# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42675426
_cell_length_b   15.87974318
_cell_length_c   50.83516630
_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   5187.99342199
_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  0.012895  0.809482  0.320745  1
  Al  Al2  1  0.009603  0.364075  0.278810  1
  Al  Al3  1  0.213597  0.931308  0.283829  1
  Al  Al4  1  0.186767  0.395788  0.326896  1
  Al  Al5  1  0.179701  0.669076  0.351152  1
  Al  Al6  1  0.186491  0.215815  0.304133  1
  Al  Al7  1  0.331582  0.944033  0.331349  1
  Al  Al8  1  0.311893  0.496832  0.287506  1
  Al  Al9  1  0.684332  0.875763  0.347061  1
  Al  Al10  1  0.675718  0.425335  0.303159  1
  Al  Al11  1  0.834519  0.149113  0.324979  1
  Al  Al12  1  0.883045  0.692217  0.284007  1
  Al  Al13  1  0.676639  0.693874  0.330003  1
  Al  Al14  1  0.665133  0.241382  0.285529  1
  Al  Al15  1  0.823739  0.967050  0.305513  1
  Al  Al16  1  0.823232  0.420464  0.351779  1
  Al  Al17  1  0.327090  0.126764  0.346717  1
  Al  Al18  1  0.310033  0.675058  0.300822  1
  Al  Al19  1  0.553410  0.825826  0.294466  1
  Al  Al20  1  0.515275  0.286445  0.335493  1
  Al  Al21  1  0.995130  0.012195  0.357769  1
  Al  Al22  1  0.975219  0.553172  0.315685  1
  Al  Al23  1  0.496474  0.075212  0.298008  1
  Al  Al24  1  0.491322  0.533341  0.340640  1
  Al  Al25  1  0.020097  0.713287  0.409531  1
  Al  Al26  1  0.024312  0.258979  0.363250  1
  Al  Al27  1  0.181212  0.852386  0.370755  1
  Al  Al28  1  0.186072  0.307167  0.415842  1
  Al  Al29  1  0.185016  0.578373  0.443315  1
  Al  Al30  1  0.183536  0.123734  0.396850  1
  Al  Al31  1  0.327592  0.851627  0.420426  1
  Al  Al32  1  0.332214  0.396816  0.375038  1
  Al  Al33  1  0.685384  0.784772  0.439131  1
  Al  Al34  1  0.687951  0.330199  0.392940  1
  Al  Al35  1  0.825758  0.057606  0.415936  1
  Al  Al36  1  0.826559  0.602679  0.369963  1
  Al  Al37  1  0.686921  0.601632  0.420460  1
  Al  Al38  1  0.689069  0.147942  0.374178  1
  Al  Al39  1  0.822139  0.874669  0.397541  1
  Al  Al40  1  0.826664  0.328180  0.443241  1
  Al  Al41  1  0.325507  0.034864  0.438662  1
  Al  Al42  1  0.327654  0.581114  0.393219  1
  Al  Al43  1  0.513819  0.741039  0.381278  1
  Al  Al44  1  0.519478  0.194943  0.426907  1
  Al  Al45  1  0.992446  0.922570  0.450031  1
  Al  Al46  1  0.993762  0.468226  0.404352  1
  Al  Al47  1  0.490790  0.986565  0.386322  1
  Al  Al48  1  0.493787  0.440419  0.432241  1
  Al  Al49  1  0.018967  0.621793  0.500949  1
  Al  Al50  1  0.018727  0.167402  0.454990  1
  Al  Al51  1  0.185500  0.761803  0.461821  1
  Al  Al52  1  0.185933  0.215754  0.507391  1
  Al  Al53  1  0.184630  0.486637  0.534748  1
  Al  Al54  1  0.185025  0.032467  0.488925  1
  Al  Al55  1  0.327603  0.759695  0.511945  1
  Al  Al56  1  0.328164  0.305299  0.465961  1
  Al  Al57  1  0.684369  0.692916  0.530688  1
  Al  Al58  1  0.684930  0.238519  0.484704  1
  Al  Al59  1  0.827508  0.965748  0.507725  1
  Al  Al60  1  0.827903  0.511577  0.461902  1
  Al  Al61  1  0.685710  0.509580  0.511983  1
  Al  Al62  1  0.685451  0.055458  0.466228  1
  Al  Al63  1  0.826600  0.782461  0.489258  1
  Al  Al64  1  0.827034  0.236412  0.534828  1
  Al  Al65  1  0.327083  0.942756  0.530421  1
  Al  Al66  1  0.326823  0.488634  0.484666  1
  Al  Al67  1  0.519284  0.649497  0.472999  1
  Al  Al68  1  0.519064  0.103500  0.518552  1
  Al  Al69  1  0.993806  0.830813  0.541659  1
  Al  Al70  1  0.993566  0.376421  0.495700  1
  Al  Al71  1  0.493470  0.894714  0.478097  1
  Al  Al72  1  0.493250  0.348718  0.523651  1
  Al  Al73  1  0.018771  0.529989  0.592298  1
  Al  Al74  1  0.020087  0.075645  0.546618  1
  Al  Al75  1  0.185870  0.670035  0.553408  1
  Al  Al76  1  0.190394  0.123546  0.599109  1
  Al  Al77  1  0.185975  0.395536  0.626686  1
  Al  Al78  1  0.186775  0.940608  0.580713  1
  Al  Al79  1  0.324583  0.668015  0.603709  1
  Al  Al80  1  0.327149  0.213442  0.557518  1
  Al  Al81  1  0.680319  0.601399  0.621611  1
  Al  Al82  1  0.684941  0.146588  0.576223  1
  Al  Al83  1  0.828998  0.874480  0.599799  1
  Al  Al84  1  0.827517  0.419841  0.553334  1
  Al  Al85  1  0.684879  0.417100  0.603430  1
  Al  Al86  1  0.687027  0.963350  0.557987  1
  Al  Al87  1  0.826461  0.691047  0.580808  1
  Al  Al88  1  0.831321  0.145829  0.625895  1
  Al  Al89  1  0.323464  0.850273  0.622471  1
  Al  Al90  1  0.325612  0.396583  0.576189  1
  Al  Al91  1  0.518746  0.557796  0.564408  1
  Al  Al92  1  0.521743  0.011650  0.610327  1
  Al  Al93  1  0.988221  0.739235  0.633399  1
  Al  Al94  1  0.992436  0.284928  0.587119  1
  Al  Al95  1  0.493056  0.803272  0.569742  1
  Al  Al96  1  0.498714  0.257175  0.615372  1
  Al  Al97  1  0.037314  0.445043  0.680965  1
  Al  Al98  1  0.017404  0.986020  0.638880  1
  Al  Al99  1  0.189302  0.577751  0.644870  1
  Al  Al100  1  0.188794  0.031164  0.691136  1
  Al  Al101  1  0.129488  0.305997  0.712642  1
  Al  Al102  1  0.178014  0.849102  0.671670  1
  Al  Al103  1  0.336816  0.572879  0.693490  1
  Al  Al104  1  0.328202  0.122451  0.649588  1
  Al  Al105  1  0.700640  0.501382  0.709143  1
  Al  Al106  1  0.680951  0.054182  0.665301  1
  Al  Al107  1  0.826042  0.782400  0.692516  1
  Al  Al108  1  0.832833  0.329139  0.645498  1
  Al  Al109  1  0.702501  0.323156  0.695827  1
  Al  Al110  1  0.685443  0.871450  0.649932  1
  Al  Al111  1  0.825766  0.602427  0.669753  1
  Al  Al112  1  0.798937  0.066906  0.712820  1
  Al  Al113  1  0.347401  0.756832  0.711120  1
  Al  Al114  1  0.335895  0.304341  0.666646  1
  Al  Al115  1  0.521212  0.464873  0.656009  1
  Al  Al116  1  0.516060  0.923003  0.698641  1
  Al  Al117  1  1.002930  0.634139  0.717839  1
  Al  Al118  1  0.999639  0.188732  0.675904  1
  Al  Al119  1  0.497259  0.711769  0.661156  1
  Al  Al120  1  0.459123  0.172389  0.702183  1
  Ni  Ni121  1  0.901043  0.845686  0.275784  1
  Ni  Ni122  1  0.880122  0.302830  0.320460  1
  Ni  Ni123  1  0.375351  0.788770  0.334649  1
  Ni  Ni124  1  0.377658  0.340483  0.289523  1
  Ni  Ni125  1  0.129542  0.059291  0.310919  1
  Ni  Ni126  1  0.131005  0.514541  0.357830  1
  Ni  Ni127  1  0.633195  0.030957  0.342756  1
  Ni  Ni128  1  0.627697  0.581411  0.296638  1
  Ni  Ni129  1  0.879310  0.756951  0.365816  1
  Ni  Ni130  1  0.884271  0.211734  0.410618  1
  Ni  Ni131  1  0.384402  0.696987  0.425878  1
  Ni  Ni132  1  0.386047  0.241991  0.379814  1
  Ni  Ni133  1  0.126273  0.969657  0.402701  1
  Ni  Ni134  1  0.129295  0.423756  0.448554  1
  Ni  Ni135  1  0.627957  0.939304  0.433767  1
  Ni  Ni136  1  0.629860  0.485179  0.388117  1
  Ni  Ni137  1  0.883510  0.666069  0.456674  1
  Ni  Ni138  1  0.883710  0.120076  0.502301  1
  Ni  Ni139  1  0.383245  0.605181  0.517252  1
  Ni  Ni140  1  0.383254  0.150979  0.471282  1
  Ni  Ni141  1  0.128823  0.878138  0.494348  1
  Ni  Ni142  1  0.129023  0.332146  0.539975  1
  Ni  Ni143  1  0.629279  0.847236  0.525368  1
  Ni  Ni144  1  0.629288  0.393033  0.479397  1
  Ni  Ni145  1  0.883238  0.574458  0.548095  1
  Ni  Ni146  1  0.886260  0.028558  0.593948  1
  Ni  Ni147  1  0.382673  0.513036  0.608532  1
  Ni  Ni148  1  0.384576  0.058911  0.562883  1
  Ni  Ni149  1  0.128262  0.786481  0.586031  1
  Ni  Ni150  1  0.133224  0.241264  0.630833  1
  Ni  Ni151  1  0.626486  0.756223  0.616835  1
  Ni  Ni152  1  0.628132  0.301228  0.570771  1
  Ni  Ni153  1  0.881529  0.483674  0.638819  1
  Ni  Ni154  1  0.882992  0.938923  0.685730  1
  Ni  Ni155  1  0.384836  0.416804  0.700011  1
  Ni  Ni156  1  0.379339  0.967257  0.653893  1
  Ni  Ni157  1  0.132412  0.695385  0.676190  1
  Ni  Ni158  1  0.111490  0.152529  0.720865  1
  Ni  Ni159  1  0.634875  0.657732  0.707126  1
  Ni  Ni160  1  0.637183  0.209444  0.662000  1
