# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75225274
_cell_length_b   16.22928201
_cell_length_c   52.69451174
_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   3208.90437077
_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  1.003485  0.848957  0.304084  1
  Al  Al2  1  1.003485  0.273479  0.359327  1
  Al  Al3  1  0.503485  0.737100  0.288616  1
  Al  Al4  1  0.503485  0.158126  0.344450  1
  Al  Al5  1  0.503485  0.965412  0.320049  1
  Al  Al6  1  0.503485  0.389002  0.374265  1
  Al  Al7  1  1.003485  0.137037  0.274637  1
  Al  Al8  1  1.003485  0.561622  0.331219  1
  Al  Al9  1  0.503485  0.870476  0.372245  1
  Al  Al10  1  0.503485  0.443879  0.315621  1
  Al  Al11  1  0.503485  0.676554  0.346700  1
  Al  Al12  1  0.503485  0.255368  0.290977  1
  Al  Al13  1  1.003485  0.697468  0.414760  1
  Al  Al14  1  1.003485  0.121948  0.470582  1
  Al  Al15  1  0.503485  0.582023  0.399450  1
  Al  Al16  1  0.503485  0.006577  0.455488  1
  Al  Al17  1  0.503485  0.813058  0.430065  1
  Al  Al18  1  0.503485  0.237287  0.485618  1
  Al  Al19  1  1.003485  0.985813  0.387399  1
  Al  Al20  1  1.003485  0.409781  0.442564  1
  Al  Al21  1  0.503485  0.718438  0.483056  1
  Al  Al22  1  0.503485  0.294490  0.427545  1
  Al  Al23  1  0.503485  0.525090  0.457629  1
  Al  Al24  1  0.503485  0.101402  0.402446  1
  Al  Al25  1  0.003485  0.545826  0.525844  1
  Al  Al26  1  0.003485  0.969977  0.581638  1
  Al  Al27  1  0.503485  0.430455  0.510789  1
  Al  Al28  1  0.503485  0.854708  0.566598  1
  Al  Al29  1  0.503485  0.661288  0.541045  1
  Al  Al30  1  0.503485  0.085422  0.596822  1
  Al  Al31  1  0.003485  0.833827  0.498249  1
  Al  Al32  1  0.003485  0.257936  0.553808  1
  Al  Al33  1  0.503485  0.566297  0.593916  1
  Al  Al34  1  0.503485  0.142610  0.538772  1
  Al  Al35  1  0.503485  0.373272  0.568871  1
  Al  Al36  1  0.503485  0.949267  0.513424  1
  Al  Al37  1  0.003485  0.394594  0.636945  1
  Al  Al38  1  0.003485  0.817624  0.692218  1
  Al  Al39  1  0.503485  0.278882  0.621978  1
  Al  Al40  1  0.503485  0.700590  0.676252  1
  Al  Al41  1  0.503485  0.510010  0.652229  1
  Al  Al42  1  0.503485  0.931144  0.708464  1
  Al  Al43  1  0.003485  0.681942  0.609073  1
  Al  Al44  1  0.003485  0.106959  0.664107  1
  Al  Al45  1  0.503485  0.412831  0.705149  1
  Al  Al46  1  0.503485  0.990872  0.650120  1
  Al  Al47  1  0.503485  0.224228  0.680505  1
  Al  Al48  1  0.503485  0.797618  0.624519  1
  Ni  Ni49  1  1.003485  0.773713  0.359641  1
  Ni  Ni50  1  1.003485  0.349128  0.303245  1
  Ni  Ni51  1  1.003485  0.917324  0.345836  1
  Ni  Ni52  1  1.003485  0.496090  0.289261  1
  Ni  Ni53  1  1.003485  0.705878  0.318466  1
  Ni  Ni54  1  1.003485  0.129731  0.373368  1
  Ni  Ni55  1  0.503485  0.814733  0.329697  1
  Ni  Ni56  1  0.503485  0.238898  0.384946  1
  Ni  Ni57  1  0.503485  0.892031  0.278330  1
  Ni  Ni58  1  0.503485  0.307966  0.333915  1
  Ni  Ni59  1  1.003485  0.061203  0.331685  1
  Ni  Ni60  1  1.003485  0.642390  0.276957  1
  Ni  Ni61  1  1.003485  0.629350  0.372928  1
  Ni  Ni62  1  1.003485  0.204570  0.317774  1
  Ni  Ni63  1  1.003485  0.993959  0.289574  1
  Ni  Ni64  1  1.003485  0.417345  0.345174  1
  Ni  Ni65  1  0.503485  0.102477  0.302001  1
  Ni  Ni66  1  0.503485  0.525887  0.356598  1
  Ni  Ni67  1  0.503485  0.021070  0.362039  1
  Ni  Ni68  1  0.503485  0.595430  0.305328  1
  Ni  Ni69  1  0.003485  0.621742  0.470321  1
  Ni  Ni70  1  1.003485  0.197918  0.414973  1
  Ni  Ni71  1  1.003485  0.765724  0.456510  1
  Ni  Ni72  1  1.003485  0.341778  0.400925  1
  Ni  Ni73  1  1.003485  0.553602  0.428566  1
  Ni  Ni74  1  0.003485  0.977903  0.484451  1
  Ni  Ni75  1  0.503485  0.662687  0.440317  1
  Ni  Ni76  1  0.503485  0.087002  0.496146  1
  Ni  Ni77  1  0.503485  0.732420  0.389358  1
  Ni  Ni78  1  0.503485  0.156922  0.445009  1
  Ni  Ni79  1  1.003485  0.909873  0.442795  1
  Ni  Ni80  1  1.003485  0.485528  0.386805  1
  Ni  Ni81  1  0.003485  0.477789  0.484211  1
  Ni  Ni82  1  1.003485  0.053956  0.428982  1
  Ni  Ni83  1  1.003485  0.841749  0.401174  1
  Ni  Ni84  1  1.003485  0.265897  0.456591  1
  Ni  Ni85  1  0.503485  0.950963  0.412876  1
  Ni  Ni86  1  0.503485  0.374877  0.468184  1
  Ni  Ni87  1  0.503485  0.868751  0.472714  1
  Ni  Ni88  1  0.503485  0.444625  0.416917  1
  Ni  Ni89  1  0.003485  0.469795  0.581432  1
  Ni  Ni90  1  0.003485  0.045972  0.526122  1
  Ni  Ni91  1  0.003485  0.613831  0.567460  1
  Ni  Ni92  1  0.003485  0.189936  0.512194  1
  Ni  Ni93  1  0.003485  0.401847  0.539820  1
  Ni  Ni94  1  0.003485  0.826269  0.595721  1
  Ni  Ni95  1  0.503485  0.510831  0.551387  1
  Ni  Ni96  1  0.503485  0.935271  0.607386  1
  Ni  Ni97  1  0.503485  0.580749  0.500303  1
  Ni  Ni98  1  0.503485  0.004931  0.556078  1
  Ni  Ni99  1  0.003485  0.758062  0.553875  1
  Ni  Ni100  1  0.003485  0.333868  0.498207  1
  Ni  Ni101  1  0.003485  0.325902  0.595431  1
  Ni  Ni102  1  0.003485  0.901943  0.539958  1
  Ni  Ni103  1  0.003485  0.689888  0.512090  1
  Ni  Ni104  1  0.003485  0.113996  0.567816  1
  Ni  Ni105  1  0.503485  0.799032  0.523853  1
  Ni  Ni106  1  0.503485  0.223004  0.579422  1
  Ni  Ni107  1  0.503485  0.716918  0.583728  1
  Ni  Ni108  1  0.503485  0.292867  0.528221  1
  Ni  Ni109  1  0.003485  0.317612  0.693034  1
  Ni  Ni110  1  0.003485  0.894634  0.637696  1
  Ni  Ni111  1  0.003485  0.463238  0.678738  1
  Ni  Ni112  1  0.003485  0.037837  0.623246  1
  Ni  Ni113  1  0.003485  0.250928  0.651003  1
  Ni  Ni114  1  0.003485  0.670032  0.706858  1
  Ni  Ni115  1  0.503485  0.359718  0.662232  1
  Ni  Ni116  1  0.503485  0.773664  0.717578  1
  Ni  Ni117  1  0.503485  0.429096  0.611501  1
  Ni  Ni118  1  0.503485  0.852501  0.667137  1
  Ni  Ni119  1  0.003485  0.606338  0.664399  1
  Ni  Ni120  1  0.003485  0.181986  0.609533  1
  Ni  Ni121  1  0.003485  0.168742  0.706485  1
  Ni  Ni122  1  0.003485  0.750215  0.650580  1
  Ni  Ni123  1  0.003485  0.537945  0.622977  1
  Ni  Ni124  1  0.003485  0.964036  0.679596  1
  Ni  Ni125  1  0.503485  0.646698  0.634118  1
  Ni  Ni126  1  0.503485  0.072247  0.691143  1
  Ni  Ni127  1  0.503485  0.563628  0.695546  1
  Ni  Ni128  1  0.503485  0.141913  0.639457  1
