# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41049473
_cell_length_b   11.66293572
_cell_length_c   49.14839536
_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   'Al120 Ni40'
_cell_volume   4821.01816764
_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  0.753328  0.810317  0.345581  1
  Al  Al2  1  0.753328  0.400445  0.300643  1
  Al  Al3  1  0.513597  0.546469  0.348198  1
  Al  Al4  1  0.508413  0.124544  0.304696  1
  Al  Al5  1  0.993059  0.546469  0.348198  1
  Al  Al6  1  0.998243  0.124544  0.304696  1
  Al  Al7  1  0.504476  0.915418  0.283161  1
  Al  Al8  1  0.497505  0.332234  0.328880  1
  Al  Al9  1  0.523313  0.539612  0.287167  1
  Al  Al10  1  0.510290  0.944490  0.338669  1
  Al  Al11  1  0.015654  0.732385  0.318082  1
  Al  Al12  1  0.025306  0.301763  0.271355  1
  Al  Al13  1  0.983343  0.539612  0.287167  1
  Al  Al14  1  0.996366  0.944490  0.338669  1
  Al  Al15  1  0.491002  0.732385  0.318082  1
  Al  Al16  1  0.481350  0.301763  0.271355  1
  Al  Al17  1  1.002180  0.915418  0.283161  1
  Al  Al18  1  0.009151  0.332234  0.328880  1
  Al  Al19  1  0.753328  0.768546  0.286694  1
  Al  Al20  1  0.753328  0.197124  0.335680  1
  Al  Al21  1  0.253328  0.469302  0.326857  1
  Al  Al22  1  0.253328  0.064130  0.276985  1
  Al  Al23  1  0.253328  0.670320  0.286252  1
  Al  Al24  1  0.253328  0.079219  0.336156  1
  Al  Al25  1  0.753328  0.644027  0.437007  1
  Al  Al26  1  0.753328  0.227928  0.391991  1
  Al  Al27  1  0.511253  0.378157  0.439893  1
  Al  Al28  1  0.511610  0.961313  0.394565  1
  Al  Al29  1  0.995402  0.378157  0.439893  1
  Al  Al30  1  0.995046  0.961313  0.394565  1
  Al  Al31  1  0.495853  0.746050  0.374860  1
  Al  Al32  1  0.494977  0.163154  0.420938  1
  Al  Al33  1  0.512282  0.365561  0.383520  1
  Al  Al34  1  0.511690  0.780817  0.429272  1
  Al  Al35  1  0.010273  0.566557  0.410242  1
  Al  Al36  1  0.011966  0.149804  0.364791  1
  Al  Al37  1  0.994374  0.365561  0.383520  1
  Al  Al38  1  0.994966  0.780817  0.429272  1
  Al  Al39  1  0.496383  0.566557  0.410242  1
  Al  Al40  1  0.494690  0.149804  0.364791  1
  Al  Al41  1  0.010803  0.746050  0.374860  1
  Al  Al42  1  0.011679  0.163154  0.420938  1
  Al  Al43  1  0.753328  0.610166  0.378504  1
  Al  Al44  1  0.753328  0.026603  0.424342  1
  Al  Al45  1  0.253328  0.300008  0.412872  1
  Al  Al46  1  0.253328  0.881471  0.367922  1
  Al  Al47  1  0.253328  0.502576  0.381217  1
  Al  Al48  1  0.253328  0.916581  0.425986  1
  Al  Al49  1  0.753328  0.476471  0.528040  1
  Al  Al50  1  0.753328  0.060314  0.482490  1
  Al  Al51  1  0.511333  0.210937  0.530994  1
  Al  Al52  1  0.511529  0.794390  0.485545  1
  Al  Al53  1  0.995323  0.210937  0.530994  1
  Al  Al54  1  0.995127  0.794390  0.485545  1
  Al  Al55  1  0.495230  0.579569  0.466373  1
  Al  Al56  1  0.495584  0.995879  0.511886  1
  Al  Al57  1  0.511072  0.197135  0.474893  1
  Al  Al58  1  0.511426  0.613445  0.520406  1
  Al  Al59  1  0.011529  0.398624  0.501234  1
  Al  Al60  1  0.011333  0.982077  0.455785  1
  Al  Al61  1  0.995584  0.197135  0.474893  1
  Al  Al62  1  0.995230  0.613445  0.520406  1
  Al  Al63  1  0.495127  0.398624  0.501234  1
  Al  Al64  1  0.495323  0.982077  0.455785  1
  Al  Al65  1  0.011426  0.579569  0.466373  1
  Al  Al66  1  0.011072  0.995879  0.511886  1
  Al  Al67  1  0.753328  0.443495  0.469834  1
  Al  Al68  1  0.753328  0.859541  0.515498  1
  Al  Al69  1  0.253328  0.132700  0.504289  1
  Al  Al70  1  0.253328  0.716542  0.458739  1
  Al  Al71  1  0.253328  0.333473  0.471281  1
  Al  Al72  1  0.253328  0.749519  0.516945  1
  Al  Al73  1  0.753328  0.311542  0.618857  1
  Al  Al74  1  0.753328  0.893006  0.573907  1
  Al  Al75  1  0.511966  0.043209  0.621989  1
  Al  Al76  1  0.510273  0.626457  0.576537  1
  Al  Al77  1  0.994690  0.043209  0.621989  1
  Al  Al78  1  0.996383  0.626457  0.576537  1
  Al  Al79  1  0.494966  0.412197  0.557508  1
  Al  Al80  1  0.494374  0.827452  0.603259  1
  Al  Al81  1  0.511679  0.029859  0.565842  1
  Al  Al82  1  0.510803  0.446963  0.611919  1
  Al  Al83  1  0.011610  0.231701  0.592214  1
  Al  Al84  1  0.011253  0.814856  0.546886  1
  Al  Al85  1  0.994977  0.029859  0.565842  1
  Al  Al86  1  0.995853  0.446963  0.611919  1
  Al  Al87  1  0.495046  0.231701  0.592214  1
  Al  Al88  1  0.495402  0.814856  0.546886  1
  Al  Al89  1  0.011690  0.412197  0.557508  1
  Al  Al90  1  0.012282  0.827452  0.603259  1
  Al  Al91  1  0.753328  0.276433  0.560793  1
  Al  Al92  1  0.753328  0.690437  0.605562  1
  Al  Al93  1  0.253328  0.965085  0.594788  1
  Al  Al94  1  0.253328  0.548987  0.549772  1
  Al  Al95  1  0.253328  0.166411  0.562437  1
  Al  Al96  1  0.253328  0.582848  0.608276  1
  Al  Al97  1  0.753328  0.128884  0.709794  1
  Al  Al98  1  0.753328  0.723712  0.659923  1
  Al  Al99  1  0.525306  0.891251  0.715424  1
  Al  Al100  1  0.515654  0.460629  0.668697  1
  Al  Al101  1  0.981350  0.891251  0.715424  1
  Al  Al102  1  0.991002  0.460629  0.668697  1
  Al  Al103  1  0.496366  0.248523  0.648110  1
  Al  Al104  1  0.483343  0.653401  0.699612  1
  Al  Al105  1  0.509151  0.860779  0.657899  1
  Al  Al106  1  0.502180  0.277596  0.703619  1
  Al  Al107  1  0.008413  0.068470  0.682083  1
  Al  Al108  1  0.013597  0.646544  0.638581  1
  Al  Al109  1  0.997505  0.860779  0.657899  1
  Al  Al110  1  0.004476  0.277596  0.703619  1
  Al  Al111  1  0.498243  0.068470  0.682083  1
  Al  Al112  1  0.493059  0.646544  0.638581  1
  Al  Al113  1  0.010290  0.248523  0.648110  1
  Al  Al114  1  0.023313  0.653401  0.699612  1
  Al  Al115  1  0.753328  0.113795  0.650623  1
  Al  Al116  1  0.753328  0.522693  0.700527  1
  Al  Al117  1  0.253328  0.792569  0.686136  1
  Al  Al118  1  0.253328  0.382697  0.641199  1
  Al  Al119  1  0.253328  0.995890  0.651099  1
  Al  Al120  1  0.253328  0.424467  0.700085  1
  Ni  Ni121  1  0.753328  0.604729  0.321743  1
  Ni  Ni122  1  0.753328  0.193985  0.284454  1
  Ni  Ni123  1  0.753328  0.413390  0.353773  1
  Ni  Ni124  1  0.753328  0.996200  0.311200  1
  Ni  Ni125  1  0.253328  0.678237  0.346985  1
  Ni  Ni126  1  0.253328  0.256206  0.305201  1
  Ni  Ni127  1  0.253328  0.868459  0.314379  1
  Ni  Ni128  1  0.253328  0.438364  0.279053  1
  Ni  Ni129  1  0.753328  0.433684  0.411674  1
  Ni  Ni130  1  0.753328  0.015589  0.365965  1
  Ni  Ni131  1  0.753328  0.244765  0.445827  1
  Ni  Ni132  1  0.753328  0.827579  0.399848  1
  Ni  Ni133  1  0.253328  0.511199  0.438461  1
  Ni  Ni134  1  0.253328  0.093533  0.393096  1
  Ni  Ni135  1  0.253328  0.700591  0.404474  1
  Ni  Ni136  1  0.253328  0.282662  0.358799  1
  Ni  Ni137  1  0.753328  0.265955  0.502692  1
  Ni  Ni138  1  0.753328  0.849407  0.457212  1
  Ni  Ni139  1  0.753328  0.077587  0.536664  1
  Ni  Ni140  1  0.753328  0.660977  0.491192  1
  Ni  Ni141  1  0.253328  0.343606  0.529567  1
  Ni  Ni142  1  0.253328  0.927059  0.484087  1
  Ni  Ni143  1  0.253328  0.532036  0.495588  1
  Ni  Ni144  1  0.253328  0.115426  0.450115  1
  Ni  Ni145  1  0.753328  0.099481  0.593683  1
  Ni  Ni146  1  0.753328  0.681815  0.548319  1
  Ni  Ni147  1  0.753328  0.910352  0.627980  1
  Ni  Ni148  1  0.753328  0.492422  0.582306  1
  Ni  Ni149  1  0.253328  0.177425  0.620814  1
  Ni  Ni150  1  0.253328  0.759330  0.575105  1
  Ni  Ni151  1  0.253328  0.365434  0.586931  1
  Ni  Ni152  1  0.253328  0.948249  0.540952  1
  Ni  Ni153  1  0.753328  0.936808  0.681578  1
  Ni  Ni154  1  0.753328  0.514776  0.639794  1
  Ni  Ni155  1  0.753328  0.754650  0.707727  1
  Ni  Ni156  1  0.753328  0.324555  0.672400  1
  Ni  Ni157  1  0.253328  0.999029  0.702326  1
  Ni  Ni158  1  0.253328  0.588285  0.665037  1
  Ni  Ni159  1  0.253328  0.196814  0.675580  1
  Ni  Ni160  1  0.253328  0.779624  0.633006  1
