# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89845422
_cell_length_b   14.36360581
_cell_length_c   46.41463803
_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   3265.70912058
_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  0.962155  0.674488  0.322012  1
  Al  Al2  1  0.060215  0.393198  0.300182  1
  Al  Al3  1  0.058821  0.128781  0.281957  1
  Al  Al4  1  0.368587  0.575311  0.291927  1
  Al  Al5  1  0.359658  0.092422  0.332899  1
  Al  Al6  1  0.355913  0.818669  0.309008  1
  Al  Al7  1  0.655700  0.510530  0.338585  1
  Al  Al8  1  0.661997  0.246159  0.313397  1
  Al  Al9  1  0.660352  0.983286  0.295799  1
  Al  Al10  1  0.013106  0.476683  0.384452  1
  Al  Al11  1  0.990946  0.208231  0.365656  1
  Al  Al12  1  1.002079  0.943572  0.346607  1
  Al  Al13  1  0.352781  0.357142  0.351366  1
  Al  Al14  1  0.342515  0.901549  0.393355  1
  Al  Al15  1  0.338226  0.632882  0.369512  1
  Al  Al16  1  0.666628  0.326425  0.399216  1
  Al  Al17  1  0.666080  0.055551  0.380194  1
  Al  Al18  1  0.655489  0.789450  0.358685  1
  Al  Al19  1  1.003880  0.287537  0.448847  1
  Al  Al20  1  0.005331  0.017234  0.428494  1
  Al  Al21  1  0.006418  0.746799  0.405847  1
  Al  Al22  1  0.348660  0.172401  0.414446  1
  Al  Al23  1  0.345265  0.706825  0.454970  1
  Al  Al24  1  0.347556  0.439659  0.434588  1
  Al  Al25  1  0.661980  0.133193  0.462978  1
  Al  Al26  1  0.659639  0.862676  0.441857  1
  Al  Al27  1  0.658948  0.593840  0.418794  1
  Al  Al28  1  1.003279  0.094647  0.511565  1
  Al  Al29  1  0.004197  0.823386  0.490088  1
  Al  Al30  1  1.002254  0.554949  0.468814  1
  Al  Al31  1  0.345254  0.978108  0.476637  1
  Al  Al32  1  0.345587  0.516034  0.518553  1
  Al  Al33  1  0.346066  0.248037  0.498061  1
  Al  Al34  1  0.662058  0.939849  0.525069  1
  Al  Al35  1  0.661261  0.670233  0.503563  1
  Al  Al36  1  0.661816  0.402190  0.483050  1
  Al  Al37  1  1.002730  0.900634  0.573284  1
  Al  Al38  1  1.003438  0.630768  0.552806  1
  Al  Al39  1  0.004694  0.363282  0.532775  1
  Al  Al40  1  0.345307  0.784790  0.538721  1
  Al  Al41  1  0.348115  0.324362  0.582697  1
  Al  Al42  1  0.347745  0.055470  0.559752  1
  Al  Al43  1  0.658582  0.745946  0.587296  1
  Al  Al44  1  0.659793  0.478639  0.567020  1
  Al  Al45  1  0.662087  0.211147  0.546617  1
  Al  Al46  1  0.015048  0.709940  0.636040  1
  Al  Al47  1  0.993878  0.441504  0.617024  1
  Al  Al48  1  1.000469  0.171188  0.595716  1
  Al  Al49  1  0.341025  0.591854  0.602473  1
  Al  Al50  1  0.351227  0.128709  0.642767  1
  Al  Al51  1  0.341942  0.862210  0.621850  1
  Al  Al52  1  0.656156  0.561406  0.650232  1
  Al  Al53  1  0.668505  0.285277  0.631959  1
  Al  Al54  1  0.664639  0.016173  0.608241  1
  Al  Al55  1  0.949274  0.524368  0.700896  1
  Al  Al56  1  0.044522  0.244136  0.679398  1
  Al  Al57  1  0.004578  0.974886  0.654752  1
  Al  Al58  1  0.352040  0.408021  0.662880  1
  Al  Al59  1  0.343592  0.937338  0.704871  1
  Al  Al60  1  0.345528  0.671204  0.687379  1
  Al  Al61  1  0.639545  0.343607  0.709575  1
  Al  Al62  1  0.649207  0.100499  0.692482  1
  Al  Al63  1  0.649683  0.825529  0.669259  1
  Ni  Ni64  1  0.867610  0.543002  0.292931  1
  Ni  Ni65  1  0.869797  0.095501  0.329107  1
  Ni  Ni66  1  0.863313  0.836149  0.311258  1
  Ni  Ni67  1  0.143073  0.515722  0.335256  1
  Ni  Ni68  1  0.155783  0.240724  0.318813  1
  Ni  Ni69  1  0.154496  0.973838  0.299741  1
  Ni  Ni70  1  0.866199  0.360421  0.347945  1
  Ni  Ni71  1  0.850800  0.901441  0.394075  1
  Ni  Ni72  1  0.849716  0.631877  0.370716  1
  Ni  Ni73  1  0.156219  0.323712  0.399981  1
  Ni  Ni74  1  0.157856  0.057601  0.380518  1
  Ni  Ni75  1  0.145135  0.786766  0.356537  1
  Ni  Ni76  1  0.856690  0.171882  0.414515  1
  Ni  Ni77  1  0.854248  0.708632  0.454519  1
  Ni  Ni78  1  0.857030  0.441341  0.433574  1
  Ni  Ni79  1  0.153390  0.133301  0.463044  1
  Ni  Ni80  1  0.150418  0.861355  0.441576  1
  Ni  Ni81  1  0.150704  0.592342  0.419636  1
  Ni  Ni82  1  0.854142  0.978497  0.476756  1
  Ni  Ni83  1  0.854581  0.516574  0.517767  1
  Ni  Ni84  1  0.855084  0.249065  0.497596  1
  Ni  Ni85  1  0.152965  0.939466  0.524960  1
  Ni  Ni86  1  0.152278  0.669026  0.504028  1
  Ni  Ni87  1  0.152876  0.401739  0.483847  1
  Ni  Ni88  1  0.853860  0.784906  0.538644  1
  Ni  Ni89  1  0.856340  0.325708  0.581909  1
  Ni  Ni90  1  0.857009  0.056450  0.560054  1
  Ni  Ni91  1  0.150741  0.746236  0.587266  1
  Ni  Ni92  1  0.150498  0.477000  0.567990  1
  Ni  Ni93  1  0.153024  0.209543  0.547066  1
  Ni  Ni94  1  0.851513  0.594601  0.601644  1
  Ni  Ni95  1  0.861333  0.131531  0.645024  1
  Ni  Ni96  1  0.849465  0.860203  0.621344  1
  Ni  Ni97  1  0.141965  0.557770  0.653275  1
  Ni  Ni98  1  0.157255  0.286459  0.630748  1
  Ni  Ni99  1  0.157079  0.016479  0.607471  1
  Ni  Ni100  1  0.864452  0.402254  0.666105  1
  Ni  Ni101  1  0.851633  0.944309  0.701386  1
  Ni  Ni102  1  0.854933  0.679051  0.683338  1
  Ni  Ni103  1  0.140748  0.374981  0.708565  1
  Ni  Ni104  1  0.140553  0.083052  0.689970  1
  Ni  Ni105  1  0.135652  0.822480  0.672908  1
