# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46749759
_cell_length_b   6.25701641
_cell_length_c   49.22182830
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.84322622
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al63 Ni42'
_cell_volume   3200.83194205
_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  0.217530  0.537986  0.304253  1
  Al  Al2  1  0.572625  0.420865  0.329171  1
  Al  Al3  1  0.878245  0.786769  0.292369  1
  Al  Al4  1  0.457850  0.816046  0.325591  1
  Al  Al5  1  0.690811  0.106503  0.282825  1
  Al  Al6  1  0.128344  0.931305  0.303463  1
  Al  Al7  1  0.348147  0.177740  0.314130  1
  Al  Al8  1  0.698121  0.049965  0.335978  1
  Al  Al9  1  0.969123  0.251134  0.296135  1
  Al  Al10  1  0.267346  0.167198  0.370292  1
  Al  Al11  1  0.614687  0.039348  0.392384  1
  Al  Al12  1  0.918961  0.311860  0.351776  1
  Al  Al13  1  0.497069  0.431067  0.385781  1
  Al  Al14  1  0.799078  0.686517  0.346170  1
  Al  Al15  1  0.151934  0.561372  0.363980  1
  Al  Al16  1  0.380504  0.782252  0.377543  1
  Al  Al17  1  0.729239  0.654124  0.398871  1
  Al  Al18  1  0.030183  0.914267  0.355162  1
  Al  Al19  1  0.308965  0.783540  0.433663  1
  Al  Al20  1  0.657293  0.653929  0.454914  1
  Al  Al21  1  0.962800  0.913464  0.413200  1
  Al  Al22  1  0.541157  0.040100  0.448741  1
  Al  Al23  1  0.848111  0.299476  0.407567  1
  Al  Al24  1  0.194320  0.169234  0.427704  1
  Al  Al25  1  0.425003  0.395678  0.439676  1
  Al  Al26  1  0.772237  0.266265  0.460765  1
  Al  Al27  1  0.078623  0.526494  0.418440  1
  Al  Al28  1  0.352368  0.393461  0.496431  1
  Al  Al29  1  0.699542  0.264496  0.517300  1
  Al  Al30  1  0.005194  0.522426  0.475561  1
  Al  Al31  1  0.583842  0.650330  0.511434  1
  Al  Al32  1  0.890087  0.910239  0.469774  1
  Al  Al33  1  0.236886  0.780131  0.490532  1
  Al  Al34  1  0.467849  0.006792  0.502330  1
  Al  Al35  1  0.814648  0.876684  0.523088  1
  Al  Al36  1  0.120893  0.136592  0.481428  1
  Al  Al37  1  0.395770  1.003382  0.559199  1
  Al  Al38  1  0.741935  0.873458  0.579662  1
  Al  Al39  1  0.047442  0.132993  0.537948  1
  Al  Al40  1  0.626112  0.260428  0.574421  1
  Al  Al41  1  0.932499  0.520657  0.532097  1
  Al  Al42  1  0.279732  0.391244  0.553186  1
  Al  Al43  1  0.510415  0.617688  0.565158  1
  Al  Al44  1  0.856624  0.487446  0.585295  1
  Al  Al45  1  0.163578  0.746822  0.544121  1
  Al  Al46  1  0.437389  0.619725  0.622569  1
  Al  Al47  1  0.785774  0.475062  0.641086  1
  Al  Al48  1  0.090048  0.747574  0.600478  1
  Al  Al49  1  0.674552  0.872655  0.637699  1
  Al  Al50  1  0.975496  0.132798  0.593991  1
  Al  Al51  1  0.324232  0.004670  0.615319  1
  Al  Al52  1  0.552801  0.225550  0.628881  1
  Al  Al53  1  0.905657  0.100406  0.646692  1
  Al  Al54  1  0.207666  0.355855  0.607081  1
  Al  Al55  1  0.487205  0.248937  0.688609  1
  Al  Al56  1  0.826490  1.000154  0.700492  1
  Al  Al57  1  0.132110  0.366057  0.663691  1
  Al  Al58  1  0.735613  0.535789  0.696727  1
  Al  Al59  1  0.006615  0.736957  0.656884  1
  Al  Al60  1  0.356588  0.609182  0.678731  1
  Al  Al61  1  0.576391  0.855618  0.689399  1
  Al  Al62  1  0.013924  0.680420  0.710037  1
  Al  Al63  1  0.246886  0.970877  0.667271  1
  Ni  Ni64  1  0.442875  0.519735  0.291788  1
  Ni  Ni65  1  0.785059  0.407648  0.312650  1
  Ni  Ni66  1  0.130466  0.248820  0.333837  1
  Ni  Ni67  1  0.342091  0.866202  0.283411  1
  Ni  Ni68  1  0.657125  0.738611  0.304778  1
  Ni  Ni69  1  0.010724  0.600792  0.324121  1
  Ni  Ni70  1  0.480369  0.121577  0.355583  1
  Ni  Ni71  1  0.826833  0.994491  0.376483  1
  Ni  Ni72  1  0.171520  0.862705  0.396050  1
  Ni  Ni73  1  0.357688  0.480146  0.344974  1
  Ni  Ni74  1  0.706238  0.350731  0.367692  1
  Ni  Ni75  1  0.057997  0.220576  0.387381  1
  Ni  Ni76  1  0.520043  0.732507  0.417651  1
  Ni  Ni77  1  0.869211  0.603936  0.438546  1
  Ni  Ni78  1  0.215969  0.473834  0.459049  1
  Ni  Ni79  1  0.402974  0.092478  0.408278  1
  Ni  Ni80  1  0.751331  0.962413  0.429676  1
  Ni  Ni81  1  0.098822  0.831657  0.450242  1
  Ni  Ni82  1  0.563173  0.344256  0.480027  1
  Ni  Ni83  1  0.910930  0.214238  0.500885  1
  Ni  Ni84  1  0.259087  0.084481  0.521851  1
  Ni  Ni85  1  0.445649  0.702441  0.471011  1
  Ni  Ni86  1  0.793806  0.572684  0.491976  1
  Ni  Ni87  1  0.141562  0.442667  0.512835  1
  Ni  Ni88  1  0.605913  0.955265  0.542620  1
  Ni  Ni89  1  0.953404  0.824509  0.563186  1
  Ni  Ni90  1  0.301762  0.694444  0.584583  1
  Ni  Ni91  1  0.488767  0.313088  0.533812  1
  Ni  Ni92  1  0.835524  0.182986  0.554315  1
  Ni  Ni93  1  0.184692  0.054416  0.575210  1
  Ni  Ni94  1  0.646738  0.566346  0.605481  1
  Ni  Ni95  1  0.998498  0.436191  0.625169  1
  Ni  Ni96  1  0.347047  0.306776  0.647888  1
  Ni  Ni97  1  0.533215  0.924218  0.596811  1
  Ni  Ni98  1  0.877902  0.792431  0.616379  1
  Ni  Ni99  1  0.224366  0.665345  0.637279  1
  Ni  Ni100  1  0.694011  0.186130  0.668740  1
  Ni  Ni101  1  0.047610  0.048311  0.688083  1
  Ni  Ni102  1  0.362644  0.920720  0.709451  1
  Ni  Ni103  1  0.574269  0.538102  0.659025  1
  Ni  Ni104  1  0.919677  0.379274  0.680212  1
  Ni  Ni105  1  0.261860  0.267187  0.701074  1
