# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09433717
_cell_length_b   7.88911308
_cell_length_c   47.51781835
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   52.10528963
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al42 Ni70'
_cell_volume   2986.18682582
_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  0.676083  0.728496  0.311417  1
  Al  Al2  1  0.984768  0.381461  0.297708  1
  Al  Al3  1  0.369761  0.070106  0.330278  1
  Al  Al4  1  0.173442  0.731548  0.312303  1
  Al  Al5  1  0.473072  0.398425  0.297925  1
  Al  Al6  1  0.872180  0.070509  0.332418  1
  Al  Al7  1  0.509824  0.070053  0.377964  1
  Al  Al8  1  0.813546  0.725618  0.362869  1
  Al  Al9  1  0.208070  0.415257  0.392345  1
  Al  Al10  1  0.011079  0.070169  0.378147  1
  Al  Al11  1  0.313773  0.725455  0.363023  1
  Al  Al12  1  0.707671  0.416007  0.392163  1
  Al  Al13  1  0.346789  0.412774  0.440396  1
  Al  Al14  1  0.649680  0.067244  0.425866  1
  Al  Al15  1  0.043842  0.757713  0.455169  1
  Al  Al16  1  0.846724  0.412908  0.440335  1
  Al  Al17  1  0.149971  0.067349  0.425737  1
  Al  Al18  1  0.543839  0.757724  0.455129  1
  Al  Al19  1  0.182799  0.755451  0.503073  1
  Al  Al20  1  0.485900  0.410340  0.488300  1
  Al  Al21  1  0.879607  0.100645  0.517817  1
  Al  Al22  1  0.682715  0.755342  0.503080  1
  Al  Al23  1  0.985858  0.410213  0.488323  1
  Al  Al24  1  0.379567  0.100559  0.517843  1
  Al  Al25  1  0.018781  0.097902  0.565789  1
  Al  Al26  1  0.321797  0.752924  0.551062  1
  Al  Al27  1  0.714923  0.443773  0.580494  1
  Al  Al28  1  0.518677  0.098274  0.565706  1
  Al  Al29  1  0.821624  0.753140  0.550927  1
  Al  Al30  1  0.215547  0.443844  0.580325  1
  Al  Al31  1  0.854002  0.441100  0.627669  1
  Al  Al32  1  0.158087  0.094119  0.613934  1
  Al  Al33  1  0.552440  0.786287  0.642987  1
  Al  Al34  1  0.355970  0.441139  0.628372  1
  Al  Al35  1  0.657439  0.095280  0.613773  1
  Al  Al36  1  0.052523  0.784955  0.642947  1
  Al  Al37  1  0.709029  0.748731  0.699019  1
  Al  Al38  1  0.989017  0.438639  0.673908  1
  Al  Al39  1  0.392771  0.128126  0.707366  1
  Al  Al40  1  0.199119  0.767699  0.697310  1
  Al  Al41  1  0.494444  0.438829  0.678306  1
  Al  Al42  1  0.883636  0.138535  0.707183  1
  Ni  Ni43  1  0.754028  0.059835  0.288298  1
  Ni  Ni44  1  0.991980  0.069395  0.287498  1
  Ni  Ni45  1  0.425047  0.731258  0.315961  1
  Ni  Ni46  1  0.628864  0.064223  0.332202  1
  Ni  Ni47  1  0.718946  0.392852  0.301513  1
  Ni  Ni48  1  0.091866  0.398409  0.346706  1
  Ni  Ni49  1  0.501149  0.074302  0.287388  1
  Ni  Ni50  1  0.925815  0.729272  0.315682  1
  Ni  Ni51  1  0.129594  0.063301  0.331367  1
  Ni  Ni52  1  0.220060  0.396631  0.301796  1
  Ni  Ni53  1  0.591122  0.398999  0.346390  1
  Ni  Ni54  1  0.843678  0.401317  0.345749  1
  Ni  Ni55  1  0.261288  0.068878  0.377974  1
  Ni  Ni56  1  0.468432  0.402010  0.393787  1
  Ni  Ni57  1  0.556854  0.736306  0.360754  1
  Ni  Ni58  1  0.929611  0.740734  0.409072  1
  Ni  Ni59  1  0.344476  0.400106  0.345979  1
  Ni  Ni60  1  0.760124  0.069256  0.378480  1
  Ni  Ni61  1  0.968398  0.402347  0.393754  1
  Ni  Ni62  1  0.057061  0.735011  0.361091  1
  Ni  Ni63  1  0.429624  0.741110  0.408969  1
  Ni  Ni64  1  0.678918  0.741417  0.408973  1
  Ni  Ni65  1  0.096916  0.412559  0.440369  1
  Ni  Ni66  1  0.304822  0.744294  0.456456  1
  Ni  Ni67  1  0.388735  0.081166  0.424475  1
  Ni  Ni68  1  0.764752  0.084075  0.471785  1
  Ni  Ni69  1  0.179001  0.741138  0.409083  1
  Ni  Ni70  1  0.596914  0.412687  0.440304  1
  Ni  Ni71  1  0.804797  0.744139  0.456484  1
  Ni  Ni72  1  0.888704  0.081271  0.424530  1
  Ni  Ni73  1  0.264746  0.083964  0.471783  1
  Ni  Ni74  1  0.514636  0.084068  0.471820  1
  Ni  Ni75  1  0.932768  0.755433  0.503062  1
  Ni  Ni76  1  0.140505  0.087153  0.519193  1
  Ni  Ni77  1  0.224984  0.423640  0.486982  1
  Ni  Ni78  1  0.600683  0.426902  0.534382  1
  Ni  Ni79  1  0.014777  0.084128  0.471778  1
  Ni  Ni80  1  0.432734  0.755429  0.503085  1
  Ni  Ni81  1  0.640500  0.087244  0.519136  1
  Ni  Ni82  1  0.724981  0.423663  0.486958  1
  Ni  Ni83  1  0.100760  0.426776  0.534341  1
  Ni  Ni84  1  0.350806  0.426850  0.534350  1
  Ni  Ni85  1  0.768434  0.098434  0.565727  1
  Ni  Ni86  1  0.977050  0.429355  0.581545  1
  Ni  Ni87  1  0.060726  0.766720  0.549660  1
  Ni  Ni88  1  0.435991  0.769455  0.597266  1
  Ni  Ni89  1  0.850588  0.426706  0.534392  1
  Ni  Ni90  1  0.268681  0.098050  0.565821  1
  Ni  Ni91  1  0.476773  0.429477  0.581799  1
  Ni  Ni92  1  0.560668  0.766588  0.549709  1
  Ni  Ni93  1  0.935641  0.770194  0.596973  1
  Ni  Ni94  1  0.187031  0.769220  0.597214  1
  Ni  Ni95  1  0.602047  0.443198  0.628776  1
  Ni  Ni96  1  0.807277  0.776489  0.645729  1
  Ni  Ni97  1  0.896505  0.109262  0.612226  1
  Ni  Ni98  1  0.274081  0.114437  0.659062  1
  Ni  Ni99  1  0.686590  0.770132  0.597032  1
  Ni  Ni100  1  0.104015  0.442974  0.627903  1
  Ni  Ni101  1  0.310022  0.772837  0.646001  1
  Ni  Ni102  1  0.396632  0.109975  0.612204  1
  Ni  Ni103  1  0.773641  0.114090  0.658792  1
  Ni  Ni104  1  0.025114  0.103258  0.660074  1
  Ni  Ni105  1  0.438971  0.792528  0.689270  1
  Ni  Ni106  1  0.659474  0.093615  0.702920  1
  Ni  Ni107  1  0.733301  0.450178  0.673921  1
  Ni  Ni108  1  0.102300  0.453922  0.716771  1
  Ni  Ni109  1  0.523542  0.106570  0.659964  1
  Ni  Ni110  1  0.942179  0.784941  0.689452  1
  Ni  Ni111  1  0.150903  0.114736  0.703389  1
  Ni  Ni112  1  0.235620  0.448490  0.673934  1
