# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97166405
_cell_length_b   8.14346836
_cell_length_c   49.33120358
_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   2800.70634703
_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  0.504270  0.304906  0.269677  1
  Al  Al2  1  0.504270  0.629925  0.285502  1
  Al  Al3  1  0.504270  0.212053  0.323753  1
  Al  Al4  1  0.004270  0.926728  0.304330  1
  Al  Al5  1  0.004270  0.231794  0.322651  1
  Al  Al6  1  0.004270  0.613003  0.285987  1
  Al  Al7  1  0.504270  0.523163  0.338330  1
  Al  Al8  1  0.504270  0.830900  0.354712  1
  Al  Al9  1  0.504270  0.409555  0.389692  1
  Al  Al10  1  0.004270  0.120534  0.372431  1
  Al  Al11  1  0.004270  0.432919  0.387466  1
  Al  Al12  1  0.004270  0.808760  0.356006  1
  Al  Al13  1  0.504270  0.720205  0.405390  1
  Al  Al14  1  0.504270  0.031898  0.421174  1
  Al  Al15  1  0.504270  0.608858  0.456440  1
  Al  Al16  1  0.004270  0.320628  0.438762  1
  Al  Al17  1  0.004270  0.632014  0.454454  1
  Al  Al18  1  0.004270  0.008973  0.423165  1
  Al  Al19  1  0.504270  0.920347  0.472173  1
  Al  Al20  1  0.504270  0.231943  0.487853  1
  Al  Al21  1  0.504270  0.808656  0.523202  1
  Al  Al22  1  0.004270  0.520259  0.505526  1
  Al  Al23  1  0.004270  0.831775  0.521220  1
  Al  Al24  1  0.004270  0.208785  0.489846  1
  Al  Al25  1  0.504270  0.120178  0.538910  1
  Al  Al26  1  0.504270  0.431622  0.554608  1
  Al  Al27  1  0.504270  0.008580  0.589994  1
  Al  Al28  1  0.004270  0.720028  0.572231  1
  Al  Al29  1  0.004270  0.031582  0.587926  1
  Al  Al30  1  0.004270  0.408476  0.556577  1
  Al  Al31  1  0.504270  0.319882  0.605734  1
  Al  Al32  1  0.504270  0.631782  0.621263  1
  Al  Al33  1  0.504270  0.207291  0.656461  1
  Al  Al34  1  0.004270  0.919494  0.639120  1
  Al  Al35  1  0.004270  0.230594  0.655117  1
  Al  Al36  1  0.004270  0.608363  0.623182  1
  Al  Al37  1  0.504270  0.515977  0.671447  1
  Al  Al38  1  0.504270  0.828728  0.686886  1
  Al  Al39  1  0.504270  0.403282  0.723961  1
  Al  Al40  1  0.004270  0.121910  0.710745  1
  Al  Al41  1  0.004270  0.450114  0.722114  1
  Al  Al42  1  0.004270  0.803249  0.691113  1
  Ni  Ni43  1  0.004270  0.312239  0.275822  1
  Ni  Ni44  1  0.252793  0.719970  0.321507  1
  Ni  Ni45  1  0.258003  0.123155  0.290270  1
  Ni  Ni46  1  0.745829  0.422199  0.305223  1
  Ni  Ni47  1  0.262712  0.422199  0.305223  1
  Ni  Ni48  1  0.504270  0.924607  0.307060  1
  Ni  Ni49  1  0.750538  0.123155  0.290270  1
  Ni  Ni50  1  0.755748  0.719970  0.321507  1
  Ni  Ni51  1  0.263114  0.839682  0.274836  1
  Ni  Ni52  1  0.745427  0.839682  0.274836  1
  Ni  Ni53  1  0.004270  0.522283  0.337473  1
  Ni  Ni54  1  0.253872  0.920207  0.388823  1
  Ni  Ni55  1  0.254764  0.322360  0.355362  1
  Ni  Ni56  1  0.748591  0.620900  0.371780  1
  Ni  Ni57  1  0.259950  0.620900  0.371780  1
  Ni  Ni58  1  0.504270  0.120272  0.372233  1
  Ni  Ni59  1  0.753777  0.322360  0.355362  1
  Ni  Ni60  1  0.754669  0.920207  0.388823  1
  Ni  Ni61  1  0.246830  0.019834  0.339056  1
  Ni  Ni62  1  0.761711  0.019834  0.339056  1
  Ni  Ni63  1  0.004270  0.720629  0.405342  1
  Ni  Ni64  1  0.254278  0.120486  0.455495  1
  Ni  Ni65  1  0.254024  0.520644  0.422040  1
  Ni  Ni66  1  0.747795  0.820374  0.438799  1
  Ni  Ni67  1  0.260745  0.820374  0.438799  1
  Ni  Ni68  1  0.504270  0.320619  0.438797  1
  Ni  Ni69  1  0.754517  0.520644  0.422040  1
  Ni  Ni70  1  0.754263  0.120486  0.455495  1
  Ni  Ni71  1  0.248210  0.220896  0.405482  1
  Ni  Ni72  1  0.760331  0.220896  0.405482  1
  Ni  Ni73  1  0.004270  0.920350  0.472173  1
  Ni  Ni74  1  0.254304  0.320222  0.522219  1
  Ni  Ni75  1  0.254270  0.720286  0.488842  1
  Ni  Ni76  1  0.747809  0.020281  0.505535  1
  Ni  Ni77  1  0.260732  0.020281  0.505535  1
  Ni  Ni78  1  0.504270  0.520275  0.505522  1
  Ni  Ni79  1  0.754271  0.720286  0.488842  1
  Ni  Ni80  1  0.754236  0.320222  0.522219  1
  Ni  Ni81  1  0.247790  0.420429  0.472144  1
  Ni  Ni82  1  0.760751  0.420429  0.472144  1
  Ni  Ni83  1  0.004270  0.120185  0.538897  1
  Ni  Ni84  1  0.254347  0.519894  0.588952  1
  Ni  Ni85  1  0.254343  0.920151  0.555578  1
  Ni  Ni86  1  0.747698  0.220028  0.572302  1
  Ni  Ni87  1  0.260843  0.220028  0.572302  1
  Ni  Ni88  1  0.504270  0.720147  0.572252  1
  Ni  Ni89  1  0.754198  0.920151  0.555578  1
  Ni  Ni90  1  0.754193  0.519894  0.588952  1
  Ni  Ni91  1  0.247882  0.620125  0.538893  1
  Ni  Ni92  1  0.760659  0.620125  0.538893  1
  Ni  Ni93  1  0.004270  0.319768  0.605619  1
  Ni  Ni94  1  0.252543  0.720006  0.655567  1
  Ni  Ni95  1  0.253288  0.119733  0.622414  1
  Ni  Ni96  1  0.749645  0.418890  0.639044  1
  Ni  Ni97  1  0.258895  0.418890  0.639044  1
  Ni  Ni98  1  0.504270  0.920635  0.639015  1
  Ni  Ni99  1  0.755253  0.119733  0.622414  1
  Ni  Ni100  1  0.755998  0.720006  0.655567  1
  Ni  Ni101  1  0.247605  0.820147  0.605606  1
  Ni  Ni102  1  0.760936  0.820147  0.605606  1
  Ni  Ni103  1  0.004270  0.519493  0.672115  1
  Ni  Ni104  1  0.267495  0.914915  0.719611  1
  Ni  Ni105  1  0.251322  0.318961  0.689187  1
  Ni  Ni106  1  0.734804  0.619872  0.704438  1
  Ni  Ni107  1  0.273736  0.619872  0.704438  1
  Ni  Ni108  1  0.504270  0.117763  0.704274  1
  Ni  Ni109  1  0.757219  0.318961  0.689187  1
  Ni  Ni110  1  0.741046  0.914915  0.719611  1
  Ni  Ni111  1  0.241362  0.021709  0.672612  1
  Ni  Ni112  1  0.767179  0.021709  0.672612  1
