# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85536991
_cell_length_b   15.17339995
_cell_length_c   47.51979473
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.91829279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al99 Ni66'
_cell_volume   4814.69564652
_cell_formula_units_Z   33
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  0.718362  0.041239  0.273151  1
  Al  Al2  1  0.570434  0.370560  0.286321  1
  Al  Al3  1  0.401917  0.727894  0.300689  1
  Al  Al4  1  0.420152  0.913803  0.279802  1
  Al  Al5  1  0.294245  0.257004  0.284430  1
  Al  Al6  1  0.149230  0.589327  0.295917  1
  Al  Al7  1  0.976489  0.166887  0.278580  1
  Al  Al8  1  0.836683  0.492115  0.293464  1
  Al  Al9  1  0.705300  0.819242  0.314250  1
  Al  Al10  1  0.225328  0.044206  0.318924  1
  Al  Al11  1  0.074999  0.359241  0.332094  1
  Al  Al12  1  0.922224  0.674229  0.345210  1
  Al  Al13  1  0.992152  0.914326  0.310887  1
  Al  Al14  1  0.802668  0.241977  0.326899  1
  Al  Al15  1  0.638357  0.570357  0.339680  1
  Al  Al16  1  0.513538  0.144696  0.322354  1
  Al  Al17  1  0.350132  0.472843  0.335929  1
  Al  Al18  1  0.179264  0.799021  0.350766  1
  Al  Al19  1  0.750011  0.005033  0.358602  1
  Al  Al20  1  0.583888  0.339851  0.372540  1
  Al  Al21  1  0.419821  0.664969  0.386397  1
  Al  Al22  1  0.461118  0.898674  0.353983  1
  Al  Al23  1  0.307516  0.225346  0.367651  1
  Al  Al24  1  0.148718  0.552345  0.381515  1
  Al  Al25  1  0.017149  0.126690  0.364209  1
  Al  Al26  1  0.858200  0.454394  0.377309  1
  Al  Al27  1  0.695551  0.781597  0.390690  1
  Al  Al28  1  0.253839  0.994935  0.400910  1
  Al  Al29  1  0.092335  0.321962  0.414580  1
  Al  Al30  1  0.928749  0.648896  0.428455  1
  Al  Al31  1  0.980586  0.879348  0.396418  1
  Al  Al32  1  0.816869  0.206997  0.409814  1
  Al  Al33  1  0.654180  0.533997  0.423565  1
  Al  Al34  1  0.531223  0.108996  0.405536  1
  Al  Al35  1  0.367620  0.436296  0.419442  1
  Al  Al36  1  0.204551  0.763219  0.433299  1
  Al  Al37  1  0.764219  0.976378  0.442397  1
  Al  Al38  1  0.601120  0.303702  0.456103  1
  Al  Al39  1  0.437643  0.631264  0.469940  1
  Al  Al40  1  0.490228  0.861377  0.437361  1
  Al  Al41  1  0.326096  0.189099  0.451278  1
  Al  Al42  1  0.162466  0.516381  0.465175  1
  Al  Al43  1  0.039082  0.090764  0.447159  1
  Al  Al44  1  0.876031  0.418098  0.461013  1
  Al  Al45  1  0.711865  0.745510  0.474813  1
  Al  Al46  1  0.273394  0.958317  0.484040  1
  Al  Al47  1  0.109795  0.285672  0.497832  1
  Al  Al48  1  0.946196  0.613026  0.511625  1
  Al  Al49  1  0.998108  0.843602  0.479134  1
  Al  Al50  1  0.834791  0.171033  0.492967  1
  Al  Al51  1  0.671298  0.498397  0.506806  1
  Al  Al52  1  0.548292  0.072946  0.488859  1
  Al  Al53  1  0.384798  0.400310  0.502698  1
  Al  Al54  1  0.221481  0.727741  0.516531  1
  Al  Al55  1  0.781946  0.940079  0.525725  1
  Al  Al56  1  0.618470  0.267641  0.539562  1
  Al  Al57  1  0.455370  0.594965  0.553268  1
  Al  Al58  1  0.507725  0.825834  0.520852  1
  Al  Al59  1  0.343558  0.153245  0.534652  1
  Al  Al60  1  0.180507  0.480580  0.548506  1
  Al  Al61  1  0.057123  0.054962  0.530490  1
  Al  Al62  1  0.893493  0.382244  0.544387  1
  Al  Al63  1  0.729362  0.709966  0.558304  1
  Al  Al64  1  0.290841  0.922447  0.567210  1
  Al  Al65  1  0.127254  0.249381  0.581085  1
  Al  Al66  1  0.965750  0.576408  0.594755  1
  Al  Al67  1  0.015038  0.808124  0.562366  1
  Al  Al68  1  0.851969  0.135048  0.576223  1
  Al  Al69  1  0.688366  0.462347  0.590129  1
  Al  Al70  1  0.565409  0.037347  0.572100  1
  Al  Al71  1  0.402720  0.364346  0.585851  1
  Al  Al72  1  0.239004  0.691996  0.599247  1
  Al  Al73  1  0.799768  0.906374  0.609268  1
  Al  Al74  1  0.635701  0.231492  0.623125  1
  Al  Al75  1  0.469579  0.566310  0.637063  1
  Al  Al76  1  0.524038  0.789747  0.604975  1
  Al  Al77  1  0.361389  0.116949  0.618356  1
  Al  Al78  1  0.202441  0.444653  0.631456  1
  Al  Al79  1  0.070872  0.018998  0.614150  1
  Al  Al80  1  0.912073  0.345997  0.628014  1
  Al  Al81  1  0.758471  0.672669  0.641682  1
  Al  Al82  1  0.297365  0.897114  0.650455  1
  Al  Al83  1  0.144591  0.212102  0.663571  1
  Al  Al84  1  0.994262  0.527137  0.676741  1
  Al  Al85  1  0.040325  0.772323  0.644899  1
  Al  Al86  1  0.869457  0.098500  0.659736  1
  Al  Al87  1  0.706051  0.426647  0.673311  1
  Al  Al88  1  0.581233  1.000986  0.655985  1
  Al  Al89  1  0.416921  0.329367  0.668766  1
  Al  Al90  1  0.227437  0.657017  0.684778  1
  Al  Al91  1  0.817672  0.843449  0.694976  1
  Al  Al92  1  0.649155  0.200783  0.709344  1
  Al  Al93  1  0.501227  0.530104  0.722514  1
  Al  Al94  1  0.514289  0.752101  0.681415  1
  Al  Al95  1  0.382906  0.079228  0.702201  1
  Al  Al96  1  0.243100  0.404456  0.717084  1
  Al  Al97  1  0.070359  0.982016  0.699748  1
  Al  Al98  1  0.925344  0.314339  0.711235  1
  Al  Al99  1  0.799438  0.657540  0.715863  1
  Ni  Ni100  1  0.359357  0.091709  0.277640  1
  Ni  Ni101  1  0.204959  0.423292  0.292122  1
  Ni  Ni102  1  0.045890  0.750184  0.305754  1
  Ni  Ni103  1  0.084173  0.003965  0.273614  1
  Ni  Ni104  1  0.933569  0.326999  0.288610  1
  Ni  Ni105  1  0.767548  0.656516  0.301184  1
  Ni  Ni106  1  0.870591  0.078305  0.318822  1
  Ni  Ni107  1  0.714364  0.406258  0.332413  1
  Ni  Ni108  1  0.553528  0.732768  0.347486  1
  Ni  Ni109  1  0.594654  0.982712  0.315776  1
  Ni  Ni110  1  0.435123  0.308929  0.328627  1
  Ni  Ni111  1  0.279650  0.637852  0.341113  1
  Ni  Ni112  1  0.390491  0.062204  0.361850  1
  Ni  Ni113  1  0.226405  0.389472  0.375194  1
  Ni  Ni114  1  0.060911  0.715782  0.388977  1
  Ni  Ni115  1  0.104217  0.963393  0.357093  1
  Ni  Ni116  1  0.942161  0.290064  0.371030  1
  Ni  Ni117  1  0.778648  0.616623  0.384945  1
  Ni  Ni118  1  0.894917  0.043404  0.402624  1
  Ni  Ni119  1  0.733907  0.371122  0.416430  1
  Ni  Ni120  1  0.570454  0.698446  0.430118  1
  Ni  Ni121  1  0.612195  0.944442  0.398736  1
  Ni  Ni122  1  0.450657  0.272340  0.412252  1
  Ni  Ni123  1  0.287238  0.599336  0.426254  1
  Ni  Ni124  1  0.405881  0.025745  0.444503  1
  Ni  Ni125  1  0.242724  0.353131  0.458301  1
  Ni  Ni126  1  0.078996  0.680478  0.472141  1
  Ni  Ni127  1  0.123264  0.926633  0.440417  1
  Ni  Ni128  1  0.959709  0.254060  0.454095  1
  Ni  Ni129  1  0.795914  0.581378  0.467938  1
  Ni  Ni130  1  0.914729  0.007708  0.486133  1
  Ni  Ni131  1  0.751194  0.335104  0.499934  1
  Ni  Ni132  1  0.587847  0.662615  0.513749  1
  Ni  Ni133  1  0.631742  0.908728  0.481915  1
  Ni  Ni134  1  0.468395  0.236239  0.495730  1
  Ni  Ni135  1  0.304860  0.563635  0.509532  1
  Ni  Ni136  1  0.423675  0.989965  0.527727  1
  Ni  Ni137  1  0.259881  0.317283  0.541569  1
  Ni  Ni138  1  0.096326  0.644711  0.555248  1
  Ni  Ni139  1  0.140594  0.890865  0.523524  1
  Ni  Ni140  1  0.976865  0.218212  0.537363  1
  Ni  Ni141  1  0.813708  0.545598  0.551162  1
  Ni  Ni142  1  0.932351  0.972008  0.569411  1
  Ni  Ni143  1  0.768932  0.299003  0.583413  1
  Ni  Ni144  1  0.607394  0.626901  0.596929  1
  Ni  Ni145  1  0.649135  0.872897  0.565547  1
  Ni  Ni146  1  0.485682  0.200221  0.579234  1
  Ni  Ni147  1  0.324672  0.527939  0.593040  1
  Ni  Ni148  1  0.440942  0.954720  0.610719  1
  Ni  Ni149  1  0.277428  0.281279  0.624635  1
  Ni  Ni150  1  0.115372  0.607951  0.638572  1
  Ni  Ni151  1  0.158678  0.855561  0.606688  1
  Ni  Ni152  1  0.993184  0.181871  0.620471  1
  Ni  Ni153  1  0.829098  0.509139  0.633815  1
  Ni  Ni154  1  0.939939  0.933492  0.654551  1
  Ni  Ni155  1  0.784466  0.262414  0.667038  1
  Ni  Ni156  1  0.624936  0.588632  0.679889  1
  Ni  Ni157  1  0.666061  0.838575  0.648179  1
  Ni  Ni158  1  0.505225  0.165086  0.663252  1
  Ni  Ni159  1  0.348998  0.493038  0.676843  1
  Ni  Ni160  1  0.452041  0.914827  0.694481  1
  Ni  Ni161  1  0.286021  0.244344  0.707055  1
  Ni  Ni162  1  0.135417  0.567378  0.722051  1
  Ni  Ni163  1  0.173699  0.821159  0.689911  1
  Ni  Ni164  1  0.014631  0.148052  0.703543  1
  Ni  Ni165  1  0.860233  0.479634  0.718025  1
