# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79157607
_cell_length_b   7.30302440
_cell_length_c   47.64337624
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   56.76223381
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al42 Ni70'
_cell_volume   2849.53223328
_cell_formula_units_Z   14
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  0.715354  0.449169  0.316537  1
  Al  Al2  1  0.006954  0.087312  0.305765  1
  Al  Al3  1  0.388357  0.807816  0.335393  1
  Al  Al4  1  0.215354  0.449169  0.316537  1
  Al  Al5  1  0.506954  0.087312  0.305765  1
  Al  Al6  1  0.888357  0.807816  0.335393  1
  Al  Al7  1  0.542752  0.828974  0.382627  1
  Al  Al8  1  0.857716  0.468414  0.367295  1
  Al  Al9  1  0.237199  0.189309  0.396187  1
  Al  Al10  1  0.042752  0.828974  0.382627  1
  Al  Al11  1  0.357716  0.468414  0.367295  1
  Al  Al12  1  0.737199  0.189309  0.396187  1
  Al  Al13  1  0.389914  0.211041  0.444652  1
  Al  Al14  1  0.697556  0.851682  0.430666  1
  Al  Al15  1  0.083729  0.569640  0.458739  1
  Al  Al16  1  0.889914  0.211041  0.444652  1
  Al  Al17  1  0.197556  0.851682  0.430666  1
  Al  Al18  1  0.583729  0.569640  0.458739  1
  Al  Al19  1  0.235634  0.591936  0.507141  1
  Al  Al20  1  0.542966  0.232737  0.492955  1
  Al  Al21  1  0.927447  0.951124  0.521466  1
  Al  Al22  1  0.735634  0.591936  0.507141  1
  Al  Al23  1  0.042966  0.232737  0.492955  1
  Al  Al24  1  0.427447  0.951124  0.521466  1
  Al  Al25  1  0.080343  0.973102  0.569701  1
  Al  Al26  1  0.387731  0.613913  0.555511  1
  Al  Al27  1  0.772190  0.332643  0.583903  1
  Al  Al28  1  0.580343  0.973102  0.569701  1
  Al  Al29  1  0.887731  0.613913  0.555511  1
  Al  Al30  1  0.272190  0.332643  0.583903  1
  Al  Al31  1  0.926193  0.353536  0.632016  1
  Al  Al32  1  0.233368  0.994402  0.618229  1
  Al  Al33  1  0.615524  0.715873  0.646339  1
  Al  Al34  1  0.426193  0.353536  0.632016  1
  Al  Al35  1  0.733368  0.994402  0.618229  1
  Al  Al36  1  0.115524  0.715873  0.646339  1
  Al  Al37  1  0.774111  0.727102  0.698190  1
  Al  Al38  1  0.075132  0.377466  0.680353  1
  Al  Al39  1  0.464904  0.109324  0.708592  1
  Al  Al40  1  0.274111  0.727102  0.698190  1
  Al  Al41  1  0.575132  0.377466  0.680353  1
  Al  Al42  1  0.964904  0.109324  0.708592  1
  Ni  Ni43  1  0.762601  0.752335  0.290298  1
  Ni  Ni44  1  0.510693  0.755485  0.289737  1
  Ni  Ni45  1  0.965767  0.448341  0.318824  1
  Ni  Ni46  1  0.654451  0.779107  0.337768  1
  Ni  Ni47  1  0.743705  0.110806  0.302718  1
  Ni  Ni48  1  0.262601  0.752335  0.290298  1
  Ni  Ni49  1  0.010693  0.755485  0.289737  1
  Ni  Ni50  1  0.465767  0.448341  0.318824  1
  Ni  Ni51  1  0.154451  0.779107  0.337768  1
  Ni  Ni52  1  0.243705  0.110806  0.302718  1
  Ni  Ni53  1  0.621952  0.136959  0.351237  1
  Ni  Ni54  1  0.371181  0.139734  0.350805  1
  Ni  Ni55  1  0.793140  0.827804  0.382750  1
  Ni  Ni56  1  0.502767  0.161714  0.399171  1
  Ni  Ni57  1  0.594008  0.495162  0.363962  1
  Ni  Ni58  1  0.121952  0.136959  0.351237  1
  Ni  Ni59  1  0.871181  0.139734  0.350805  1
  Ni  Ni60  1  0.293140  0.827804  0.382750  1
  Ni  Ni61  1  0.002767  0.161714  0.399171  1
  Ni  Ni62  1  0.094008  0.495162  0.363962  1
  Ni  Ni63  1  0.471027  0.519937  0.413039  1
  Ni  Ni64  1  0.220735  0.520368  0.413019  1
  Ni  Ni65  1  0.640051  0.210817  0.444634  1
  Ni  Ni66  1  0.349336  0.542645  0.461503  1
  Ni  Ni67  1  0.431565  0.879033  0.427907  1
  Ni  Ni68  1  0.971027  0.519937  0.413039  1
  Ni  Ni69  1  0.720735  0.520368  0.413019  1
  Ni  Ni70  1  0.140051  0.210817  0.444634  1
  Ni  Ni71  1  0.849336  0.542645  0.461503  1
  Ni  Ni72  1  0.931565  0.879033  0.427907  1
  Ni  Ni73  1  0.312632  0.901247  0.475994  1
  Ni  Ni74  1  0.062516  0.901325  0.476013  1
  Ni  Ni75  1  0.485673  0.591904  0.507145  1
  Ni  Ni76  1  0.193170  0.924058  0.524176  1
  Ni  Ni77  1  0.277306  0.259780  0.490225  1
  Ni  Ni78  1  0.812632  0.901247  0.475994  1
  Ni  Ni79  1  0.562516  0.901325  0.476013  1
  Ni  Ni80  1  0.985673  0.591904  0.507145  1
  Ni  Ni81  1  0.693170  0.924058  0.524176  1
  Ni  Ni82  1  0.777306  0.259780  0.490225  1
  Ni  Ni83  1  0.157650  0.282471  0.538457  1
  Ni  Ni84  1  0.907625  0.282585  0.538435  1
  Ni  Ni85  1  0.330192  0.973082  0.569779  1
  Ni  Ni86  1  0.038300  0.304920  0.586644  1
  Ni  Ni87  1  0.122028  0.641052  0.552769  1
  Ni  Ni88  1  0.657650  0.282471  0.538457  1
  Ni  Ni89  1  0.407625  0.282585  0.538435  1
  Ni  Ni90  1  0.830192  0.973082  0.569779  1
  Ni  Ni91  1  0.538300  0.304920  0.586644  1
  Ni  Ni92  1  0.622028  0.641052  0.552769  1
  Ni  Ni93  1  0.001218  0.663856  0.601131  1
  Ni  Ni94  1  0.751797  0.663746  0.601059  1
  Ni  Ni95  1  0.174381  0.355886  0.632086  1
  Ni  Ni96  1  0.880065  0.687573  0.650140  1
  Ni  Ni97  1  0.967307  0.022715  0.615112  1
  Ni  Ni98  1  0.501218  0.663856  0.601131  1
  Ni  Ni99  1  0.251797  0.663746  0.601059  1
  Ni  Ni100  1  0.674381  0.355886  0.632086  1
  Ni  Ni101  1  0.380065  0.687573  0.650140  1
  Ni  Ni102  1  0.467307  0.022715  0.615112  1
  Ni  Ni103  1  0.849404  0.046749  0.662981  1
  Ni  Ni104  1  0.601729  0.039921  0.663784  1
  Ni  Ni105  1  0.021163  0.737071  0.694976  1
  Ni  Ni106  1  0.734875  0.070352  0.710828  1
  Ni  Ni107  1  0.807641  0.407821  0.676693  1
  Ni  Ni108  1  0.349404  0.046749  0.662981  1
  Ni  Ni109  1  0.101729  0.039921  0.663784  1
  Ni  Ni110  1  0.521163  0.737071  0.694976  1
  Ni  Ni111  1  0.234875  0.070352  0.710828  1
  Ni  Ni112  1  0.307641  0.407821  0.676693  1
