# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76858152
_cell_length_b   24.71310175
_cell_length_c   54.04967406
_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   6369.56168703
_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  0.612916  0.618813  0.358106  1
  Al  Al2  1  0.586021  0.839219  0.292595  1
  Al  Al3  1  0.595782  0.225393  0.322340  1
  Al  Al4  1  0.137250  0.617505  0.325444  1
  Al  Al5  1  0.118968  0.011975  0.360614  1
  Al  Al6  1  0.093634  0.228277  0.290899  1
  Al  Al7  1  0.128355  0.691361  0.369064  1
  Al  Al8  1  0.102315  0.901729  0.294657  1
  Al  Al9  1  0.135282  0.294392  0.333685  1
  Al  Al10  1  0.638471  0.628952  0.304468  1
  Al  Al11  1  0.614975  0.023126  0.339181  1
  Al  Al12  1  0.631869  0.419972  0.376428  1
  Al  Al13  1  0.419767  0.728277  0.290899  1
  Al  Al14  1  0.376151  0.117505  0.325444  1
  Al  Al15  1  0.394434  0.511975  0.360614  1
  Al  Al16  1  0.892067  0.843359  0.334573  1
  Al  Al17  1  0.881307  0.240967  0.369866  1
  Al  Al18  1  0.918503  0.453660  0.296194  1
  Al  Al19  1  0.378120  0.794392  0.333685  1
  Al  Al20  1  0.385046  0.191361  0.369064  1
  Al  Al21  1  0.411086  0.401729  0.294657  1
  Al  Al22  1  0.881533  0.919972  0.376428  1
  Al  Al23  1  0.874931  0.128952  0.304468  1
  Al  Al24  1  0.898426  0.523126  0.339181  1
  Al  Al25  1  0.632095  0.740967  0.369866  1
  Al  Al26  1  0.594898  0.953660  0.296194  1
  Al  Al27  1  0.621335  0.343359  0.334573  1
  Al  Al28  1  0.917620  0.725393  0.322340  1
  Al  Al29  1  0.900485  0.118813  0.358106  1
  Al  Al30  1  0.927380  0.339219  0.292595  1
  Al  Al31  1  0.398790  0.912302  0.340552  1
  Al  Al32  1  0.414573  0.311932  0.380835  1
  Al  Al33  1  0.423464  0.520107  0.306872  1
  Al  Al34  1  0.098828  0.811932  0.380835  1
  Al  Al35  1  0.089937  0.020107  0.306872  1
  Al  Al36  1  0.114612  0.412302  0.340552  1
  Al  Al37  1  0.603752  0.808111  0.470718  1
  Al  Al38  1  0.598765  0.016287  0.395584  1
  Al  Al39  1  0.605209  0.412379  0.433139  1
  Al  Al40  1  0.124025  0.804101  0.436569  1
  Al  Al41  1  0.123083  0.199731  0.473681  1
  Al  Al42  1  0.129978  0.408694  0.399232  1
  Al  Al43  1  0.122598  0.879153  0.480611  1
  Al  Al44  1  0.119800  0.087708  0.405978  1
  Al  Al45  1  0.129435  0.483523  0.443119  1
  Al  Al46  1  0.623621  0.814898  0.414568  1
  Al  Al47  1  0.623323  0.210976  0.451634  1
  Al  Al48  1  0.629697  0.607164  0.488603  1
  Al  Al49  1  0.383423  0.908694  0.399232  1
  Al  Al50  1  0.389377  0.304101  0.436569  1
  Al  Al51  1  0.390318  0.699731  0.473681  1
  Al  Al52  1  0.883671  0.031973  0.443778  1
  Al  Al53  1  0.890817  0.428162  0.481275  1
  Al  Al54  1  0.891651  0.635695  0.406695  1
  Al  Al55  1  0.383966  0.983523  0.443119  1
  Al  Al56  1  0.390803  0.379153  0.480611  1
  Al  Al57  1  0.393601  0.587708  0.405978  1
  Al  Al58  1  0.883704  0.107164  0.488603  1
  Al  Al59  1  0.889781  0.314898  0.414568  1
  Al  Al60  1  0.890079  0.710976  0.451634  1
  Al  Al61  1  0.622585  0.928162  0.481275  1
  Al  Al62  1  0.621750  0.135695  0.406695  1
  Al  Al63  1  0.629730  0.531973  0.443778  1
  Al  Al64  1  0.908193  0.912379  0.433139  1
  Al  Al65  1  0.909650  0.308111  0.470718  1
  Al  Al66  1  0.914636  0.516287  0.395584  1
  Al  Al67  1  0.405716  0.103154  0.454070  1
  Al  Al68  1  0.413406  0.499160  0.491176  1
  Al  Al69  1  0.411397  0.707124  0.417165  1
  Al  Al70  1  0.099995  0.999160  0.491176  1
  Al  Al71  1  0.102004  0.207124  0.417165  1
  Al  Al72  1  0.107686  0.603154  0.454070  1
  Al  Al73  1  0.602004  0.995715  0.582172  1
  Al  Al74  1  0.599995  0.203678  0.508161  1
  Al  Al75  1  0.607686  0.599684  0.545267  1
  Al  Al76  1  0.123323  0.991862  0.547704  1
  Al  Al77  1  0.123621  0.387940  0.584769  1
  Al  Al78  1  0.129697  0.595674  0.510734  1
  Al  Al79  1  0.121750  0.067143  0.592642  1
  Al  Al80  1  0.122585  0.274676  0.518062  1
  Al  Al81  1  0.129730  0.670866  0.555559  1
  Al  Al82  1  0.623083  0.003108  0.525657  1
  Al  Al83  1  0.624025  0.398738  0.562768  1
  Al  Al84  1  0.629978  0.794145  0.600105  1
  Al  Al85  1  0.383704  0.095674  0.510734  1
  Al  Al86  1  0.390079  0.491862  0.547704  1
  Al  Al87  1  0.389781  0.887940  0.584769  1
  Al  Al88  1  0.883966  0.219315  0.556218  1
  Al  Al89  1  0.893601  0.615131  0.593359  1
  Al  Al90  1  0.890803  0.823685  0.518727  1
  Al  Al91  1  0.383671  0.170866  0.555559  1
  Al  Al92  1  0.391651  0.567143  0.592642  1
  Al  Al93  1  0.390817  0.774676  0.518062  1
  Al  Al94  1  0.883423  0.294145  0.600105  1
  Al  Al95  1  0.890318  0.503108  0.525657  1
  Al  Al96  1  0.889377  0.898738  0.562768  1
  Al  Al97  1  0.619800  0.115131  0.593359  1
  Al  Al98  1  0.622598  0.323685  0.518727  1
  Al  Al99  1  0.629435  0.719315  0.556218  1
  Al  Al100  1  0.905716  0.099684  0.545267  1
  Al  Al101  1  0.911397  0.495715  0.582172  1
  Al  Al102  1  0.913406  0.703678  0.508161  1
  Al  Al103  1  0.408193  0.290459  0.566198  1
  Al  Al104  1  0.414636  0.686552  0.603754  1
  Al  Al105  1  0.409650  0.894727  0.528619  1
  Al  Al106  1  0.098765  0.186552  0.603754  1
  Al  Al107  1  0.103752  0.394727  0.528619  1
  Al  Al108  1  0.105209  0.790459  0.566198  1
  Al  Al109  1  0.589937  0.182731  0.692465  1
  Al  Al110  1  0.598828  0.390906  0.618502  1
  Al  Al111  1  0.614612  0.790536  0.658785  1
  Al  Al112  1  0.114975  0.179713  0.660156  1
  Al  Al113  1  0.138471  0.573886  0.694869  1
  Al  Al114  1  0.131869  0.782866  0.622909  1
  Al  Al115  1  0.094898  0.249178  0.703143  1
  Al  Al116  1  0.132095  0.461871  0.629471  1
  Al  Al117  1  0.121335  0.859479  0.664764  1
  Al  Al118  1  0.618968  0.190863  0.638724  1
  Al  Al119  1  0.637250  0.585333  0.673893  1
  Al  Al120  1  0.593634  0.974561  0.708438  1
  Al  Al121  1  0.381533  0.282866  0.622909  1
  Al  Al122  1  0.398426  0.679713  0.660156  1
  Al  Al123  1  0.374931  0.073886  0.694869  1
  Al  Al124  1  0.878120  0.408446  0.665652  1
  Al  Al125  1  0.911086  0.801109  0.704680  1
  Al  Al126  1  0.885046  0.011477  0.630273  1
  Al  Al127  1  0.392067  0.359479  0.664764  1
  Al  Al128  1  0.418503  0.749178  0.703143  1
  Al  Al129  1  0.381307  0.961871  0.629471  1
  Al  Al130  1  0.919767  0.474561  0.708438  1
  Al  Al131  1  0.894434  0.690863  0.638724  1
  Al  Al132  1  0.876151  0.085333  0.673893  1
  Al  Al133  1  0.602315  0.301109  0.704680  1
  Al  Al134  1  0.628355  0.511477  0.630273  1
  Al  Al135  1  0.635282  0.908446  0.665652  1
  Al  Al136  1  0.898790  0.290536  0.658785  1
  Al  Al137  1  0.923464  0.682731  0.692465  1
  Al  Al138  1  0.914573  0.890906  0.618502  1
  Al  Al139  1  0.417620  0.477446  0.676997  1
  Al  Al140  1  0.427380  0.863619  0.706742  1
  Al  Al141  1  0.400485  0.084025  0.641231  1
  Al  Al142  1  0.086021  0.363619  0.706742  1
  Al  Al143  1  0.112916  0.584025  0.641231  1
  Al  Al144  1  0.095782  0.977446  0.676997  1
  Ni  Ni145  1  0.075818  0.801783  0.295895  1
  Ni  Ni146  1  0.079293  0.195514  0.333244  1
  Ni  Ni147  1  0.096843  0.590661  0.369100  1
  Ni  Ni148  1  0.434108  0.695514  0.333244  1
  Ni  Ni149  1  0.416558  0.090661  0.369100  1
  Ni  Ni150  1  0.437583  0.301783  0.295895  1
  Ni  Ni151  1  0.939241  0.552283  0.295136  1
  Ni  Ni152  1  0.907509  0.943387  0.331983  1
  Ni  Ni153  1  0.933345  0.341272  0.370192  1
  Ni  Ni154  1  0.580056  0.841272  0.370192  1
  Ni  Ni155  1  0.574161  0.052283  0.295136  1
  Ni  Ni156  1  0.605892  0.443387  0.331983  1
  Ni  Ni157  1  0.084764  0.987580  0.405850  1
  Ni  Ni158  1  0.090109  0.383099  0.443794  1
  Ni  Ni159  1  0.090011  0.778625  0.481160  1
  Ni  Ni160  1  0.423292  0.883099  0.443794  1
  Ni  Ni161  1  0.423391  0.278625  0.481160  1
  Ni  Ni162  1  0.428638  0.487580  0.405850  1
  Ni  Ni163  1  0.925473  0.735997  0.407000  1
  Ni  Ni164  1  0.920356  0.132262  0.443867  1
  Ni  Ni165  1  0.928056  0.528385  0.480910  1
  Ni  Ni166  1  0.585345  0.028385  0.480910  1
  Ni  Ni167  1  0.587928  0.235997  0.407000  1
  Ni  Ni168  1  0.593045  0.632262  0.443867  1
  Ni  Ni169  1  0.085345  0.174453  0.518427  1
  Ni  Ni170  1  0.093045  0.570576  0.555470  1
  Ni  Ni171  1  0.087928  0.966841  0.592338  1
  Ni  Ni172  1  0.420356  0.070576  0.555470  1
  Ni  Ni173  1  0.425473  0.466841  0.592338  1
  Ni  Ni174  1  0.428056  0.674453  0.518427  1
  Ni  Ni175  1  0.923391  0.924213  0.518177  1
  Ni  Ni176  1  0.923292  0.319740  0.555543  1
  Ni  Ni177  1  0.928638  0.715259  0.593487  1
  Ni  Ni178  1  0.584764  0.215259  0.593487  1
  Ni  Ni179  1  0.590011  0.424213  0.518177  1
  Ni  Ni180  1  0.590109  0.819740  0.555543  1
  Ni  Ni181  1  0.080056  0.361567  0.629145  1
  Ni  Ni182  1  0.105892  0.759452  0.667355  1
  Ni  Ni183  1  0.074161  0.150556  0.704201  1
  Ni  Ni184  1  0.407509  0.259452  0.667355  1
  Ni  Ni185  1  0.439241  0.650556  0.704201  1
  Ni  Ni186  1  0.433345  0.861567  0.629145  1
  Ni  Ni187  1  0.916558  0.112177  0.630237  1
  Ni  Ni188  1  0.934108  0.507324  0.666093  1
  Ni  Ni189  1  0.937583  0.901056  0.703442  1
  Ni  Ni190  1  0.575818  0.401056  0.703442  1
  Ni  Ni191  1  0.596843  0.612177  0.630237  1
  Ni  Ni192  1  0.579293  0.007324  0.666093  1
