# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78503823
_cell_length_b   9.16317844
_cell_length_c   48.82891898
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.69409230
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al72 Ni24'
_cell_volume   3287.37107975
_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  0.608172  0.336431  0.328304  1
  Al  Al2  1  0.807601  0.570349  0.316941  1
  Al  Al3  1  0.910129  0.257242  0.288748  1
  Al  Al4  1  0.051394  0.714246  0.296346  1
  Al  Al5  1  0.228090  0.517717  0.337161  1
  Al  Al6  1  0.322249  0.992810  0.345841  1
  Al  Al7  1  0.361721  0.197157  0.305464  1
  Al  Al8  1  0.446041  0.674030  0.315083  1
  Al  Al9  1  0.904222  0.035547  0.325428  1
  Al  Al10  1  0.035807  0.286998  0.342109  1
  Al  Al11  1  0.642834  0.893710  0.305969  1
  Al  Al12  1  0.216005  0.955176  0.293125  1
  Al  Al13  1  0.293100  0.131804  0.399039  1
  Al  Al14  1  0.505316  0.373261  0.387783  1
  Al  Al15  1  0.633631  0.038502  0.358469  1
  Al  Al16  1  0.733220  0.510597  0.368375  1
  Al  Al17  1  0.916635  0.315649  0.407857  1
  Al  Al18  1  0.011441  0.791555  0.417524  1
  Al  Al19  1  0.045897  0.984717  0.378135  1
  Al  Al20  1  0.141602  0.454565  0.387651  1
  Al  Al21  1  0.604768  0.844509  0.398196  1
  Al  Al22  1  0.724586  0.092945  0.413587  1
  Al  Al23  1  0.357565  0.695542  0.376554  1
  Al  Al24  1  0.922440  0.735618  0.361567  1
  Al  Al25  1  0.982718  0.933321  0.470884  1
  Al  Al26  1  0.196793  0.174997  0.459613  1
  Al  Al27  1  0.326658  0.837955  0.429554  1
  Al  Al28  1  0.423900  0.313416  0.439532  1
  Al  Al29  1  0.606261  0.117097  0.479332  1
  Al  Al30  1  0.702769  0.592309  0.489367  1
  Al  Al31  1  0.736724  0.784756  0.449874  1
  Al  Al32  1  0.833263  0.255509  0.459311  1
  Al  Al33  1  0.294506  0.645278  0.469181  1
  Al  Al34  1  0.415233  0.893677  0.484978  1
  Al  Al35  1  0.048140  0.497019  0.448014  1
  Al  Al36  1  0.614728  0.536609  0.433784  1
  Al  Al37  1  0.672892  0.734461  0.542494  1
  Al  Al38  1  0.887769  0.975972  0.531197  1
  Al  Al39  1  0.018263  0.639171  0.501141  1
  Al  Al40  1  0.114771  0.114383  0.511176  1
  Al  Al41  1  0.297132  0.918064  0.550976  1
  Al  Al42  1  0.394374  0.393525  0.560954  1
  Al  Al43  1  0.426526  0.586202  0.521327  1
  Al  Al44  1  0.524239  0.056483  0.530895  1
  Al  Al45  1  0.984308  0.446724  0.540633  1
  Al  Al46  1  0.106304  0.694872  0.556724  1
  Al  Al47  1  0.738314  0.298159  0.519623  1
  Al  Al48  1  0.305798  0.337803  0.505529  1
  Al  Al49  1  0.363467  0.535938  0.613954  1
  Al  Al50  1  0.579430  0.776915  0.602857  1
  Al  Al51  1  0.709591  0.439925  0.572984  1
  Al  Al52  1  0.804397  0.915831  0.582650  1
  Al  Al53  1  0.987812  0.720884  0.622133  1
  Al  Al54  1  0.087401  0.192978  0.632039  1
  Al  Al55  1  0.116264  0.386971  0.592312  1
  Al  Al56  1  0.215716  0.858219  0.602725  1
  Al  Al57  1  0.675135  0.246763  0.612373  1
  Al  Al58  1  0.798592  0.495862  0.628941  1
  Al  Al59  1  0.427932  0.099676  0.591468  1
  Al  Al60  1  0.996446  0.138535  0.576920  1
  Al  Al61  1  0.078197  0.337770  0.684539  1
  Al  Al62  1  0.274991  0.557450  0.675424  1
  Al  Al63  1  0.398783  0.238671  0.644667  1
  Al  Al64  1  0.492942  0.713763  0.653347  1
  Al  Al65  1  0.669637  0.517234  0.694161  1
  Al  Al66  1  0.810903  0.974238  0.701760  1
  Al  Al67  1  0.816810  0.195933  0.665080  1
  Al  Al68  1  0.913431  0.661131  0.673567  1
  Al  Al69  1  0.359311  0.034324  0.685043  1
  Al  Al70  1  0.505026  0.276305  0.697382  1
  Al  Al71  1  0.112860  0.895050  0.662204  1
  Al  Al72  1  0.685225  0.944482  0.648398  1
  Ni  Ni73  1  0.382268  0.463431  0.290927  1
  Ni  Ni74  1  0.091264  0.424574  0.297511  1
  Ni  Ni75  1  0.604584  0.772198  0.350156  1
  Ni  Ni76  1  0.161148  0.809367  0.337598  1
  Ni  Ni77  1  0.351811  0.255163  0.355355  1
  Ni  Ni78  1  0.797091  0.218233  0.367910  1
  Ni  Ni79  1  0.296651  0.574249  0.420116  1
  Ni  Ni80  1  0.854070  0.607486  0.408198  1
  Ni  Ni81  1  0.042651  0.054985  0.427176  1
  Ni  Ni82  1  0.485457  0.021806  0.439229  1
  Ni  Ni83  1  0.988014  0.375327  0.491683  1
  Ni  Ni84  1  0.544323  0.408570  0.479769  1
  Ni  Ni85  1  0.733018  0.856153  0.498825  1
  Ni  Ni86  1  0.176709  0.822910  0.510739  1
  Ni  Ni87  1  0.678381  0.176495  0.563332  1
  Ni  Ni88  1  0.235575  0.209674  0.551279  1
  Ni  Ni89  1  0.424381  0.657231  0.570392  1
  Ni  Ni90  1  0.866962  0.623994  0.582310  1
  Ni  Ni91  1  0.369220  0.976317  0.635153  1
  Ni  Ni92  1  0.923941  0.013247  0.622598  1
  Ni  Ni93  1  0.116448  0.459283  0.640352  1
  Ni  Ni94  1  0.559884  0.422113  0.652910  1
  Ni  Ni95  1  0.338764  0.768049  0.699581  1
  Ni  Ni96  1  0.629768  0.806906  0.692997  1
