# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11798326
_cell_length_b   8.81380394
_cell_length_c   48.33227735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.50547155
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al72 Ni24'
_cell_volume   3259.94319145
_cell_formula_units_Z   24
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  0.695147  0.236747  0.337096  1
  Al  Al2  1  0.884185  0.470794  0.321877  1
  Al  Al3  1  0.992034  0.174305  0.294116  1
  Al  Al4  1  0.113196  0.628359  0.303196  1
  Al  Al5  1  0.332415  0.420875  0.340788  1
  Al  Al6  1  0.424915  0.889130  0.350072  1
  Al  Al7  1  0.453974  0.120125  0.309926  1
  Al  Al8  1  0.526360  0.593904  0.319256  1
  Al  Al9  1  0.986614  0.940218  0.332020  1
  Al  Al10  1  0.133554  0.184842  0.349742  1
  Al  Al11  1  0.729097  0.810934  0.312132  1
  Al  Al12  1  0.280807  0.879097  0.298972  1
  Al  Al13  1  0.410353  0.017494  0.405280  1
  Al  Al14  1  0.608299  0.250784  0.393503  1
  Al  Al15  1  0.719415  0.945148  0.366333  1
  Al  Al16  1  0.827618  0.411651  0.375899  1
  Al  Al17  1  0.042586  0.192636  0.411851  1
  Al  Al18  1  0.139704  0.662692  0.421083  1
  Al  Al19  1  0.151420  0.888488  0.383187  1
  Al  Al20  1  0.250055  0.359561  0.393209  1
  Al  Al21  1  0.715922  0.716015  0.403684  1
  Al  Al22  1  0.849756  0.971139  0.420916  1
  Al  Al23  1  0.455844  0.594666  0.380444  1
  Al  Al24  1  0.010401  0.637606  0.364691  1
  Al  Al25  1  0.126019  0.795248  0.477372  1
  Al  Al26  1  0.327946  0.028848  0.464884  1
  Al  Al27  1  0.438476  0.724918  0.436680  1
  Al  Al28  1  0.540625  0.194268  0.447359  1
  Al  Al29  1  0.754948  0.973089  0.483309  1
  Al  Al30  1  0.857743  0.441960  0.493470  1
  Al  Al31  1  0.867121  0.669208  0.455348  1
  Al  Al32  1  0.968641  0.137410  0.465575  1
  Al  Al33  1  0.430743  0.498131  0.475156  1
  Al  Al34  1  0.566204  0.749599  0.492319  1
  Al  Al35  1  0.171913  0.371866  0.452970  1
  Al  Al36  1  0.730301  0.416481  0.437987  1
  Al  Al37  1  0.841271  0.575041  0.549283  1
  Al  Al38  1  0.044544  0.809496  0.536677  1
  Al  Al39  1  0.155441  0.504947  0.508783  1
  Al  Al40  1  0.258236  0.973817  0.518944  1
  Al  Al41  1  0.472560  0.752638  0.554894  1
  Al  Al42  1  0.574709  0.221988  0.565572  1
  Al  Al43  1  0.582441  0.448775  0.527096  1
  Al  Al44  1  0.685238  0.918058  0.537368  1
  Al  Al45  1  0.146064  0.277699  0.546904  1
  Al  Al46  1  0.282883  0.530425  0.564266  1
  Al  Al47  1  0.887166  0.151659  0.524881  1
  Al  Al48  1  0.446981  0.197308  0.509934  1
  Al  Al49  1  0.557340  0.352240  0.621809  1
  Al  Al50  1  0.763129  0.587346  0.609044  1
  Al  Al51  1  0.873480  0.284215  0.581170  1
  Al  Al52  1  0.970598  0.754271  0.590402  1
  Al  Al53  1  0.185566  0.535256  0.626353  1
  Al  Al54  1  0.293769  1.001759  0.635920  1
  Al  Al55  1  0.297263  0.230892  0.598569  1
  Al  Al56  1  0.404885  0.696122  0.608749  1
  Al  Al57  1  0.861764  0.058418  0.619065  1
  Al  Al58  1  0.002783  0.309300  0.637562  1
  Al  Al59  1  0.602831  0.929412  0.596973  1
  Al  Al60  1  0.163429  0.975767  0.581337  1
  Al  Al61  1  0.284087  0.135972  0.690121  1
  Al  Al62  1  0.486825  0.353002  0.682997  1
  Al  Al63  1  0.588270  0.057777  0.652181  1
  Al  Al64  1  0.680769  0.526032  0.661465  1
  Al  Al65  1  0.899989  0.318547  0.699057  1
  Al  Al66  1  0.021150  0.772601  0.708137  1
  Al  Al67  1  0.026570  0.006689  0.670233  1
  Al  Al68  1  0.128999  0.476112  0.680376  1
  Al  Al69  1  0.559211  0.826782  0.692327  1
  Al  Al70  1  0.732377  0.067809  0.703281  1
  Al  Al71  1  0.318037  0.710160  0.665157  1
  Al  Al72  1  0.879631  0.762065  0.652511  1
  Ni  Ni73  1  0.696807  0.361232  0.293715  1
  Ni  Ni74  1  0.175035  0.327432  0.307792  1
  Ni  Ni75  1  0.698422  0.672076  0.354503  1
  Ni  Ni76  1  0.248632  0.717807  0.341912  1
  Ni  Ni77  1  0.439714  0.156340  0.360129  1
  Ni  Ni78  1  0.895715  0.114233  0.374100  1
  Ni  Ni79  1  0.422230  0.456214  0.425404  1
  Ni  Ni80  1  0.969102  0.488296  0.414614  1
  Ni  Ni81  1  0.156491  0.931070  0.432925  1
  Ni  Ni82  1  0.611674  0.897750  0.444151  1
  Ni  Ni83  1  0.140798  0.235119  0.497291  1
  Ni  Ni84  1  0.684886  0.269176  0.486231  1
  Ni  Ni85  1  0.872387  0.711787  0.504962  1
  Ni  Ni86  1  0.328298  0.677731  0.516021  1
  Ni  Ni87  1  0.856693  0.015836  0.569327  1
  Ni  Ni88  1  0.401511  0.049157  0.558102  1
  Ni  Ni89  1  0.590954  0.490693  0.576849  1
  Ni  Ni90  1  0.044083  0.458610  0.587639  1
  Ni  Ni91  1  0.573471  0.790566  0.642123  1
  Ni  Ni92  1  0.117470  0.832674  0.628153  1
  Ni  Ni93  1  0.314762  0.274831  0.647750  1
  Ni  Ni94  1  0.764552  0.229100  0.660340  1
  Ni  Ni95  1  0.316378  0.585675  0.708538  1
  Ni  Ni96  1  0.838149  0.619475  0.694461  1
