# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87056731
_cell_length_b   24.42753990
_cell_length_c   53.00514029
_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   'Al144 Ni48'
_cell_volume   6306.33837157
_cell_formula_units_Z   48
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  0.607638  0.601431  0.357960  1
  Al  Al2  1  0.592219  0.813920  0.288779  1
  Al  Al3  1  0.620826  0.209964  0.322131  1
  Al  Al4  1  0.123229  0.599728  0.325787  1
  Al  Al5  1  0.127945  0.992508  0.363036  1
  Al  Al6  1  0.156438  0.205966  0.289144  1
  Al  Al7  1  0.128086  0.670391  0.368793  1
  Al  Al8  1  0.112652  0.882256  0.294418  1
  Al  Al9  1  0.141881  0.274883  0.333497  1
  Al  Al10  1  0.624627  0.610926  0.302210  1
  Al  Al11  1  0.626436  0.001875  0.341339  1
  Al  Al12  1  0.639493  0.398322  0.376590  1
  Al  Al13  1  0.351594  0.705966  0.289144  1
  Al  Al14  1  0.384803  0.099728  0.325787  1
  Al  Al15  1  0.380087  0.492508  0.363036  1
  Al  Al16  1  0.871825  0.826917  0.334658  1
  Al  Al17  1  0.879803  0.220160  0.371043  1
  Al  Al18  1  0.896514  0.433927  0.296881  1
  Al  Al19  1  0.366151  0.774883  0.333497  1
  Al  Al20  1  0.379946  0.170391  0.368793  1
  Al  Al21  1  0.395380  0.382256  0.294418  1
  Al  Al22  1  0.868540  0.898322  0.376590  1
  Al  Al23  1  0.883405  0.110926  0.302210  1
  Al  Al24  1  0.881597  0.501875  0.341339  1
  Al  Al25  1  0.628229  0.720160  0.371043  1
  Al  Al26  1  0.611519  0.933927  0.296881  1
  Al  Al27  1  0.636208  0.326917  0.334658  1
  Al  Al28  1  0.887207  0.709964  0.322131  1
  Al  Al29  1  0.900395  0.101431  0.357960  1
  Al  Al30  1  0.915814  0.313920  0.288779  1
  Al  Al31  1  0.389469  0.892730  0.343167  1
  Al  Al32  1  0.406886  0.288899  0.381562  1
  Al  Al33  1  0.395966  0.500944  0.308406  1
  Al  Al34  1  0.101146  0.788899  0.381562  1
  Al  Al35  1  0.112066  0.000944  0.308406  1
  Al  Al36  1  0.118564  0.392730  0.343167  1
  Al  Al37  1  0.607041  0.784985  0.470324  1
  Al  Al38  1  0.603078  0.996774  0.396137  1
  Al  Al39  1  0.611517  0.390497  0.433028  1
  Al  Al40  1  0.127495  0.781534  0.437372  1
  Al  Al41  1  0.130055  0.175709  0.474418  1
  Al  Al42  1  0.137408  0.387481  0.399939  1
  Al  Al43  1  0.128784  0.852847  0.480543  1
  Al  Al44  1  0.127390  0.064314  0.406076  1
  Al  Al45  1  0.133479  0.458452  0.443403  1
  Al  Al46  1  0.626662  0.791697  0.414355  1
  Al  Al47  1  0.630333  0.185858  0.451402  1
  Al  Al48  1  0.632751  0.580360  0.488426  1
  Al  Al49  1  0.370625  0.887481  0.399939  1
  Al  Al50  1  0.380537  0.281534  0.437372  1
  Al  Al51  1  0.377977  0.675709  0.474418  1
  Al  Al52  1  0.875166  0.009126  0.445089  1
  Al  Al53  1  0.879214  0.403460  0.482185  1
  Al  Al54  1  0.878960  0.614900  0.407646  1
  Al  Al55  1  0.374553  0.958452  0.443403  1
  Al  Al56  1  0.379248  0.352847  0.480543  1
  Al  Al57  1  0.380642  0.564314  0.406076  1
  Al  Al58  1  0.875282  0.080360  0.488426  1
  Al  Al59  1  0.881371  0.291697  0.414355  1
  Al  Al60  1  0.877699  0.685858  0.451402  1
  Al  Al61  1  0.628818  0.903460  0.482185  1
  Al  Al62  1  0.629073  0.114900  0.407646  1
  Al  Al63  1  0.632866  0.509126  0.445089  1
  Al  Al64  1  0.896516  0.890497  0.433028  1
  Al  Al65  1  0.900991  0.284985  0.470324  1
  Al  Al66  1  0.904955  0.496774  0.396137  1
  Al  Al67  1  0.398506  0.076931  0.455189  1
  Al  Al68  1  0.402016  0.471315  0.492489  1
  Al  Al69  1  0.398759  0.682542  0.418299  1
  Al  Al70  1  0.106017  0.971315  0.492489  1
  Al  Al71  1  0.109273  0.182542  0.418299  1
  Al  Al72  1  0.109526  0.576931  0.455189  1
  Al  Al73  1  0.609273  0.967871  0.581704  1
  Al  Al74  1  0.606017  0.179097  0.507513  1
  Al  Al75  1  0.609526  0.573482  0.544813  1
  Al  Al76  1  0.130333  0.964555  0.548600  1
  Al  Al77  1  0.126662  0.358716  0.585647  1
  Al  Al78  1  0.132751  0.570053  0.511576  1
  Al  Al79  1  0.129073  0.035512  0.592356  1
  Al  Al80  1  0.128818  0.246953  0.517817  1
  Al  Al81  1  0.132866  0.641287  0.554914  1
  Al  Al82  1  0.630055  0.974704  0.525584  1
  Al  Al83  1  0.627495  0.368878  0.562630  1
  Al  Al84  1  0.637408  0.762932  0.600063  1
  Al  Al85  1  0.375282  0.070053  0.511576  1
  Al  Al86  1  0.377699  0.464555  0.548600  1
  Al  Al87  1  0.381371  0.858716  0.585647  1
  Al  Al88  1  0.874553  0.191960  0.556599  1
  Al  Al89  1  0.880642  0.586099  0.593926  1
  Al  Al90  1  0.879248  0.797566  0.519459  1
  Al  Al91  1  0.375166  0.141287  0.554914  1
  Al  Al92  1  0.378960  0.535512  0.592356  1
  Al  Al93  1  0.379214  0.746953  0.517817  1
  Al  Al94  1  0.870625  0.262932  0.600063  1
  Al  Al95  1  0.877977  0.474704  0.525584  1
  Al  Al96  1  0.880537  0.868878  0.562630  1
  Al  Al97  1  0.627390  0.086099  0.593926  1
  Al  Al98  1  0.628784  0.297566  0.519459  1
  Al  Al99  1  0.633479  0.691960  0.556599  1
  Al  Al100  1  0.898506  0.073482  0.544813  1
  Al  Al101  1  0.898759  0.467871  0.581704  1
  Al  Al102  1  0.902016  0.679097  0.507513  1
  Al  Al103  1  0.396516  0.259916  0.566975  1
  Al  Al104  1  0.404955  0.653639  0.603865  1
  Al  Al105  1  0.400991  0.865427  0.529678  1
  Al  Al106  1  0.103078  0.153639  0.603865  1
  Al  Al107  1  0.107041  0.365427  0.529678  1
  Al  Al108  1  0.111517  0.759916  0.566975  1
  Al  Al109  1  0.612066  0.149469  0.691596  1
  Al  Al110  1  0.601146  0.361514  0.618440  1
  Al  Al111  1  0.618564  0.757683  0.656835  1
  Al  Al112  1  0.126436  0.148538  0.658663  1
  Al  Al113  1  0.124627  0.539486  0.697792  1
  Al  Al114  1  0.139493  0.752090  0.623412  1
  Al  Al115  1  0.111519  0.216486  0.703121  1
  Al  Al116  1  0.128229  0.430253  0.628959  1
  Al  Al117  1  0.136208  0.823496  0.665344  1
  Al  Al118  1  0.627945  0.157904  0.636966  1
  Al  Al119  1  0.623229  0.550685  0.674216  1
  Al  Al120  1  0.656438  0.944447  0.710858  1
  Al  Al121  1  0.368540  0.252090  0.623412  1
  Al  Al122  1  0.381597  0.648538  0.658663  1
  Al  Al123  1  0.383405  0.039486  0.697792  1
  Al  Al124  1  0.866151  0.375530  0.666505  1
  Al  Al125  1  0.895380  0.768157  0.705584  1
  Al  Al126  1  0.879946  0.980022  0.631209  1
  Al  Al127  1  0.371825  0.323496  0.665344  1
  Al  Al128  1  0.396514  0.716486  0.703121  1
  Al  Al129  1  0.379803  0.930253  0.628959  1
  Al  Al130  1  0.851594  0.444447  0.710858  1
  Al  Al131  1  0.880087  0.657904  0.636966  1
  Al  Al132  1  0.884803  0.050685  0.674216  1
  Al  Al133  1  0.612652  0.268157  0.705584  1
  Al  Al134  1  0.628086  0.480022  0.631209  1
  Al  Al135  1  0.641881  0.875530  0.666505  1
  Al  Al136  1  0.889469  0.257683  0.656835  1
  Al  Al137  1  0.895966  0.649469  0.691596  1
  Al  Al138  1  0.906886  0.861514  0.618440  1
  Al  Al139  1  0.387207  0.440449  0.677871  1
  Al  Al140  1  0.415814  0.836493  0.711223  1
  Al  Al141  1  0.400395  0.048982  0.642042  1
  Al  Al142  1  0.092219  0.336493  0.711223  1
  Al  Al143  1  0.107638  0.548982  0.642042  1
  Al  Al144  1  0.120826  0.940449  0.677871  1
  Ni  Ni145  1  0.077075  0.785538  0.296690  1
  Ni  Ni146  1  0.087043  0.177313  0.332210  1
  Ni  Ni147  1  0.087141  0.571728  0.369338  1
  Ni  Ni148  1  0.420990  0.677313  0.332210  1
  Ni  Ni149  1  0.420891  0.071728  0.369338  1
  Ni  Ni150  1  0.430957  0.285538  0.296690  1
  Ni  Ni151  1  0.902075  0.530599  0.298912  1
  Ni  Ni152  1  0.916763  0.924823  0.332555  1
  Ni  Ni153  1  0.932785  0.319171  0.370820  1
  Ni  Ni154  1  0.575247  0.819171  0.370820  1
  Ni  Ni155  1  0.605958  0.030599  0.298912  1
  Ni  Ni156  1  0.591269  0.424823  0.332555  1
  Ni  Ni157  1  0.076822  0.965761  0.406758  1
  Ni  Ni158  1  0.085561  0.359999  0.443804  1
  Ni  Ni159  1  0.082802  0.754181  0.481123  1
  Ni  Ni160  1  0.422472  0.859999  0.443804  1
  Ni  Ni161  1  0.425230  0.254181  0.481123  1
  Ni  Ni162  1  0.431211  0.465761  0.406758  1
  Ni  Ni163  1  0.923853  0.713305  0.407630  1
  Ni  Ni164  1  0.923854  0.107573  0.444531  1
  Ni  Ni165  1  0.928101  0.501999  0.481771  1
  Ni  Ni166  1  0.579931  0.001999  0.481771  1
  Ni  Ni167  1  0.584180  0.213305  0.407630  1
  Ni  Ni168  1  0.584179  0.607573  0.444531  1
  Ni  Ni169  1  0.079931  0.148414  0.518231  1
  Ni  Ni170  1  0.084179  0.542840  0.555471  1
  Ni  Ni171  1  0.084180  0.937108  0.592372  1
  Ni  Ni172  1  0.423854  0.042840  0.555471  1
  Ni  Ni173  1  0.423853  0.437108  0.592372  1
  Ni  Ni174  1  0.428101  0.648414  0.518231  1
  Ni  Ni175  1  0.925230  0.896232  0.518879  1
  Ni  Ni176  1  0.922472  0.290414  0.556198  1
  Ni  Ni177  1  0.931211  0.684651  0.593245  1
  Ni  Ni178  1  0.576822  0.184651  0.593245  1
  Ni  Ni179  1  0.582802  0.396232  0.518879  1
  Ni  Ni180  1  0.585561  0.790414  0.556198  1
  Ni  Ni181  1  0.075247  0.331242  0.629182  1
  Ni  Ni182  1  0.091269  0.725590  0.667447  1
  Ni  Ni183  1  0.105958  0.119814  0.701090  1
  Ni  Ni184  1  0.416763  0.225590  0.667447  1
  Ni  Ni185  1  0.402075  0.619814  0.701090  1
  Ni  Ni186  1  0.432785  0.831242  0.629182  1
  Ni  Ni187  1  0.920891  0.078685  0.630664  1
  Ni  Ni188  1  0.920990  0.473100  0.667792  1
  Ni  Ni189  1  0.930957  0.864875  0.703312  1
  Ni  Ni190  1  0.577075  0.364875  0.703312  1
  Ni  Ni191  1  0.587141  0.578685  0.630664  1
  Ni  Ni192  1  0.587043  0.973100  0.667792  1
