# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78287088
_cell_length_b   9.16298471
_cell_length_c   48.81576676
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.69409370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al72 Ni24'
_cell_volume   3285.50122228
_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  0.608355  0.336539  0.328372  1
  Al  Al2  1  0.807793  0.570467  0.317007  1
  Al  Al3  1  0.910159  0.257343  0.288783  1
  Al  Al4  1  0.051548  0.714368  0.296382  1
  Al  Al5  1  0.228147  0.517774  0.337206  1
  Al  Al6  1  0.322312  0.992947  0.345906  1
  Al  Al7  1  0.361851  0.197275  0.305518  1
  Al  Al8  1  0.446172  0.674093  0.315131  1
  Al  Al9  1  0.904368  0.035664  0.325486  1
  Al  Al10  1  0.035914  0.287110  0.342153  1
  Al  Al11  1  0.642900  0.893809  0.306027  1
  Al  Al12  1  0.216167  0.955282  0.293170  1
  Al  Al13  1  0.293324  0.131870  0.399125  1
  Al  Al14  1  0.505491  0.373327  0.387880  1
  Al  Al15  1  0.633831  0.038518  0.358548  1
  Al  Al16  1  0.733404  0.510672  0.368454  1
  Al  Al17  1  0.916761  0.315692  0.407954  1
  Al  Al18  1  0.011527  0.791647  0.417622  1
  Al  Al19  1  0.046034  0.984755  0.378218  1
  Al  Al20  1  0.141722  0.454610  0.387722  1
  Al  Al21  1  0.604943  0.844542  0.398285  1
  Al  Al22  1  0.724723  0.093001  0.413678  1
  Al  Al23  1  0.357603  0.695566  0.376635  1
  Al  Al24  1  0.922595  0.735671  0.361650  1
  Al  Al25  1  0.982928  0.933357  0.471002  1
  Al  Al26  1  0.196953  0.175048  0.459737  1
  Al  Al27  1  0.326859  0.837935  0.429658  1
  Al  Al28  1  0.424087  0.313452  0.439643  1
  Al  Al29  1  0.606360  0.117104  0.479459  1
  Al  Al30  1  0.702846  0.592375  0.489497  1
  Al  Al31  1  0.736843  0.784782  0.449990  1
  Al  Al32  1  0.833379  0.255505  0.459421  1
  Al  Al33  1  0.294675  0.645300  0.469301  1
  Al  Al34  1  0.415358  0.893711  0.485099  1
  Al  Al35  1  0.048221  0.497032  0.448133  1
  Al  Al36  1  0.614886  0.536627  0.433898  1
  Al  Al37  1  0.673087  0.734469  0.542642  1
  Al  Al38  1  0.887929  0.975996  0.531354  1
  Al  Al39  1  0.018462  0.639126  0.501277  1
  Al  Al40  1  0.114947  0.114397  0.511316  1
  Al  Al41  1  0.297221  0.918049  0.551132  1
  Al  Al42  1  0.394449  0.393566  0.561117  1
  Al  Al43  1  0.426633  0.586201  0.521474  1
  Al  Al44  1  0.524355  0.056453  0.531037  1
  Al  Al45  1  0.984465  0.446720  0.540784  1
  Al  Al46  1  0.106422  0.694874  0.556876  1
  Al  Al47  1  0.738380  0.298145  0.519773  1
  Al  Al48  1  0.305950  0.337790  0.505675  1
  Al  Al49  1  0.363704  0.535936  0.614140  1
  Al  Al50  1  0.579586  0.776891  0.603052  1
  Al  Al51  1  0.709781  0.439855  0.573152  1
  Al  Al52  1  0.804547  0.915810  0.582821  1
  Al  Al53  1  0.987904  0.720829  0.622320  1
  Al  Al54  1  0.087477  0.192983  0.632227  1
  Al  Al55  1  0.116365  0.386959  0.592489  1
  Al  Al56  1  0.215817  0.858174  0.602895  1
  Al  Al57  1  0.675274  0.246746  0.612556  1
  Al  Al58  1  0.798713  0.495830  0.629125  1
  Al  Al59  1  0.427984  0.099632  0.591650  1
  Al  Al60  1  0.996585  0.138500  0.577096  1
  Al  Al61  1  0.078408  0.337693  0.684748  1
  Al  Al62  1  0.275135  0.557408  0.675644  1
  Al  Al63  1  0.398996  0.238554  0.644868  1
  Al  Al64  1  0.493161  0.713728  0.653569  1
  Al  Al65  1  0.669760  0.517133  0.694392  1
  Al  Al66  1  0.811149  0.974158  0.701992  1
  Al  Al67  1  0.816940  0.195837  0.665289  1
  Al  Al68  1  0.913515  0.661034  0.673768  1
  Al  Al69  1  0.359457  0.034226  0.685257  1
  Al  Al70  1  0.505141  0.276219  0.697604  1
  Al  Al71  1  0.112952  0.894962  0.662402  1
  Al  Al72  1  0.685394  0.944391  0.648622  1
  Ni  Ni73  1  0.382540  0.463454  0.290966  1
  Ni  Ni74  1  0.091361  0.424695  0.297521  1
  Ni  Ni75  1  0.604637  0.772271  0.350228  1
  Ni  Ni76  1  0.161283  0.809435  0.337658  1
  Ni  Ni77  1  0.352007  0.255251  0.355426  1
  Ni  Ni78  1  0.797253  0.218307  0.367987  1
  Ni  Ni79  1  0.296723  0.574273  0.420218  1
  Ni  Ni80  1  0.854248  0.607509  0.408300  1
  Ni  Ni81  1  0.042866  0.055030  0.427277  1
  Ni  Ni82  1  0.485583  0.021847  0.439333  1
  Ni  Ni83  1  0.988083  0.375331  0.491816  1
  Ni  Ni84  1  0.544480  0.408572  0.479902  1
  Ni  Ni85  1  0.733225  0.856171  0.498958  1
  Ni  Ni86  1  0.176827  0.822929  0.510873  1
  Ni  Ni87  1  0.678442  0.176471  0.563498  1
  Ni  Ni88  1  0.235725  0.209654  0.551442  1
  Ni  Ni89  1  0.424585  0.657229  0.570556  1
  Ni  Ni90  1  0.867060  0.623993  0.582475  1
  Ni  Ni91  1  0.369301  0.976250  0.635349  1
  Ni  Ni92  1  0.924055  0.013194  0.622788  1
  Ni  Ni93  1  0.116671  0.459230  0.640546  1
  Ni  Ni94  1  0.560024  0.422066  0.653117  1
  Ni  Ni95  1  0.338768  0.768048  0.699809  1
  Ni  Ni96  1  0.629947  0.806806  0.693254  1
