# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94789390
_cell_length_b   14.54328095
_cell_length_c   47.36779675
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.08078372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2693.70134737
_cell_formula_units_Z   18
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  0.171887  0.673377  0.316738  1
  Al  Al2  1  0.879040  0.257812  0.286603  1
  Al  Al3  1  0.580735  0.855931  0.265939  1
  Al  Al4  1  0.737403  0.542348  0.305782  1
  Al  Al5  1  0.450091  0.116265  0.280558  1
  Al  Al6  1  0.035373  0.945730  0.333147  1
  Al  Al7  1  0.309582  0.398947  0.302655  1
  Al  Al8  1  0.016480  0.984192  0.277364  1
  Al  Al9  1  0.600028  0.817610  0.329002  1
  Al  Al10  1  0.052073  0.912657  0.394809  1
  Al  Al11  1  0.759241  0.498587  0.367809  1
  Al  Al12  1  0.464668  0.087363  0.343020  1
  Al  Al13  1  0.622896  0.770547  0.384089  1
  Al  Al14  1  0.330055  0.355913  0.357488  1
  Al  Al15  1  0.916338  0.183494  0.409240  1
  Al  Al16  1  0.188591  0.640321  0.378927  1
  Al  Al17  1  0.894006  0.228689  0.352641  1
  Al  Al18  1  0.481719  0.053688  0.405027  1
  Al  Al19  1  0.934057  0.148435  0.471221  1
  Al  Al20  1  0.640527  0.735625  0.445584  1
  Al  Al21  1  0.346178  0.324212  0.419690  1
  Al  Al22  1  0.504338  0.007389  0.460735  1
  Al  Al23  1  0.211060  0.594061  0.434831  1
  Al  Al24  1  0.798310  0.419447  0.486389  1
  Al  Al25  1  0.070179  0.876795  0.456278  1
  Al  Al26  1  0.776079  0.465104  0.430068  1
  Al  Al27  1  0.363502  0.290004  0.481759  1
  Al  Al28  1  0.815452  0.385581  0.548320  1
  Al  Al29  1  0.522226  0.971924  0.522509  1
  Al  Al30  1  0.228052  0.560437  0.496964  1
  Al  Al31  1  0.385959  0.244112  0.537421  1
  Al  Al32  1  0.092685  0.830568  0.512034  1
  Al  Al33  1  0.680192  0.655384  0.563999  1
  Al  Al34  1  0.951878  0.113203  0.532935  1
  Al  Al35  1  0.657911  0.701187  0.507510  1
  Al  Al36  1  0.245025  0.526828  0.559184  1
  Al  Al37  1  0.697241  0.621510  0.626386  1
  Al  Al38  1  0.404287  0.207953  0.598543  1
  Al  Al39  1  0.110142  0.796019  0.574255  1
  Al  Al40  1  0.267958  0.480075  0.615384  1
  Al  Al41  1  0.974287  0.066824  0.588317  1
  Al  Al42  1  0.561839  0.891908  0.641404  1
  Al  Al43  1  0.833172  0.350566  0.609809  1
  Al  Al44  1  0.540153  0.936330  0.584520  1
  Al  Al45  1  0.125667  0.765376  0.636587  1
  Al  Al46  1  0.573701  0.868559  0.708216  1
  Al  Al47  1  0.283674  0.449231  0.678064  1
  Al  Al48  1  0.991766  0.031801  0.649835  1
  Al  Al49  1  0.144985  0.723457  0.690954  1
  Al  Al50  1  0.857867  0.301457  0.664570  1
  Al  Al51  1  0.433137  0.143098  0.714362  1
  Al  Al52  1  0.719679  0.576496  0.689104  1
  Al  Al53  1  0.420776  0.175950  0.659720  1
  Al  Al54  1  1.000538  0.012952  0.712293  1
  Ni  Ni55  1  0.800080  0.417812  0.273012  1
  Ni  Ni56  1  0.389761  0.236604  0.319392  1
  Ni  Ni57  1  0.096240  0.824891  0.296335  1
  Ni  Ni58  1  0.248189  0.520701  0.339190  1
  Ni  Ni59  1  0.953534  0.109501  0.314024  1
  Ni  Ni60  1  0.654951  0.707070  0.289210  1
  Ni  Ni61  1  0.682051  0.653171  0.346652  1
  Ni  Ni62  1  0.270571  0.475961  0.397005  1
  Ni  Ni63  1  0.975867  0.065112  0.372081  1
  Ni  Ni64  1  0.128883  0.758791  0.416580  1
  Ni  Ni65  1  0.834860  0.346685  0.390456  1
  Ni  Ni66  1  0.540458  0.935752  0.365893  1
  Ni  Ni67  1  0.564149  0.888648  0.423576  1
  Ni  Ni68  1  0.152215  0.712366  0.474533  1
  Ni  Ni69  1  0.857748  0.301219  0.448870  1
  Ni  Ni70  1  0.010424  0.995417  0.493494  1
  Ni  Ni71  1  0.716684  0.583054  0.467780  1
  Ni  Ni72  1  0.422162  0.172090  0.442248  1
  Ni  Ni73  1  0.445807  0.125076  0.500246  1
  Ni  Ni74  1  0.034248  0.947980  0.551456  1
  Ni  Ni75  1  0.739395  0.537865  0.526141  1
  Ni  Ni76  1  0.891933  0.232460  0.570031  1
  Ni  Ni77  1  0.598549  0.819089  0.544981  1
  Ni  Ni78  1  0.303927  0.408484  0.519333  1
  Ni  Ni79  1  0.327138  0.362370  0.577316  1
  Ni  Ni80  1  0.916167  0.184476  0.627264  1
  Ni  Ni81  1  0.621456  0.773518  0.603602  1
  Ni  Ni82  1  0.774699  0.466953  0.647715  1
  Ni  Ni83  1  0.479927  0.055538  0.621221  1
  Ni  Ni84  1  0.185702  0.644524  0.597184  1
  Ni  Ni85  1  0.207876  0.600278  0.655065  1
  Ni  Ni86  1  0.805776  0.405538  0.704828  1
  Ni  Ni87  1  0.500863  0.013270  0.679239  1
  Ni  Ni88  1  0.653320  0.706851  0.720104  1
  Ni  Ni89  1  0.360893  0.296524  0.696848  1
  Ni  Ni90  1  0.065061  0.885831  0.675008  1
