# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85412583
_cell_length_b   15.17397999
_cell_length_c   47.52018466
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.91829299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al99 Ni66'
_cell_volume   4814.0454261
_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  0.070550  0.370546  0.286301  1
  Al  Al2  1  0.902035  0.727890  0.300669  1
  Al  Al3  1  0.218448  0.041229  0.273130  1
  Al  Al4  1  0.794397  0.257001  0.284405  1
  Al  Al5  1  0.649376  0.589315  0.295897  1
  Al  Al6  1  0.920304  0.913799  0.279774  1
  Al  Al7  1  0.336755  0.492104  0.293442  1
  Al  Al8  1  0.205385  0.819229  0.314232  1
  Al  Al9  1  0.476562  0.166882  0.278561  1
  Al  Al10  1  0.575108  0.359228  0.332078  1
  Al  Al11  1  0.422334  0.674222  0.345196  1
  Al  Al12  1  0.725446  0.044169  0.318907  1
  Al  Al13  1  0.302805  0.241963  0.326882  1
  Al  Al14  1  0.138502  0.570341  0.339664  1
  Al  Al15  1  0.492272  0.914312  0.310868  1
  Al  Al16  1  0.850208  0.472834  0.335914  1
  Al  Al17  1  0.679337  0.799009  0.350750  1
  Al  Al18  1  0.013606  0.144687  0.322337  1
  Al  Al19  1  0.083993  0.339839  0.372525  1
  Al  Al20  1  0.919928  0.664956  0.386384  1
  Al  Al21  1  0.250111  0.005032  0.358588  1
  Al  Al22  1  0.807657  0.225335  0.367637  1
  Al  Al23  1  0.648854  0.552332  0.381501  1
  Al  Al24  1  0.961262  0.898659  0.353972  1
  Al  Al25  1  0.358272  0.454378  0.377296  1
  Al  Al26  1  0.195627  0.781580  0.390681  1
  Al  Al27  1  0.517230  0.126675  0.364194  1
  Al  Al28  1  0.592439  0.321946  0.414570  1
  Al  Al29  1  0.428854  0.648878  0.428446  1
  Al  Al30  1  0.753945  0.994922  0.400899  1
  Al  Al31  1  0.317011  0.206980  0.409803  1
  Al  Al32  1  0.154317  0.533979  0.423555  1
  Al  Al33  1  0.480727  0.879333  0.396405  1
  Al  Al34  1  0.867690  0.436281  0.419433  1
  Al  Al35  1  0.704623  0.763203  0.433291  1
  Al  Al36  1  0.031295  0.108982  0.405525  1
  Al  Al37  1  0.101223  0.303684  0.456096  1
  Al  Al38  1  0.937744  0.631245  0.469934  1
  Al  Al39  1  0.264326  0.976362  0.442389  1
  Al  Al40  1  0.826233  0.189081  0.451270  1
  Al  Al41  1  0.662601  0.516363  0.465168  1
  Al  Al42  1  0.990365  0.861360  0.437352  1
  Al  Al43  1  0.376099  0.418081  0.461006  1
  Al  Al44  1  0.211931  0.745492  0.474807  1
  Al  Al45  1  0.539154  0.090747  0.447152  1
  Al  Al46  1  0.609895  0.285652  0.497828  1
  Al  Al47  1  0.446294  0.613007  0.511622  1
  Al  Al48  1  0.773497  0.958298  0.484035  1
  Al  Al49  1  0.334926  0.171014  0.492962  1
  Al  Al50  1  0.171431  0.498377  0.506802  1
  Al  Al51  1  0.498242  0.843583  0.479128  1
  Al  Al52  1  0.884865  0.400291  0.502694  1
  Al  Al53  1  0.721548  0.727722  0.516529  1
  Al  Al54  1  0.048360  0.072928  0.488854  1
  Al  Al55  1  0.118568  0.267621  0.539561  1
  Al  Al56  1  0.955465  0.594943  0.553268  1
  Al  Al57  1  0.282046  0.940060  0.525723  1
  Al  Al58  1  0.843691  0.153224  0.534651  1
  Al  Al59  1  0.680636  0.480558  0.548505  1
  Al  Al60  1  0.007859  0.825813  0.520849  1
  Al  Al61  1  0.393557  0.382223  0.544387  1
  Al  Al62  1  0.229425  0.709945  0.558305  1
  Al  Al63  1  0.557190  0.054942  0.530489  1
  Al  Al64  1  0.627351  0.249359  0.581086  1
  Al  Al65  1  0.465846  0.576382  0.594758  1
  Al  Al66  1  0.790937  0.922427  0.567211  1
  Al  Al67  1  0.352101  0.135024  0.576224  1
  Al  Al68  1  0.188496  0.462323  0.590131  1
  Al  Al69  1  0.515168  0.808102  0.562366  1
  Al  Al70  1  0.902780  0.364324  0.585854  1
  Al  Al71  1  0.739064  0.691972  0.599251  1
  Al  Al72  1  0.065473  0.037326  0.572102  1
  Al  Al73  1  0.135798  0.231466  0.623131  1
  Al  Al74  1  0.969679  0.566273  0.637068  1
  Al  Al75  1  0.299863  0.906349  0.609272  1
  Al  Al76  1  0.861519  0.116927  0.618360  1
  Al  Al77  1  0.702561  0.444630  0.631463  1
  Al  Al78  1  0.024163  0.789725  0.604976  1
  Al  Al79  1  0.412133  0.345970  0.628019  1
  Al  Al80  1  0.258528  0.672645  0.641684  1
  Al  Al81  1  0.570937  0.018973  0.614155  1
  Al  Al82  1  0.644683  0.212077  0.663579  1
  Al  Al83  1  0.494344  0.527136  0.676750  1
  Al  Al84  1  0.797456  0.897083  0.650461  1
  Al  Al85  1  0.369583  0.098471  0.659743  1
  Al  Al86  1  0.206184  0.426618  0.673320  1
  Al  Al87  1  0.540454  0.772296  0.644907  1
  Al  Al88  1  0.916986  0.329342  0.668775  1
  Al  Al89  1  0.727519  0.656993  0.684789  1
  Al  Al90  1  0.081289  1.000964  0.655993  1
  Al  Al91  1  0.149241  0.200759  0.709356  1
  Al  Al92  1  1.001343  0.530076  0.722527  1
  Al  Al93  1  0.317756  0.843415  0.694988  1
  Al  Al94  1  0.883036  0.079201  0.702214  1
  Al  Al95  1  0.743228  0.404422  0.717096  1
  Al  Al96  1  0.014405  0.752076  0.681424  1
  Al  Al97  1  0.425394  0.314304  0.711252  1
  Al  Al98  1  0.299487  0.657505  0.715882  1
  Al  Al99  1  0.570414  0.981989  0.699760  1
  Ni  Ni100  1  0.705062  0.423285  0.292104  1
  Ni  Ni101  1  0.545999  0.750170  0.305735  1
  Ni  Ni102  1  0.859433  0.091712  0.277623  1
  Ni  Ni103  1  0.433693  0.326986  0.288592  1
  Ni  Ni104  1  0.267671  0.656497  0.301167  1
  Ni  Ni105  1  0.584272  0.003957  0.273594  1
  Ni  Ni106  1  0.214462  0.406246  0.332396  1
  Ni  Ni107  1  0.053630  0.732756  0.347471  1
  Ni  Ni108  1  0.370688  0.078294  0.318803  1
  Ni  Ni109  1  0.935238  0.308917  0.328610  1
  Ni  Ni110  1  0.779773  0.637839  0.341096  1
  Ni  Ni111  1  0.094775  0.982696  0.315760  1
  Ni  Ni112  1  0.726495  0.389461  0.375181  1
  Ni  Ni113  1  0.561006  0.715770  0.388966  1
  Ni  Ni114  1  0.890581  0.062193  0.361835  1
  Ni  Ni115  1  0.442281  0.290048  0.371017  1
  Ni  Ni116  1  0.278769  0.616606  0.384933  1
  Ni  Ni117  1  0.604333  0.963375  0.357079  1
  Ni  Ni118  1  0.233996  0.371106  0.416420  1
  Ni  Ni119  1  0.070543  0.698429  0.430110  1
  Ni  Ni120  1  0.395012  0.043390  0.402613  1
  Ni  Ni121  1  0.950777  0.272325  0.412241  1
  Ni  Ni122  1  0.787357  0.599319  0.426244  1
  Ni  Ni123  1  0.112320  0.944428  0.398725  1
  Ni  Ni124  1  0.742812  0.353115  0.458295  1
  Ni  Ni125  1  0.579082  0.680461  0.472135  1
  Ni  Ni126  1  0.905973  0.025729  0.444495  1
  Ni  Ni127  1  0.459826  0.254041  0.454088  1
  Ni  Ni128  1  0.296029  0.581359  0.467932  1
  Ni  Ni129  1  0.623383  0.926615  0.440408  1
  Ni  Ni130  1  0.251281  0.335086  0.499931  1
  Ni  Ni131  1  0.087932  0.662596  0.513747  1
  Ni  Ni132  1  0.414818  0.007690  0.486128  1
  Ni  Ni133  1  0.968510  0.236219  0.495726  1
  Ni  Ni134  1  0.804973  0.563615  0.509529  1
  Ni  Ni135  1  0.131859  0.908709  0.481910  1
  Ni  Ni136  1  0.759965  0.317263  0.541569  1
  Ni  Ni137  1  0.596407  0.644690  0.555248  1
  Ni  Ni138  1  0.923761  0.989946  0.527725  1
  Ni  Ni139  1  0.476978  0.218190  0.537362  1
  Ni  Ni140  1  0.313817  0.545576  0.551162  1
  Ni  Ni141  1  0.640709  0.890844  0.523522  1
  Ni  Ni142  1  0.269014  0.298980  0.583415  1
  Ni  Ni143  1  0.107471  0.626877  0.596932  1
  Ni  Ni144  1  0.432433  0.971986  0.569413  1
  Ni  Ni145  1  0.985795  0.200199  0.579237  1
  Ni  Ni146  1  0.824779  0.527915  0.593043  1
  Ni  Ni147  1  0.149247  0.872876  0.565547  1
  Ni  Ni148  1  0.777509  0.281257  0.624640  1
  Ni  Ni149  1  0.615458  0.607929  0.638578  1
  Ni  Ni150  1  0.941021  0.954698  0.610724  1
  Ni  Ni151  1  0.493296  0.181844  0.620475  1
  Ni  Ni152  1  0.329210  0.509112  0.633821  1
  Ni  Ni153  1  0.658784  0.855535  0.606691  1
  Ni  Ni154  1  0.284552  0.262388  0.667047  1
  Ni  Ni155  1  0.125015  0.588609  0.679897  1
  Ni  Ni156  1  0.440018  0.933465  0.654560  1
  Ni  Ni157  1  0.005328  0.165059  0.663261  1
  Ni  Ni158  1  0.849103  0.493010  0.676853  1
  Ni  Ni159  1  0.166161  0.838549  0.648186  1
  Ni  Ni160  1  0.786098  0.244319  0.707065  1
  Ni  Ni161  1  0.635518  0.567348  0.722063  1
  Ni  Ni162  1  0.952120  0.914807  0.694490  1
  Ni  Ni163  1  0.514728  0.148020  0.703553  1
  Ni  Ni164  1  0.360357  0.479593  0.718034  1
  Ni  Ni165  1  0.673792  0.821135  0.689921  1
