# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85319223
_cell_length_b   14.26117877
_cell_length_c   46.12505407
_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   3192.41840739
_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  0.320037  1
  Al  Al2  1  0.632515  0.396161  0.298264  1
  Al  Al3  1  0.589065  0.128448  0.279317  1
  Al  Al4  1  0.866609  0.596436  0.293878  1
  Al  Al5  1  0.870313  0.092358  0.331824  1
  Al  Al6  1  0.847734  0.802083  0.306574  1
  Al  Al7  1  0.141305  0.506489  0.336960  1
  Al  Al8  1  0.164285  0.252295  0.308204  1
  Al  Al9  1  0.157710  0.986666  0.291880  1
  Al  Al10  1  0.508370  0.475715  0.383939  1
  Al  Al11  1  0.456395  0.207709  0.364383  1
  Al  Al12  1  0.496289  0.941144  0.344735  1
  Al  Al13  1  0.868087  0.352726  0.351384  1
  Al  Al14  1  0.844007  0.900417  0.391986  1
  Al  Al15  1  0.846504  0.632071  0.368042  1
  Al  Al16  1  0.156382  0.326164  0.398774  1
  Al  Al17  1  0.153523  0.052920  0.378816  1
  Al  Al18  1  0.137285  0.789888  0.357916  1
  Al  Al19  1  0.504501  0.286342  0.447527  1
  Al  Al20  1  0.505513  0.015902  0.427028  1
  Al  Al21  1  0.506521  0.746205  0.405081  1
  Al  Al22  1  0.854501  0.170956  0.412692  1
  Al  Al23  1  0.851086  0.706376  0.454080  1
  Al  Al24  1  0.852684  0.439167  0.433440  1
  Al  Al25  1  0.152294  0.131825  0.461561  1
  Al  Al26  1  0.148466  0.862008  0.440546  1
  Al  Al27  1  0.149219  0.593764  0.418233  1
  Al  Al28  1  0.505430  0.093393  0.509903  1
  Al  Al29  1  0.499841  0.822825  0.489035  1
  Al  Al30  1  0.503539  0.554694  0.467706  1
  Al  Al31  1  0.851725  0.976860  0.475323  1
  Al  Al32  1  0.854357  0.515431  0.517012  1
  Al  Al33  1  0.853768  0.247260  0.496400  1
  Al  Al34  1  0.152630  0.939199  0.523761  1
  Al  Al35  1  0.153222  0.670116  0.502505  1
  Al  Al36  1  0.153721  0.401499  0.481604  1
  Al  Al37  1  0.507679  0.900840  0.572133  1
  Al  Al38  1  0.504399  0.630912  0.551396  1
  Al  Al39  1  0.502342  0.362145  0.530891  1
  Al  Al40  1  0.854270  0.784147  0.537710  1
  Al  Al41  1  0.857437  0.323621  0.580452  1
  Al  Al42  1  0.852193  0.054285  0.558401  1
  Al  Al43  1  0.151195  0.746421  0.587292  1
  Al  Al44  1  0.155961  0.477345  0.564982  1
  Al  Al45  1  0.153903  0.209378  0.544757  1
  Al  Al46  1  0.574582  0.706936  0.635201  1
  Al  Al47  1  0.487501  0.440124  0.614283  1
  Al  Al48  1  0.508736  0.169480  0.593617  1
  Al  Al49  1  0.853922  0.588406  0.599603  1
  Al  Al50  1  0.866121  0.117958  0.642684  1
  Al  Al51  1  0.856376  0.869788  0.622855  1
  Al  Al52  1  0.143666  0.569858  0.646973  1
  Al  Al53  1  0.157464  0.281792  0.630331  1
  Al  Al54  1  0.154164  0.017413  0.605425  1
  Al  Al55  1  0.332385  0.514906  0.700574  1
  Al  Al56  1  0.615315  0.248312  0.678798  1
  Al  Al57  1  0.421538  0.976024  0.655627  1
  Al  Al58  1  0.877041  0.411041  0.660151  1
  Al  Al59  1  0.903037  0.950019  0.690979  1
  Al  Al60  1  0.860420  0.649679  0.691142  1
  Al  Al61  1  0.143384  0.323562  0.704909  1
  Al  Al62  1  0.147154  0.125919  0.693168  1
  Al  Al63  1  0.146317  0.804354  0.666269  1
  Ni  Ni64  1  0.357378  0.537018  0.288675  1
  Ni  Ni65  1  0.365267  0.094515  0.327977  1
  Ni  Ni66  1  0.342614  0.833346  0.308897  1
  Ni  Ni67  1  0.640789  0.516357  0.335721  1
  Ni  Ni68  1  0.664629  0.240651  0.318274  1
  Ni  Ni69  1  0.665580  0.968928  0.297553  1
  Ni  Ni70  1  0.369930  0.360919  0.347139  1
  Ni  Ni71  1  0.345348  0.900292  0.392727  1
  Ni  Ni72  1  0.345987  0.630829  0.370411  1
  Ni  Ni73  1  0.654331  0.322019  0.398659  1
  Ni  Ni74  1  0.652646  0.056935  0.378754  1
  Ni  Ni75  1  0.635824  0.783326  0.355727  1
  Ni  Ni76  1  0.352295  0.170071  0.413553  1
  Ni  Ni77  1  0.349736  0.707886  0.453710  1
  Ni  Ni78  1  0.352344  0.440352  0.432914  1
  Ni  Ni79  1  0.654686  0.131997  0.461484  1
  Ni  Ni80  1  0.650210  0.860985  0.440574  1
  Ni  Ni81  1  0.652495  0.592394  0.418515  1
  Ni  Ni82  1  0.350416  0.977462  0.475316  1
  Ni  Ni83  1  0.353307  0.516125  0.516486  1
  Ni  Ni84  1  0.352237  0.247469  0.496065  1
  Ni  Ni85  1  0.653909  0.938541  0.523625  1
  Ni  Ni86  1  0.654528  0.669236  0.502779  1
  Ni  Ni87  1  0.654967  0.401150  0.482183  1
  Ni  Ni88  1  0.351381  0.784796  0.537825  1
  Ni  Ni89  1  0.354058  0.322850  0.579907  1
  Ni  Ni90  1  0.353003  0.055279  0.558141  1
  Ni  Ni91  1  0.656434  0.747383  0.585954  1
  Ni  Ni92  1  0.655277  0.476086  0.565616  1
  Ni  Ni93  1  0.655554  0.208865  0.544947  1
  Ni  Ni94  1  0.357410  0.595560  0.600057  1
  Ni  Ni95  1  0.368843  0.135704  0.643000  1
  Ni  Ni96  1  0.359342  0.857985  0.620121  1
  Ni  Ni97  1  0.637834  0.552201  0.651314  1
  Ni  Ni98  1  0.661063  0.284471  0.628122  1
  Ni  Ni99  1  0.648206  0.015090  0.607662  1
  Ni  Ni100  1  0.373666  0.398884  0.662346  1
  Ni  Ni101  1  0.389185  0.932416  0.704795  1
  Ni  Ni102  1  0.373407  0.671464  0.683391  1
  Ni  Ni103  1  0.658475  0.387462  0.708888  1
  Ni  Ni104  1  0.636452  0.087322  0.690385  1
  Ni  Ni105  1  0.646617  0.820311  0.671187  1
