# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77150866
_cell_length_b   9.77580558
_cell_length_c   48.84701960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.87408919
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al60 Ni100'
_cell_volume   4258.49588428
_cell_formula_units_Z   20
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  0.304998  0.804240  0.343846  1
  Al  Al2  1  0.423612  0.398365  0.301636  1
  Al  Al3  1  0.721757  0.182015  0.303467  1
  Al  Al4  1  0.561452  0.552327  0.346418  1
  Al  Al5  1  0.027409  0.071573  0.339049  1
  Al  Al6  1  0.889798  0.420062  0.382419  1
  Al  Al7  1  0.804998  0.804240  0.343846  1
  Al  Al8  1  0.923612  0.398365  0.301636  1
  Al  Al9  1  0.221757  0.182015  0.303467  1
  Al  Al10  1  0.061452  0.552327  0.346418  1
  Al  Al11  1  0.527409  0.071573  0.339049  1
  Al  Al12  1  0.389798  0.420062  0.382419  1
  Al  Al13  1  0.012072  0.518625  0.426606  1
  Al  Al14  1  0.154247  0.162200  0.385107  1
  Al  Al15  1  0.422037  0.905432  0.386404  1
  Al  Al16  1  0.276966  0.262944  0.428240  1
  Al  Al17  1  0.743392  0.777242  0.424467  1
  Al  Al18  1  0.599625  0.131394  0.466155  1
  Al  Al19  1  0.512072  0.518625  0.426606  1
  Al  Al20  1  0.654247  0.162200  0.385107  1
  Al  Al21  1  0.922037  0.905432  0.386404  1
  Al  Al22  1  0.776966  0.262944  0.428240  1
  Al  Al23  1  0.243392  0.777242  0.424467  1
  Al  Al24  1  0.099625  0.131394  0.466155  1
  Al  Al25  1  0.720514  0.230544  0.509834  1
  Al  Al26  1  0.865348  0.875076  0.468100  1
  Al  Al27  1  0.131889  0.618471  0.469847  1
  Al  Al28  1  0.986422  0.974382  0.511638  1
  Al  Al29  1  0.453954  0.487639  0.508023  1
  Al  Al30  1  0.310191  0.842215  0.549606  1
  Al  Al31  1  0.220514  0.230544  0.509834  1
  Al  Al32  1  0.365348  0.875076  0.468100  1
  Al  Al33  1  0.631889  0.618471  0.469847  1
  Al  Al34  1  0.486422  0.974382  0.511638  1
  Al  Al35  1  0.953954  0.487639  0.508023  1
  Al  Al36  1  0.810191  0.842215  0.549606  1
  Al  Al37  1  0.432681  0.941057  0.593047  1
  Al  Al38  1  0.574149  0.587172  0.551496  1
  Al  Al39  1  0.841023  0.329664  0.553301  1
  Al  Al40  1  0.695536  0.685980  0.595742  1
  Al  Al41  1  0.163344  0.199362  0.591199  1
  Al  Al42  1  0.018485  0.556086  0.633025  1
  Al  Al43  1  0.932681  0.941057  0.593047  1
  Al  Al44  1  0.074149  0.587172  0.551496  1
  Al  Al45  1  0.341023  0.329664  0.553301  1
  Al  Al46  1  0.195536  0.685980  0.595742  1
  Al  Al47  1  0.663344  0.199362  0.591199  1
  Al  Al48  1  0.518485  0.556086  0.633025  1
  Al  Al49  1  0.151627  0.657392  0.677248  1
  Al  Al50  1  0.284667  0.299730  0.633804  1
  Al  Al51  1  0.554343  0.038543  0.636417  1
  Al  Al52  1  0.411314  0.397158  0.681142  1
  Al  Al53  1  0.867742  0.920306  0.673655  1
  Al  Al54  1  0.730451  0.263631  0.713767  1
  Al  Al55  1  0.651627  0.657392  0.677248  1
  Al  Al56  1  0.784667  0.299730  0.633804  1
  Al  Al57  1  0.054343  0.038543  0.636417  1
  Al  Al58  1  0.911314  0.397158  0.681142  1
  Al  Al59  1  0.367742  0.920306  0.673655  1
  Al  Al60  1  0.230451  0.263631  0.713767  1
  Ni  Ni61  1  0.432282  0.931808  0.302142  1
  Ni  Ni62  1  0.303941  0.309190  0.342302  1
  Ni  Ni63  1  0.184706  0.926538  0.302531  1
  Ni  Ni64  1  0.056915  0.307217  0.343564  1
  Ni  Ni65  1  0.556752  0.805274  0.342101  1
  Ni  Ni66  1  0.659065  0.452691  0.302839  1
  Ni  Ni67  1  0.292184  0.049783  0.345555  1
  Ni  Ni68  1  0.421388  0.675313  0.303515  1
  Ni  Ni69  1  0.160054  0.920838  0.382306  1
  Ni  Ni70  1  0.303035  0.562611  0.340019  1
  Ni  Ni71  1  0.932282  0.931808  0.302142  1
  Ni  Ni72  1  0.803941  0.309190  0.342302  1
  Ni  Ni73  1  0.684706  0.926538  0.302531  1
  Ni  Ni74  1  0.556915  0.307217  0.343564  1
  Ni  Ni75  1  0.056752  0.805274  0.342101  1
  Ni  Ni76  1  0.159065  0.452691  0.302839  1
  Ni  Ni77  1  0.792184  0.049783  0.345555  1
  Ni  Ni78  1  0.921388  0.675313  0.303515  1
  Ni  Ni79  1  0.660054  0.920838  0.382306  1
  Ni  Ni80  1  0.803035  0.562611  0.340019  1
  Ni  Ni81  1  0.154884  0.664315  0.384382  1
  Ni  Ni82  1  0.010855  0.019948  0.426056  1
  Ni  Ni83  1  0.904038  0.662137  0.385603  1
  Ni  Ni84  1  0.761224  0.019040  0.426419  1
  Ni  Ni85  1  0.261813  0.520258  0.426041  1
  Ni  Ni86  1  0.404865  0.163138  0.384210  1
  Ni  Ni87  1  0.004094  0.763481  0.428150  1
  Ni  Ni88  1  0.150985  0.405451  0.386682  1
  Ni  Ni89  1  0.871907  0.631215  0.466309  1
  Ni  Ni90  1  0.016584  0.275851  0.424618  1
  Ni  Ni91  1  0.654884  0.664315  0.384382  1
  Ni  Ni92  1  0.510855  0.019948  0.426056  1
  Ni  Ni93  1  0.404038  0.662137  0.385603  1
  Ni  Ni94  1  0.261224  0.019040  0.426419  1
  Ni  Ni95  1  0.761813  0.520258  0.426041  1
  Ni  Ni96  1  0.904865  0.163138  0.384210  1
  Ni  Ni97  1  0.504094  0.763481  0.428150  1
  Ni  Ni98  1  0.650985  0.405451  0.386682  1
  Ni  Ni99  1  0.371907  0.631215  0.466309  1
  Ni  Ni100  1  0.516584  0.275851  0.424618  1
  Ni  Ni101  1  0.865146  0.375543  0.467991  1
  Ni  Ni102  1  0.720941  0.730548  0.509822  1
  Ni  Ni103  1  0.615384  0.374656  0.468257  1
  Ni  Ni104  1  0.470948  0.730914  0.509682  1
  Ni  Ni105  1  0.970446  0.230984  0.509704  1
  Ni  Ni106  1  0.115213  0.875268  0.468043  1
  Ni  Ni107  1  0.713798  0.474894  0.511571  1
  Ni  Ni108  1  0.859364  0.119091  0.469795  1
  Ni  Ni109  1  0.580916  0.342787  0.549733  1
  Ni  Ni110  1  0.726770  0.986599  0.508027  1
  Ni  Ni111  1  0.365146  0.375543  0.467991  1
  Ni  Ni112  1  0.220941  0.730548  0.509822  1
  Ni  Ni113  1  0.115384  0.374656  0.468257  1
  Ni  Ni114  1  0.970948  0.730914  0.509682  1
  Ni  Ni115  1  0.470446  0.230984  0.509704  1
  Ni  Ni116  1  0.615213  0.875268  0.468043  1
  Ni  Ni117  1  0.213798  0.474894  0.511571  1
  Ni  Ni118  1  0.359364  0.119091  0.469795  1
  Ni  Ni119  1  0.080916  0.342787  0.549733  1
  Ni  Ni120  1  0.226770  0.986599  0.508027  1
  Ni  Ni121  1  0.575424  0.086044  0.551439  1
  Ni  Ni122  1  0.429529  0.441614  0.593563  1
  Ni  Ni123  1  0.325290  0.085979  0.551486  1
  Ni  Ni124  1  0.179161  0.443807  0.592848  1
  Ni  Ni125  1  0.682589  0.941137  0.593159  1
  Ni  Ni126  1  0.824236  0.586123  0.551857  1
  Ni  Ni127  1  0.424510  0.185188  0.594740  1
  Ni  Ni128  1  0.570020  0.829940  0.553246  1
  Ni  Ni129  1  0.292108  0.055679  0.632044  1
  Ni  Ni130  1  0.435504  0.698498  0.591730  1
  Ni  Ni131  1  0.075424  0.086044  0.551439  1
  Ni  Ni132  1  0.929529  0.441614  0.593563  1
  Ni  Ni133  1  0.825290  0.085979  0.551486  1
  Ni  Ni134  1  0.679161  0.443807  0.592848  1
  Ni  Ni135  1  0.182589  0.941137  0.593159  1
  Ni  Ni136  1  0.324236  0.586123  0.551857  1
  Ni  Ni137  1  0.924510  0.185188  0.594740  1
  Ni  Ni138  1  0.070020  0.829940  0.553246  1
  Ni  Ni139  1  0.792108  0.055679  0.632044  1
  Ni  Ni140  1  0.935504  0.698498  0.591730  1
  Ni  Ni141  1  0.282497  0.796715  0.636026  1
  Ni  Ni142  1  0.144325  0.154271  0.675938  1
  Ni  Ni143  1  0.032951  0.797546  0.635568  1
  Ni  Ni144  1  0.894649  0.157321  0.674604  1
  Ni  Ni145  1  0.399268  0.657372  0.678004  1
  Ni  Ni146  1  0.533217  0.298517  0.635322  1
  Ni  Ni147  1  0.126867  0.906176  0.680393  1
  Ni  Ni148  1  0.280546  0.540613  0.637374  1
  Ni  Ni149  1  0.991837  0.791739  0.714250  1
  Ni  Ni150  1  0.148477  0.414690  0.673183  1
  Ni  Ni151  1  0.782497  0.796715  0.636026  1
  Ni  Ni152  1  0.644325  0.154271  0.675938  1
  Ni  Ni153  1  0.532951  0.797546  0.635568  1
  Ni  Ni154  1  0.394649  0.157321  0.674604  1
  Ni  Ni155  1  0.899268  0.657372  0.678004  1
  Ni  Ni156  1  0.033217  0.298517  0.635322  1
  Ni  Ni157  1  0.626867  0.906176  0.680393  1
  Ni  Ni158  1  0.780546  0.540613  0.637374  1
  Ni  Ni159  1  0.491837  0.791739  0.714250  1
  Ni  Ni160  1  0.648477  0.414690  0.673183  1
