# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55126957
_cell_length_b   7.26765014
_cell_length_c   48.60496533
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al42 Ni70'
_cell_volume   2667.43978649
_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  0.499124  0.039545  0.264784  1
  Al  Al2  1  0.768566  0.185555  0.300079  1
  Al  Al3  1  0.229682  0.185555  0.300079  1
  Al  Al4  1  -0.000876  0.691149  0.295987  1
  Al  Al5  1  0.270920  0.821939  0.333671  1
  Al  Al6  1  0.727328  0.821939  0.333671  1
  Al  Al7  1  0.499124  0.327851  0.332209  1
  Al  Al8  1  0.772857  0.458455  0.365408  1
  Al  Al9  1  0.225391  0.458455  0.365408  1
  Al  Al10  1  -0.000876  0.955703  0.366612  1
  Al  Al11  1  0.271938  0.093411  0.399449  1
  Al  Al12  1  0.726310  0.093411  0.399449  1
  Al  Al13  1  0.499124  0.592321  0.399596  1
  Al  Al14  1  0.771741  0.728581  0.432923  1
  Al  Al15  1  0.226507  0.728581  0.432923  1
  Al  Al16  1  -0.000876  0.228987  0.432669  1
  Al  Al17  1  0.271548  0.364245  0.465988  1
  Al  Al18  1  0.726701  0.364245  0.465988  1
  Al  Al19  1  0.499124  0.863839  0.466247  1
  Al  Al20  1  0.771607  0.999579  0.499477  1
  Al  Al21  1  0.226641  0.999579  0.499477  1
  Al  Al22  1  -0.000876  0.499362  0.499464  1
  Al  Al23  1  0.271523  0.634852  0.532837  1
  Al  Al24  1  0.726725  0.634852  0.532837  1
  Al  Al25  1  0.499124  0.134929  0.532851  1
  Al  Al26  1  0.771619  0.270183  0.566230  1
  Al  Al27  1  0.226629  0.270183  0.566230  1
  Al  Al28  1  -0.000876  0.770631  0.566120  1
  Al  Al29  1  0.271605  0.905778  0.599577  1
  Al  Al30  1  0.726643  0.905778  0.599577  1
  Al  Al31  1  0.499124  0.406036  0.599391  1
  Al  Al32  1  0.772627  0.540973  0.632787  1
  Al  Al33  1  0.225621  0.540973  0.632787  1
  Al  Al34  1  -0.000876  0.041864  0.632877  1
  Al  Al35  1  0.272963  0.175747  0.666189  1
  Al  Al36  1  0.725285  0.175747  0.666189  1
  Al  Al37  1  0.499124  0.678754  0.665380  1
  Al  Al38  1  0.774101  0.810493  0.699619  1
  Al  Al39  1  0.224147  0.810493  0.699619  1
  Al  Al40  1  -0.000876  0.313142  0.700903  1
  Al  Al41  1  0.283738  0.449710  0.732179  1
  Al  Al42  1  0.714510  0.449710  0.732179  1
  Ni  Ni43  1  0.499124  0.688327  0.300811  1
  Ni  Ni44  1  0.245502  0.509043  0.314537  1
  Ni  Ni45  1  0.752746  0.509043  0.314537  1
  Ni  Ni46  1  0.499124  0.362764  0.283535  1
  Ni  Ni47  1  0.499124  0.021703  0.314969  1
  Ni  Ni48  1  -0.000876  0.047644  0.268678  1
  Ni  Ni49  1  0.744836  0.864069  0.284198  1
  Ni  Ni50  1  0.253412  0.864069  0.284198  1
  Ni  Ni51  1  -0.000876  0.985537  0.318597  1
  Ni  Ni52  1  -0.000876  0.380684  0.281481  1
  Ni  Ni53  1  0.499124  0.957241  0.366474  1
  Ni  Ni54  1  0.249400  0.773925  0.383092  1
  Ni  Ni55  1  0.748849  0.773925  0.383092  1
  Ni  Ni56  1  0.499124  0.624036  0.351344  1
  Ni  Ni57  1  0.499124  0.292469  0.380877  1
  Ni  Ni58  1  -0.000876  0.321441  0.332697  1
  Ni  Ni59  1  0.748332  0.139710  0.349588  1
  Ni  Ni60  1  0.249916  0.139710  0.349588  1
  Ni  Ni61  1  -0.000876  0.259778  0.384081  1
  Ni  Ni62  1  -0.000876  0.656764  0.346641  1
  Ni  Ni63  1  0.499124  0.229992  0.432544  1
  Ni  Ni64  1  0.249404  0.046573  0.449463  1
  Ni  Ni65  1  0.748844  0.046573  0.449463  1
  Ni  Ni66  1  0.499124  0.894902  0.417756  1
  Ni  Ni67  1  0.499124  0.562285  0.448038  1
  Ni  Ni68  1  -0.000876  0.593823  0.399027  1
  Ni  Ni69  1  0.749785  0.411958  0.415772  1
  Ni  Ni70  1  0.248463  0.411958  0.415772  1
  Ni  Ni71  1  -0.000876  0.530612  0.450808  1
  Ni  Ni72  1  -0.000876  0.926452  0.414869  1
  Ni  Ni73  1  0.499124  0.499438  0.499465  1
  Ni  Ni74  1  0.249126  0.317254  0.516119  1
  Ni  Ni75  1  0.749122  0.317254  0.516119  1
  Ni  Ni76  1  0.499124  0.166314  0.484194  1
  Ni  Ni77  1  0.499124  0.832955  0.514739  1
  Ni  Ni78  1  -0.000876  0.864044  0.466199  1
  Ni  Ni79  1  0.749196  0.681517  0.482868  1
  Ni  Ni80  1  0.249052  0.681517  0.482868  1
  Ni  Ni81  1  -0.000876  0.801403  0.517608  1
  Ni  Ni82  1  -0.000876  0.197708  0.481281  1
  Ni  Ni83  1  0.499124  0.770246  0.566146  1
  Ni  Ni84  1  0.248635  0.588060  0.582813  1
  Ni  Ni85  1  0.749613  0.588060  0.582813  1
  Ni  Ni86  1  0.499124  0.436806  0.550912  1
  Ni  Ni87  1  0.499124  0.103428  0.581542  1
  Ni  Ni88  1  -0.000876  0.134968  0.532822  1
  Ni  Ni89  1  0.749081  0.952672  0.549512  1
  Ni  Ni90  1  0.249168  0.952672  0.549512  1
  Ni  Ni91  1  -0.000876  0.072165  0.584333  1
  Ni  Ni92  1  -0.000876  0.468226  0.548094  1
  Ni  Ni93  1  0.499124  0.038918  0.633427  1
  Ni  Ni94  1  0.248275  0.858977  0.649556  1
  Ni  Ni95  1  0.749973  0.858977  0.649556  1
  Ni  Ni96  1  0.499124  0.707625  0.617377  1
  Ni  Ni97  1  0.499124  0.375547  0.647748  1
  Ni  Ni98  1  -0.000876  0.404743  0.599745  1
  Ni  Ni99  1  0.748376  0.222827  0.616316  1
  Ni  Ni100  1  0.249872  0.222827  0.616316  1
  Ni  Ni101  1  -0.000876  0.342095  0.651657  1
  Ni  Ni102  1  -0.000876  0.739872  0.614655  1
  Ni  Ni103  1  0.499124  0.314364  0.698410  1
  Ni  Ni104  1  0.250392  0.123635  0.716189  1
  Ni  Ni105  1  0.747856  0.123635  0.716189  1
  Ni  Ni106  1  0.499124  0.976636  0.686143  1
  Ni  Ni107  1  0.499124  0.659321  0.713424  1
  Ni  Ni108  1  -0.000876  0.677789  0.666096  1
  Ni  Ni109  1  0.750316  0.495298  0.682341  1
  Ni  Ni110  1  0.247932  0.495298  0.682341  1
  Ni  Ni111  1  -0.000876  0.614387  0.718154  1
  Ni  Ni112  1  -0.000876  0.012798  0.681457  1
