# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79408741
_cell_length_b   7.30195861
_cell_length_c   47.64448328
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   56.76223626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al42 Ni70'
_cell_volume   2849.91341679
_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  0.715124  0.449193  0.316536  1
  Al  Al2  1  0.006685  0.087340  0.305764  1
  Al  Al3  1  0.388098  0.807844  0.335396  1
  Al  Al4  1  0.215124  0.449193  0.316536  1
  Al  Al5  1  0.506685  0.087340  0.305764  1
  Al  Al6  1  0.888098  0.807844  0.335396  1
  Al  Al7  1  0.542509  0.829009  0.382625  1
  Al  Al8  1  0.857486  0.468457  0.367288  1
  Al  Al9  1  0.236988  0.189351  0.396182  1
  Al  Al10  1  0.042509  0.829009  0.382625  1
  Al  Al11  1  0.357486  0.468457  0.367288  1
  Al  Al12  1  0.736988  0.189351  0.396182  1
  Al  Al13  1  0.389721  0.211103  0.444644  1
  Al  Al14  1  0.697343  0.851747  0.430659  1
  Al  Al15  1  0.083558  0.569698  0.458729  1
  Al  Al16  1  0.889721  0.211103  0.444644  1
  Al  Al17  1  0.197343  0.851747  0.430659  1
  Al  Al18  1  0.583558  0.569698  0.458729  1
  Al  Al19  1  0.235483  0.592012  0.507128  1
  Al  Al20  1  0.542796  0.232815  0.492944  1
  Al  Al21  1  0.927304  0.951201  0.521454  1
  Al  Al22  1  0.735483  0.592012  0.507128  1
  Al  Al23  1  0.042796  0.232815  0.492944  1
  Al  Al24  1  0.427304  0.951201  0.521454  1
  Al  Al25  1  0.080225  0.973193  0.569685  1
  Al  Al26  1  0.387597  0.614005  0.555496  1
  Al  Al27  1  0.772085  0.332735  0.583886  1
  Al  Al28  1  0.580225  0.973193  0.569685  1
  Al  Al29  1  0.887597  0.614005  0.555496  1
  Al  Al30  1  0.272085  0.332735  0.583886  1
  Al  Al31  1  0.926109  0.353641  0.631998  1
  Al  Al32  1  0.233271  0.994513  0.618209  1
  Al  Al33  1  0.615455  0.715975  0.646319  1
  Al  Al34  1  0.426109  0.353641  0.631998  1
  Al  Al35  1  0.733271  0.994513  0.618209  1
  Al  Al36  1  0.115455  0.715975  0.646319  1
  Al  Al37  1  0.774066  0.727219  0.698167  1
  Al  Al38  1  0.075053  0.377601  0.680326  1
  Al  Al39  1  0.464910  0.109433  0.708570  1
  Al  Al40  1  0.274066  0.727219  0.698167  1
  Al  Al41  1  0.575053  0.377601  0.680326  1
  Al  Al42  1  0.964910  0.109433  0.708570  1
  Ni  Ni43  1  0.762298  0.752352  0.290300  1
  Ni  Ni44  1  0.510403  0.755471  0.289742  1
  Ni  Ni45  1  0.965535  0.448371  0.318818  1
  Ni  Ni46  1  0.654190  0.779156  0.337770  1
  Ni  Ni47  1  0.743442  0.110816  0.302719  1
  Ni  Ni48  1  0.262298  0.752352  0.290300  1
  Ni  Ni49  1  0.010403  0.755471  0.289742  1
  Ni  Ni50  1  0.465535  0.448371  0.318818  1
  Ni  Ni51  1  0.154190  0.779156  0.337770  1
  Ni  Ni52  1  0.243442  0.110816  0.302719  1
  Ni  Ni53  1  0.621707  0.137004  0.351234  1
  Ni  Ni54  1  0.370944  0.139764  0.350803  1
  Ni  Ni55  1  0.792893  0.827848  0.382748  1
  Ni  Ni56  1  0.502556  0.161767  0.399165  1
  Ni  Ni57  1  0.593780  0.495191  0.363956  1
  Ni  Ni58  1  0.121707  0.137004  0.351234  1
  Ni  Ni59  1  0.870944  0.139764  0.350803  1
  Ni  Ni60  1  0.292893  0.827848  0.382748  1
  Ni  Ni61  1  0.002556  0.161767  0.399165  1
  Ni  Ni62  1  0.093780  0.495191  0.363956  1
  Ni  Ni63  1  0.470831  0.519991  0.413031  1
  Ni  Ni64  1  0.220540  0.520421  0.413011  1
  Ni  Ni65  1  0.639859  0.210880  0.444626  1
  Ni  Ni66  1  0.349169  0.542711  0.461493  1
  Ni  Ni67  1  0.431347  0.879090  0.427901  1
  Ni  Ni68  1  0.970831  0.519991  0.413031  1
  Ni  Ni69  1  0.720540  0.520421  0.413011  1
  Ni  Ni70  1  0.139859  0.210880  0.444626  1
  Ni  Ni71  1  0.849169  0.542711  0.461493  1
  Ni  Ni72  1  0.931347  0.879090  0.427901  1
  Ni  Ni73  1  0.312455  0.901315  0.475984  1
  Ni  Ni74  1  0.062339  0.901394  0.476004  1
  Ni  Ni75  1  0.485522  0.591981  0.507132  1
  Ni  Ni76  1  0.193032  0.924141  0.524163  1
  Ni  Ni77  1  0.277132  0.259850  0.490214  1
  Ni  Ni78  1  0.812455  0.901315  0.475984  1
  Ni  Ni79  1  0.562339  0.901394  0.476004  1
  Ni  Ni80  1  0.985522  0.591981  0.507132  1
  Ni  Ni81  1  0.693032  0.924141  0.524163  1
  Ni  Ni82  1  0.777132  0.259850  0.490214  1
  Ni  Ni83  1  0.157512  0.282555  0.538443  1
  Ni  Ni84  1  0.907486  0.282669  0.538421  1
  Ni  Ni85  1  0.330073  0.973176  0.569763  1
  Ni  Ni86  1  0.038198  0.305019  0.586628  1
  Ni  Ni87  1  0.121891  0.641137  0.552753  1
  Ni  Ni88  1  0.657512  0.282555  0.538443  1
  Ni  Ni89  1  0.407486  0.282669  0.538421  1
  Ni  Ni90  1  0.830073  0.973176  0.569763  1
  Ni  Ni91  1  0.538198  0.305019  0.586628  1
  Ni  Ni92  1  0.621891  0.641137  0.552753  1
  Ni  Ni93  1  0.001113  0.663957  0.601113  1
  Ni  Ni94  1  0.751695  0.663844  0.601041  1
  Ni  Ni95  1  0.174299  0.355993  0.632066  1
  Ni  Ni96  1  0.879990  0.687695  0.650119  1
  Ni  Ni97  1  0.967209  0.022814  0.615092  1
  Ni  Ni98  1  0.501113  0.663957  0.601113  1
  Ni  Ni99  1  0.251695  0.663844  0.601041  1
  Ni  Ni100  1  0.674299  0.355993  0.632066  1
  Ni  Ni101  1  0.379990  0.687695  0.650119  1
  Ni  Ni102  1  0.467209  0.022814  0.615092  1
  Ni  Ni103  1  0.849351  0.046858  0.662958  1
  Ni  Ni104  1  0.601673  0.040029  0.663762  1
  Ni  Ni105  1  0.021119  0.737193  0.694954  1
  Ni  Ni106  1  0.734860  0.070519  0.710801  1
  Ni  Ni107  1  0.807567  0.407924  0.676673  1
  Ni  Ni108  1  0.349351  0.046858  0.662958  1
  Ni  Ni109  1  0.101673  0.040029  0.663762  1
  Ni  Ni110  1  0.521119  0.737193  0.694954  1
  Ni  Ni111  1  0.234860  0.070519  0.710801  1
  Ni  Ni112  1  0.307567  0.407924  0.676673  1
