# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85319227
_cell_length_b   14.26117881
_cell_length_c   46.12428737
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al63 Ni42'
_cell_volume   3192.36537429
_cell_formula_units_Z   21
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  0.401061  0.671626  0.320042  1
  Al  Al2  1  0.632515  0.396161  0.298269  1
  Al  Al3  1  0.589065  0.128448  0.279322  1
  Al  Al4  1  0.866609  0.596436  0.293883  1
  Al  Al5  1  0.870313  0.092358  0.331829  1
  Al  Al6  1  0.847734  0.802083  0.306579  1
  Al  Al7  1  0.141305  0.506489  0.336966  1
  Al  Al8  1  0.164285  0.252295  0.308209  1
  Al  Al9  1  0.157710  0.986666  0.291885  1
  Al  Al10  1  0.508370  0.475715  0.383945  1
  Al  Al11  1  0.456395  0.207709  0.364390  1
  Al  Al12  1  0.496289  0.941144  0.344740  1
  Al  Al13  1  0.868087  0.352726  0.351390  1
  Al  Al14  1  0.844007  0.900417  0.391993  1
  Al  Al15  1  0.846504  0.632071  0.368049  1
  Al  Al16  1  0.156382  0.326164  0.398780  1
  Al  Al17  1  0.153523  0.052920  0.378822  1
  Al  Al18  1  0.137285  0.789888  0.357922  1
  Al  Al19  1  0.504501  0.286342  0.447535  1
  Al  Al20  1  0.505513  0.015902  0.427035  1
  Al  Al21  1  0.506521  0.746205  0.405087  1
  Al  Al22  1  0.854501  0.170956  0.412699  1
  Al  Al23  1  0.851086  0.706376  0.454088  1
  Al  Al24  1  0.852684  0.439167  0.433447  1
  Al  Al25  1  0.152294  0.131825  0.461569  1
  Al  Al26  1  0.148466  0.862008  0.440553  1
  Al  Al27  1  0.149219  0.593764  0.418240  1
  Al  Al28  1  0.505430  0.093393  0.509911  1
  Al  Al29  1  0.499841  0.822825  0.489043  1
  Al  Al30  1  0.503539  0.554694  0.467714  1
  Al  Al31  1  0.851725  0.976860  0.475331  1
  Al  Al32  1  0.854357  0.515431  0.517021  1
  Al  Al33  1  0.853768  0.247260  0.496408  1
  Al  Al34  1  0.152630  0.939199  0.523769  1
  Al  Al35  1  0.153222  0.670116  0.502513  1
  Al  Al36  1  0.153721  0.401499  0.481612  1
  Al  Al37  1  0.507679  0.900840  0.572143  1
  Al  Al38  1  0.504399  0.630912  0.551406  1
  Al  Al39  1  0.502342  0.362145  0.530899  1
  Al  Al40  1  0.854270  0.784147  0.537719  1
  Al  Al41  1  0.857437  0.323621  0.580462  1
  Al  Al42  1  0.852193  0.054285  0.558411  1
  Al  Al43  1  0.151195  0.746421  0.587302  1
  Al  Al44  1  0.155961  0.477345  0.564992  1
  Al  Al45  1  0.153903  0.209378  0.544766  1
  Al  Al46  1  0.574582  0.706936  0.635212  1
  Al  Al47  1  0.487501  0.440124  0.614294  1
  Al  Al48  1  0.508736  0.169480  0.593627  1
  Al  Al49  1  0.853922  0.588406  0.599613  1
  Al  Al50  1  0.866121  0.117958  0.642695  1
  Al  Al51  1  0.856376  0.869788  0.622865  1
  Al  Al52  1  0.143666  0.569858  0.646983  1
  Al  Al53  1  0.157464  0.281792  0.630341  1
  Al  Al54  1  0.154164  0.017413  0.605435  1
  Al  Al55  1  0.332385  0.514906  0.700586  1
  Al  Al56  1  0.615315  0.248312  0.678809  1
  Al  Al57  1  0.421538  0.976024  0.655638  1
  Al  Al58  1  0.877041  0.411041  0.660162  1
  Al  Al59  1  0.903037  0.950019  0.690991  1
  Al  Al60  1  0.860420  0.649679  0.691154  1
  Al  Al61  1  0.143384  0.323562  0.704921  1
  Al  Al62  1  0.147154  0.125919  0.693180  1
  Al  Al63  1  0.146317  0.804354  0.666280  1
  Ni  Ni64  1  0.357378  0.537018  0.288679  1
  Ni  Ni65  1  0.365267  0.094515  0.327983  1
  Ni  Ni66  1  0.342614  0.833346  0.308903  1
  Ni  Ni67  1  0.640789  0.516357  0.335726  1
  Ni  Ni68  1  0.664629  0.240651  0.318280  1
  Ni  Ni69  1  0.665580  0.968928  0.297558  1
  Ni  Ni70  1  0.369930  0.360919  0.347145  1
  Ni  Ni71  1  0.345348  0.900292  0.392733  1
  Ni  Ni72  1  0.345987  0.630829  0.370417  1
  Ni  Ni73  1  0.654331  0.322019  0.398666  1
  Ni  Ni74  1  0.652646  0.056935  0.378760  1
  Ni  Ni75  1  0.635824  0.783326  0.355733  1
  Ni  Ni76  1  0.352295  0.170071  0.413560  1
  Ni  Ni77  1  0.349736  0.707886  0.453718  1
  Ni  Ni78  1  0.352344  0.440352  0.432921  1
  Ni  Ni79  1  0.654686  0.131997  0.461492  1
  Ni  Ni80  1  0.650210  0.860985  0.440581  1
  Ni  Ni81  1  0.652495  0.592394  0.418522  1
  Ni  Ni82  1  0.350416  0.977462  0.475324  1
  Ni  Ni83  1  0.353307  0.516125  0.516494  1
  Ni  Ni84  1  0.352237  0.247469  0.496073  1
  Ni  Ni85  1  0.653909  0.938541  0.523633  1
  Ni  Ni86  1  0.654528  0.669236  0.502787  1
  Ni  Ni87  1  0.654967  0.401150  0.482191  1
  Ni  Ni88  1  0.351381  0.784796  0.537834  1
  Ni  Ni89  1  0.354058  0.322850  0.579917  1
  Ni  Ni90  1  0.353003  0.055279  0.558150  1
  Ni  Ni91  1  0.656434  0.747383  0.585964  1
  Ni  Ni92  1  0.655277  0.476086  0.565626  1
  Ni  Ni93  1  0.655554  0.208865  0.544956  1
  Ni  Ni94  1  0.357410  0.595560  0.600067  1
  Ni  Ni95  1  0.368843  0.135704  0.643011  1
  Ni  Ni96  1  0.359342  0.857985  0.620131  1
  Ni  Ni97  1  0.637834  0.552201  0.651325  1
  Ni  Ni98  1  0.661063  0.284471  0.628133  1
  Ni  Ni99  1  0.648206  0.015090  0.607672  1
  Ni  Ni100  1  0.373666  0.398884  0.662357  1
  Ni  Ni101  1  0.389185  0.932416  0.704807  1
  Ni  Ni102  1  0.373407  0.671464  0.683402  1
  Ni  Ni103  1  0.658475  0.387462  0.708900  1
  Ni  Ni104  1  0.636452  0.087322  0.690396  1
  Ni  Ni105  1  0.646617  0.820311  0.671198  1
