# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98883842
_cell_length_b   13.90910949
_cell_length_c   52.32119183
_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   'Al48 Ni80'
_cell_volume   2902.84199955
_cell_formula_units_Z   16
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  1.001382  0.839874  0.316897  1
  Al  Al2  1  1.001382  0.166818  0.255042  1
  Al  Al3  1  0.501382  0.754521  0.283357  1
  Al  Al4  1  0.501382  0.418928  0.346284  1
  Al  Al5  1  0.501382  0.924715  0.348946  1
  Al  Al6  1  0.501382  0.259571  0.286890  1
  Al  Al7  1  1.001382  0.171865  0.348103  1
  Al  Al8  1  1.001382  0.507251  0.284956  1
  Al  Al9  1  0.501382  0.086651  0.316351  1
  Al  Al10  1  0.501382  0.751221  0.377880  1
  Al  Al11  1  0.501382  0.933090  0.255591  1
  Al  Al12  1  0.501382  0.591699  0.317852  1
  Al  Al13  1  1.001382  0.169379  0.441982  1
  Al  Al14  1  1.001382  0.504613  0.379159  1
  Al  Al15  1  0.501382  0.083807  0.409625  1
  Al  Al16  1  0.501382  0.748887  0.471986  1
  Al  Al17  1  0.501382  0.254984  0.474386  1
  Al  Al18  1  0.501382  0.589899  0.411670  1
  Al  Al19  1  1.001382  0.502001  0.473179  1
  Al  Al20  1  1.001382  0.837041  0.410600  1
  Al  Al21  1  0.501382  0.416445  0.440639  1
  Al  Al22  1  0.501382  0.081392  0.503424  1
  Al  Al23  1  0.501382  0.257640  0.380530  1
  Al  Al24  1  0.501382  0.922337  0.442995  1
  Al  Al25  1  1.001382  0.499532  0.567216  1
  Al  Al26  1  1.001382  0.834523  0.504486  1
  Al  Al27  1  0.501382  0.413895  0.534635  1
  Al  Al28  1  0.501382  0.078831  0.597316  1
  Al  Al29  1  0.501382  0.584867  0.599565  1
  Al  Al30  1  0.501382  0.919944  0.536928  1
  Al  Al31  1  1.001382  0.832240  0.598362  1
  Al  Al32  1  1.001382  0.166973  0.535888  1
  Al  Al33  1  0.501382  0.746382  0.565907  1
  Al  Al34  1  0.501382  0.411095  0.628434  1
  Al  Al35  1  0.501382  0.587451  0.505631  1
  Al  Al36  1  0.501382  0.252427  0.568326  1
  Al  Al37  1  1.001382  0.830185  0.692076  1
  Al  Al38  1  1.001382  0.164612  0.629841  1
  Al  Al39  1  0.501382  0.743514  0.659646  1
  Al  Al40  1  0.501382  0.407345  0.721597  1
  Al  Al41  1  0.501382  0.911105  0.724283  1
  Al  Al42  1  0.501382  0.249786  0.662510  1
  Al  Al43  1  1.001382  0.163635  0.723384  1
  Al  Al44  1  1.001382  0.496901  0.661682  1
  Al  Al45  1  0.501382  0.075790  0.690801  1
  Al  Al46  1  0.501382  0.736368  0.751899  1
  Al  Al47  1  0.501382  0.917482  0.630832  1
  Al  Al48  1  0.501382  0.581855  0.693062  1
  Ni  Ni49  1  1.001382  0.007637  0.284639  1
  Ni  Ni50  1  1.001382  0.672139  0.348309  1
  Ni  Ni51  1  1.001382  0.172779  0.301593  1
  Ni  Ni52  1  1.001382  0.838485  0.363722  1
  Ni  Ni53  1  1.001382  0.338513  0.363624  1
  Ni  Ni54  1  1.001382  0.673968  0.302186  1
  Ni  Ni55  1  0.501382  0.093926  0.271666  1
  Ni  Ni56  1  0.501382  0.757323  0.331348  1
  Ni  Ni57  1  0.501382  0.921456  0.301505  1
  Ni  Ni58  1  0.501382  0.585457  0.363963  1
  Ni  Ni59  1  1.001382  0.674631  0.257036  1
  Ni  Ni60  1  1.001382  0.339718  0.317103  1
  Ni  Ni61  1  1.001382  0.843175  0.270920  1
  Ni  Ni62  1  1.001382  0.506339  0.332132  1
  Ni  Ni63  1  1.001382  0.005599  0.332111  1
  Ni  Ni64  1  1.001382  0.339601  0.271168  1
  Ni  Ni65  1  0.501382  0.090271  0.363584  1
  Ni  Ni66  1  0.501382  0.425291  0.299833  1
  Ni  Ni67  1  0.501382  0.253362  0.332995  1
  Ni  Ni68  1  0.501382  0.587357  0.271209  1
  Ni  Ni69  1  1.001382  0.337080  0.410563  1
  Ni  Ni70  1  1.001382  0.001937  0.473257  1
  Ni  Ni71  1  1.001382  0.503304  0.426182  1
  Ni  Ni72  1  1.001382  0.168199  0.488929  1
  Ni  Ni73  1  1.001382  0.668253  0.488846  1
  Ni  Ni74  1  1.001382  0.003133  0.426298  1
  Ni  Ni75  1  0.501382  0.423139  0.394290  1
  Ni  Ni76  1  0.501382  0.087789  0.457231  1
  Ni  Ni77  1  0.501382  0.250909  0.426723  1
  Ni  Ni78  1  0.501382  0.915954  0.489228  1
  Ni  Ni79  1  1.001382  0.004455  0.379254  1
  Ni  Ni80  1  1.001382  0.669499  0.441896  1
  Ni  Ni81  1  1.001382  0.170591  0.395038  1
  Ni  Ni82  1  1.001382  0.835754  0.457540  1
  Ni  Ni83  1  1.001382  0.335765  0.457533  1
  Ni  Ni84  1  1.001382  0.670849  0.394988  1
  Ni  Ni85  1  0.501382  0.420478  0.488392  1
  Ni  Ni86  1  0.501382  0.755328  0.425707  1
  Ni  Ni87  1  0.501382  0.583396  0.457909  1
  Ni  Ni88  1  0.501382  0.918381  0.395225  1
  Ni  Ni89  1  1.001382  0.667003  0.535827  1
  Ni  Ni90  1  1.001382  0.332117  0.598493  1
  Ni  Ni91  1  1.001382  0.833312  0.551433  1
  Ni  Ni92  1  1.001382  0.498376  0.614351  1
  Ni  Ni93  1  1.001382  0.998347  0.614284  1
  Ni  Ni94  1  1.001382  0.333287  0.551520  1
  Ni  Ni95  1  0.501382  0.752927  0.519690  1
  Ni  Ni96  1  0.501382  0.417899  0.582290  1
  Ni  Ni97  1  0.501382  0.580850  0.551870  1
  Ni  Ni98  1  0.501382  0.245731  0.614590  1
  Ni  Ni99  1  1.001382  0.334520  0.504526  1
  Ni  Ni100  1  1.001382  0.999516  0.567223  1
  Ni  Ni101  1  1.001382  0.500768  0.520185  1
  Ni  Ni102  1  1.001382  0.165781  0.582856  1
  Ni  Ni103  1  1.001382  0.665833  0.582817  1
  Ni  Ni104  1  1.001382  0.000728  0.520223  1
  Ni  Ni105  1  0.501382  0.750452  0.613522  1
  Ni  Ni106  1  0.501382  0.085352  0.551106  1
  Ni  Ni107  1  0.501382  0.913476  0.583123  1
  Ni  Ni108  1  0.501382  0.248411  0.520612  1
  Ni  Ni109  1  1.001382  0.997053  0.661600  1
  Ni  Ni110  1  1.001382  0.666010  0.723699  1
  Ni  Ni111  1  1.001382  0.163366  0.676701  1
  Ni  Ni112  1  1.001382  0.830046  0.738216  1
  Ni  Ni113  1  1.001382  0.328206  0.737282  1
  Ni  Ni114  1  1.001382  0.663631  0.676856  1
  Ni  Ni115  1  0.501382  0.082836  0.644927  1
  Ni  Ni116  1  0.501382  0.747447  0.706372  1
  Ni  Ni117  1  0.501382  0.910499  0.676947  1
  Ni  Ni118  1  0.501382  0.571289  0.738114  1
  Ni  Ni119  1  1.001382  0.664571  0.629851  1
  Ni  Ni120  1  1.001382  0.330771  0.691787  1
  Ni  Ni121  1  1.001382  0.831097  0.645273  1
  Ni  Ni122  1  1.001382  0.497298  0.709081  1
  Ni  Ni123  1  1.001382  0.995429  0.709007  1
  Ni  Ni124  1  1.001382  0.330898  0.645429  1
  Ni  Ni125  1  0.501382  0.077412  0.737117  1
  Ni  Ni126  1  0.501382  0.415140  0.675728  1
  Ni  Ni127  1  0.501382  0.242638  0.708474  1
  Ni  Ni128  1  0.501382  0.577557  0.645750  1
