# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55560433
_cell_length_b   7.26042189
_cell_length_c   48.62030036
_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   2667.15774366
_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  0.498838  0.061382  0.271741  1
  Al  Al2  1  0.770957  0.220928  0.307528  1
  Al  Al3  1  0.226718  0.220928  0.307528  1
  Al  Al4  1  0.998838  0.723536  0.305266  1
  Al  Al5  1  0.283334  0.582245  0.274057  1
  Al  Al6  1  0.714341  0.582245  0.274057  1
  Al  Al7  1  0.498838  0.355922  0.341431  1
  Al  Al8  1  0.772467  0.491729  0.374069  1
  Al  Al9  1  0.225208  0.491729  0.374069  1
  Al  Al10  1  0.998838  0.989613  0.374615  1
  Al  Al11  1  0.272267  0.855366  0.341556  1
  Al  Al12  1  0.725408  0.855366  0.341556  1
  Al  Al13  1  0.498838  0.626473  0.407776  1
  Al  Al14  1  0.771375  0.762748  0.441069  1
  Al  Al15  1  0.226300  0.762748  0.441069  1
  Al  Al16  1  0.998838  0.262826  0.440956  1
  Al  Al17  1  0.271343  0.127086  0.407605  1
  Al  Al18  1  0.726333  0.127086  0.407605  1
  Al  Al19  1  0.498838  0.898427  0.474388  1
  Al  Al20  1  0.771344  0.034268  0.507685  1
  Al  Al21  1  0.226332  0.034268  0.507685  1
  Al  Al22  1  0.998838  0.534280  0.507686  1
  Al  Al23  1  0.271252  0.398612  0.474279  1
  Al  Al24  1  0.726423  0.398612  0.474279  1
  Al  Al25  1  0.498838  0.170192  0.540977  1
  Al  Al26  1  0.771485  0.305731  0.574324  1
  Al  Al27  1  0.226190  0.305731  0.574324  1
  Al  Al28  1  0.998838  0.805830  0.574384  1
  Al  Al29  1  0.271282  0.669914  0.541112  1
  Al  Al30  1  0.726394  0.669914  0.541112  1
  Al  Al31  1  0.498838  0.442117  0.607547  1
  Al  Al32  1  0.772388  0.576807  0.641410  1
  Al  Al33  1  0.225287  0.576807  0.641410  1
  Al  Al34  1  0.998838  0.077945  0.640983  1
  Al  Al35  1  0.271585  0.941588  0.607709  1
  Al  Al36  1  0.726090  0.941588  0.607709  1
  Al  Al37  1  0.498838  0.710604  0.674263  1
  Al  Al38  1  0.769400  0.849888  0.707020  1
  Al  Al39  1  0.228276  0.849888  0.707020  1
  Al  Al40  1  0.998838  0.351116  0.709802  1
  Al  Al41  1  0.271263  0.212144  0.673723  1
  Al  Al42  1  0.726412  0.212144  0.673723  1
  Ni  Ni43  1  0.498838  0.718958  0.308361  1
  Ni  Ni44  1  0.246713  0.538810  0.324065  1
  Ni  Ni45  1  0.750963  0.538810  0.324065  1
  Ni  Ni46  1  0.498838  0.375252  0.293365  1
  Ni  Ni47  1  0.498838  0.054777  0.322255  1
  Ni  Ni48  1  0.998838  0.084099  0.275802  1
  Ni  Ni49  1  0.747522  0.900546  0.292204  1
  Ni  Ni50  1  0.250153  0.900546  0.292204  1
  Ni  Ni51  1  0.998838  0.019528  0.326404  1
  Ni  Ni52  1  0.998838  0.418476  0.288857  1
  Ni  Ni53  1  0.498838  0.992538  0.374238  1
  Ni  Ni54  1  0.249425  0.808561  0.391154  1
  Ni  Ni55  1  0.748251  0.808561  0.391154  1
  Ni  Ni56  1  0.498838  0.656778  0.359346  1
  Ni  Ni57  1  0.498838  0.325405  0.389582  1
  Ni  Ni58  1  0.998838  0.354845  0.340873  1
  Ni  Ni59  1  0.749394  0.173266  0.357550  1
  Ni  Ni60  1  0.248282  0.173266  0.357550  1
  Ni  Ni61  1  0.998838  0.293006  0.392386  1
  Ni  Ni62  1  0.998838  0.690046  0.355183  1
  Ni  Ni63  1  0.498838  0.263323  0.440935  1
  Ni  Ni64  1  0.248939  0.080727  0.457663  1
  Ni  Ni65  1  0.748737  0.080727  0.457663  1
  Ni  Ni66  1  0.498838  0.929210  0.425810  1
  Ni  Ni67  1  0.498838  0.596508  0.456254  1
  Ni  Ni68  1  0.998838  0.627736  0.407363  1
  Ni  Ni69  1  0.749353  0.445354  0.424200  1
  Ni  Ni70  1  0.248323  0.445354  0.424200  1
  Ni  Ni71  1  0.998838  0.564890  0.459066  1
  Ni  Ni72  1  0.998838  0.960556  0.422984  1
  Ni  Ni73  1  0.498838  0.534227  0.507695  1
  Ni  Ni74  1  0.248767  0.352295  0.524313  1
  Ni  Ni75  1  0.748909  0.352295  0.524313  1
  Ni  Ni76  1  0.498838  0.200724  0.492430  1
  Ni  Ni77  1  0.498838  0.867798  0.522952  1
  Ni  Ni78  1  0.998838  0.898422  0.474391  1
  Ni  Ni79  1  0.748837  0.716209  0.491075  1
  Ni  Ni80  1  0.248839  0.716209  0.491075  1
  Ni  Ni81  1  0.998838  0.836245  0.525853  1
  Ni  Ni82  1  0.998838  0.232281  0.489518  1
  Ni  Ni83  1  0.498838  0.805058  0.574487  1
  Ni  Ni84  1  0.248290  0.623198  0.591202  1
  Ni  Ni85  1  0.749385  0.623198  0.591202  1
  Ni  Ni86  1  0.498838  0.471990  0.559121  1
  Ni  Ni87  1  0.498838  0.139516  0.589544  1
  Ni  Ni88  1  0.998838  0.170019  0.541008  1
  Ni  Ni89  1  0.748655  0.987848  0.557697  1
  Ni  Ni90  1  0.249021  0.987848  0.557697  1
  Ni  Ni91  1  0.998838  0.107880  0.592476  1
  Ni  Ni92  1  0.998838  0.503681  0.556303  1
  Ni  Ni93  1  0.498838  0.076674  0.641153  1
  Ni  Ni94  1  0.249277  0.895292  0.657479  1
  Ni  Ni95  1  0.748398  0.895292  0.657479  1
  Ni  Ni96  1  0.498838  0.742884  0.625947  1
  Ni  Ni97  1  0.498838  0.411468  0.655737  1
  Ni  Ni98  1  0.998838  0.441014  0.607988  1
  Ni  Ni99  1  0.748613  0.259832  0.624256  1
  Ni  Ni100  1  0.249063  0.259832  0.624256  1
  Ni  Ni101  1  0.998838  0.378277  0.660043  1
  Ni  Ni102  1  0.998838  0.775486  0.622902  1
  Ni  Ni103  1  0.498838  0.349347  0.706140  1
  Ni  Ni104  1  0.252037  0.165925  0.723289  1
  Ni  Ni105  1  0.745638  0.165925  0.723289  1
  Ni  Ni106  1  0.498838  0.012780  0.693584  1
  Ni  Ni107  1  0.498838  0.676001  0.722629  1
  Ni  Ni108  1  0.998838  0.713959  0.674184  1
  Ni  Ni109  1  0.750964  0.528073  0.691838  1
  Ni  Ni110  1  0.246712  0.528073  0.691838  1
  Ni  Ni111  1  0.998838  0.657512  0.725055  1
  Ni  Ni112  1  0.998838  0.049164  0.689577  1
