1
  Al  Al97  1  0.877965  0.719926  0.719320  1
  Al  Al98  1  0.267655  0.894860  0.673270  1
  Al  Al99  1  0.506425  0.970775  0.697117  1
  Al  Al100  1  0.959029  0.217211  0.642894  1
  Al  Al101  1  0.468845  0.771668  0.651026  1
  Al  Al102  1  0.074680  0.623375  0.697234  1
  Al  Al103  1  0.792617  0.148758  0.689113  1
  Al  Al104  1  0.212519  0.320910  0.642627  1
  Al  Al105  1  0.717206  0.893940  0.720936  1
  Al  Al106  1  0.163839  0.105346  0.678111  1
  Al  Al107  1  0.886940  0.628167  0.663320  1
  Al  Al108  1  0.527312  0.423493  0.713461  1
  Al  Al109  1  0.683467  0.660671  0.681950  1
  Al  Al110  1  0.071595  0.822133  0.637893  1
  Al  Al111  1  0.973673  0.034975  0.716214  1
  Al  Al112  1  0.425652  0.192825  0.678180  1
  Al  Al113  1  0.842709  0.411745  0.719265  1
  Al  Al114  1  0.270533  0.575131  0.675360  1
  Al  Al115  1  0.884423  0.933144  0.663846  1
  Al  Al116  1  0.484242  0.680114  0.705421  1
  Al  Al117  1  0.687333  0.370624  0.674527  1
  Al  Al118  1  0.082509  0.526563  0.637934  1
  Al  Al119  1  0.472788  0.484255  0.654656  1
  Al  Al120  1  0.075653  0.329807  0.696195  1
  Ni  Ni121  1  0.557308  0.324313  0.282811  1
  Ni  Ni122  1  0.257050  0.143098  0.324370  1
  Ni  Ni123  1  0.863409  0.184427  0.304745  1
  Ni  Ni124  1  0.484178  0.010333  0.359673  1
  Ni  Ni125  1  0.131181  0.687884  0.308978  1
  Ni  Ni126  1  0.713869  0.531106  0.350448  1
  Ni  Ni127  1  0.868785  0.781837  0.284860  1
  Ni  Ni128  1  0.513142  0.641945  0.323927  1
  Ni  Ni129  1  0.853811  0.976872  0.369849  1
  Ni  Ni130  1  0.452653  0.809156  0.415498  1
  Ni  Ni131  1  0.080950  0.863778  0.400720  1
  Ni  Ni132  1  0.680032  0.704090  0.445230  1
  Ni  Ni133  1  0.325934  0.366111  0.398322  1
  Ni  Ni134  1  0.927493  0.209614  0.443891  1
  Ni  Ni135  1  0.095172  0.475370  0.366249  1
  Ni  Ni136  1  0.697791  0.315717  0.414938  1
  Ni  Ni137  1  0.049082  0.650814  0.460668  1
  Ni  Ni138  1  0.647133  0.491557  0.506268  1
  Ni  Ni139  1  0.279952  0.546670  0.490610  1
  Ni  Ni140  1  0.879164  0.386219  0.536306  1
  Ni  Ni141  1  0.526933  0.050717  0.490153  1
  Ni  Ni142  1  0.124984  0.891459  0.535753  1
  Ni  Ni143  1  0.294902  0.156054  0.460115  1
  Ni  Ni144  1  0.894114  0.995603  0.505811  1
  Ni  Ni145  1  0.246573  0.332659  0.552529  1
  Ni  Ni146  1  0.848132  0.176163  0.598099  1
  Ni  Ni147  1  0.476275  0.226556  0.581482  1
  Ni  Ni148  1  0.078895  0.066903  0.630171  1
  Ni  Ni149  1  0.721413  0.733117  0.580923  1
  Ni  Ni150  1  0.320255  0.565402  0.626572  1
  Ni  Ni151  1  0.494035  0.838183  0.551190  1
  Ni  Ni152  1  0.093116  0.678495  0.595701  1
  Ni  Ni153  1  0.460197  0.011167  0.645972  1
  Ni  Ni154  1  0.042886  0.854389  0.687443  1
  Ni  Ni155  1  0.660924  0.900328  0.672494  1
  Ni  Ni156  1  0.305282  0.760436  0.711561  1
  Ni  Ni157  1  0.917016  0.399175  0.672051  1
  Ni  Ni158  1  0.616758  0.217960  0.713609  1
  Ni  Ni159  1  0.689888  0.531940  0.636748  1
  Ni  Ni160  1  0.310657  0.357846  0.691676  1
