# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90565551
_cell_length_b   10.60287905
_cell_length_c   47.21694324
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.96723253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al66 Ni44'
_cell_volume   3268.21823517
_cell_formula_units_Z   22
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  0.857033  0.752271  0.272807  1
  Al  Al2  1  0.616587  0.224336  0.291679  1
  Al  Al3  1  0.371602  0.057626  0.286556  1
  Al  Al4  1  0.126443  0.537214  0.306506  1
  Al  Al5  1  0.113822  0.907680  0.281706  1
  Al  Al6  1  0.861423  0.392491  0.299684  1
  Al  Al7  1  0.377092  0.696257  0.313489  1
  Al  Al8  1  0.136784  0.183495  0.336305  1
  Al  Al9  1  0.884861  0.020179  0.328127  1
  Al  Al10  1  0.648095  0.499139  0.348332  1
  Al  Al11  1  0.628751  0.870526  0.322976  1
  Al  Al12  1  0.387871  0.348615  0.342100  1
  Al  Al13  1  0.896574  0.660829  0.355647  1
  Al  Al14  1  0.656147  0.144833  0.376065  1
  Al  Al15  1  0.404091  0.981106  0.369552  1
  Al  Al16  1  0.165627  0.459466  0.390365  1
  Al  Al17  1  0.147474  0.827379  0.362410  1
  Al  Al18  1  0.905235  0.307698  0.383450  1
  Al  Al19  1  0.416535  0.623354  0.397144  1
  Al  Al20  1  0.176037  0.104671  0.418520  1
  Al  Al21  1  0.925811  0.939196  0.411172  1
  Al  Al22  1  0.686778  0.419866  0.432160  1
  Al  Al23  1  0.665739  0.787938  0.404118  1
  Al  Al24  1  0.427495  0.268580  0.425706  1
  Al  Al25  1  0.936023  0.584991  0.439273  1
  Al  Al26  1  0.696650  0.064259  0.460223  1
  Al  Al27  1  0.446909  0.900238  0.452929  1
  Al  Al28  1  0.205881  0.380481  0.474047  1
  Al  Al29  1  0.186835  0.748478  0.446369  1
  Al  Al30  1  0.946185  0.228525  0.467399  1
  Al  Al31  1  0.456525  0.544415  0.481154  1
  Al  Al32  1  0.216278  0.024760  0.502127  1
  Al  Al33  1  0.966118  0.860310  0.494961  1
  Al  Al34  1  0.726627  0.340588  0.516000  1
  Al  Al35  1  0.706041  0.708762  0.488283  1
  Al  Al36  1  0.466416  0.189116  0.509292  1
  Al  Al37  1  0.976087  0.504864  0.523127  1
  Al  Al38  1  0.735809  0.985273  0.544024  1
  Al  Al39  1  0.486398  0.820881  0.536833  1
  Al  Al40  1  0.245741  0.300925  0.557914  1
  Al  Al41  1  0.226707  0.668866  0.530219  1
  Al  Al42  1  0.985694  0.149196  0.551349  1
  Al  Al43  1  0.496562  0.464338  0.565013  1
  Al  Al44  1  0.256758  0.944355  0.585672  1
  Al  Al45  1  0.005002  0.780809  0.578516  1
  Al  Al46  1  0.766477  0.261465  0.600199  1
  Al  Al47  1  0.745856  0.629510  0.572090  1
  Al  Al48  1  0.506492  0.110371  0.593121  1
  Al  Al49  1  0.016275  0.426018  0.607213  1
  Al  Al50  1  0.776690  0.904764  0.628113  1
  Al  Al51  1  0.527867  0.741475  0.620799  1
  Al  Al52  1  0.285473  0.222498  0.642110  1
  Al  Al53  1  0.266920  0.589915  0.613884  1
  Al  Al54  1  0.029898  0.068261  0.634564  1
  Al  Al55  1  0.534796  0.389848  0.648599  1
  Al  Al56  1  0.296493  0.865785  0.667787  1
  Al  Al57  1  0.045337  0.700409  0.662106  1
  Al  Al58  1  0.800946  0.178158  0.680571  1
  Al  Al59  1  0.784640  0.549812  0.655995  1
  Al  Al60  1  0.546431  0.028987  0.675949  1
  Al  Al61  1  0.052937  0.352524  0.690574  1
  Al  Al62  1  0.817493  0.824610  0.712377  1
  Al  Al63  1  0.569961  0.657950  0.704137  1
  Al  Al64  1  0.318487  0.145646  0.722330  1
  Al  Al65  1  0.303865  0.512525  0.698084  1
  Al  Al66  1  0.064337  0.993017  0.716902  1
  Ni  Ni67  1  0.495987  0.815428  0.279450  1
  Ni  Ni68  1  0.239457  0.290820  0.298121  1
  Ni  Ni69  1  0.995689  0.152904  0.292415  1
  Ni  Ni70  1  0.745504  0.638738  0.310373  1
  Ni  Ni71  1  0.003580  0.773946  0.317920  1
  Ni  Ni72  1  0.766668  0.255465  0.336429  1
  Ni  Ni73  1  0.505132  0.116453  0.330868  1
  Ni  Ni74  1  0.264661  0.591729  0.352340  1
  Ni  Ni75  1  0.524833  0.734535  0.358025  1
  Ni  Ni76  1  0.288171  0.216509  0.380233  1
  Ni  Ni77  1  0.025387  0.070758  0.373865  1
  Ni  Ni78  1  0.786266  0.551548  0.394406  1
  Ni  Ni79  1  0.046633  0.695268  0.400338  1
  Ni  Ni80  1  0.806151  0.174993  0.421287  1
  Ni  Ni81  1  0.546838  0.033361  0.415089  1
  Ni  Ni82  1  0.306483  0.513073  0.436162  1
  Ni  Ni83  1  0.566031  0.655680  0.442201  1
  Ni  Ni84  1  0.326586  0.135852  0.463415  1
  Ni  Ni85  1  0.066617  0.992711  0.457147  1
  Ni  Ni86  1  0.826579  0.473139  0.478076  1
  Ni  Ni87  1  0.086284  0.615992  0.484286  1
  Ni  Ni88  1  0.846364  0.096028  0.505256  1
  Ni  Ni89  1  0.586229  0.953408  0.498993  1
  Ni  Ni90  1  0.346326  0.433349  0.519995  1
  Ni  Ni91  1  0.605985  0.576208  0.526201  1
  Ni  Ni92  1  0.365947  0.056728  0.547115  1
  Ni  Ni93  1  0.105867  0.913584  0.540804  1
  Ni  Ni94  1  0.866643  0.393672  0.562136  1
  Ni  Ni95  1  0.126035  0.536253  0.568127  1
  Ni  Ni96  1  0.885852  0.016116  0.589116  1
  Ni  Ni97  1  0.626420  0.874494  0.582944  1
  Ni  Ni98  1  0.385815  0.354081  0.603975  1
  Ni  Ni99  1  0.646641  0.497848  0.609851  1
  Ni  Ni100  1  0.407620  0.978681  0.630252  1
  Ni  Ni101  1  0.144500  0.832737  0.623972  1
  Ni  Ni102  1  0.906914  0.314728  0.646124  1
  Ni  Ni103  1  0.167705  0.457750  0.652111  1
  Ni  Ni104  1  0.927665  0.932598  0.673161  1
  Ni  Ni105  1  0.666835  0.793948  0.667679  1
  Ni  Ni106  1  0.431040  0.277462  0.686967  1
  Ni  Ni107  1  0.682770  0.408230  0.694343  1
  Ni  Ni108  1  0.438227  0.897616  0.711659  1
  Ni  Ni109  1  0.193098  0.759438  0.705951  1
  Ni  Ni110  1  0.922000  0.235472  0.724021  1
