# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08351716
_cell_length_b   10.06609337
_cell_length_c   46.04828840
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.31999193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al60 Ni100'
_cell_volume   4100.54314929
_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  0.449431  0.193376  0.288625  1
  Al  Al2  1  0.288389  0.532949  0.339757  1
  Al  Al3  1  0.711586  0.937083  0.291610  1
  Al  Al4  1  0.548644  0.277988  0.340611  1
  Al  Al5  1  0.029495  0.787641  0.339032  1
  Al  Al6  1  0.186152  0.454080  0.288307  1
  Al  Al7  1  0.949431  0.193376  0.288625  1
  Al  Al8  1  0.788389  0.532949  0.339757  1
  Al  Al9  1  0.211586  0.937083  0.291610  1
  Al  Al10  1  0.048644  0.277988  0.340611  1
  Al  Al11  1  0.529495  0.787641  0.339032  1
  Al  Al12  1  0.686152  0.454080  0.288307  1
  Al  Al13  1  0.127317  0.872364  0.384125  1
  Al  Al14  1  0.966202  0.208224  0.429578  1
  Al  Al15  1  0.387784  0.616839  0.385579  1
  Al  Al16  1  0.225302  0.954128  0.431081  1
  Al  Al17  1  0.706809  0.462711  0.428463  1
  Al  Al18  1  0.868467  0.126417  0.382000  1
  Al  Al19  1  0.627317  0.872364  0.384125  1
  Al  Al20  1  0.466202  0.208224  0.429578  1
  Al  Al21  1  0.887784  0.616839  0.385579  1
  Al  Al22  1  0.725302  0.954128  0.431081  1
  Al  Al23  1  0.206809  0.462711  0.428463  1
  Al  Al24  1  0.368467  0.126417  0.382000  1
  Al  Al25  1  0.804792  0.545897  0.475091  1
  Al  Al26  1  0.642789  0.883452  0.520602  1
  Al  Al27  1  0.064387  0.291321  0.476378  1
  Al  Al28  1  0.902570  0.628631  0.521890  1
  Al  Al29  1  0.383194  0.138028  0.519315  1
  Al  Al30  1  0.545011  0.800718  0.473803  1
  Al  Al31  1  0.304792  0.545897  0.475091  1
  Al  Al32  1  0.142789  0.883452  0.520602  1
  Al  Al33  1  0.564387  0.291321  0.476378  1
  Al  Al34  1  0.402570  0.628631  0.521890  1
  Al  Al35  1  0.883194  0.138028  0.519315  1
  Al  Al36  1  0.045011  0.800718  0.473803  1
  Al  Al37  1  0.481379  0.221125  0.566116  1
  Al  Al38  1  0.320264  0.556985  0.611568  1
  Al  Al39  1  0.740772  0.966638  0.567230  1
  Al  Al40  1  0.579113  0.302931  0.613694  1
  Al  Al41  1  0.059796  0.812510  0.610114  1
  Al  Al42  1  0.222279  0.475221  0.564612  1
  Al  Al43  1  0.981379  0.221125  0.566116  1
  Al  Al44  1  0.820264  0.556985  0.611568  1
  Al  Al45  1  0.240772  0.966638  0.567230  1
  Al  Al46  1  0.079113  0.302931  0.613694  1
  Al  Al47  1  0.559796  0.812510  0.610114  1
  Al  Al48  1  0.722279  0.475221  0.564612  1
  Al  Al49  1  0.159192  0.896400  0.655936  1
  Al  Al50  1  0.998150  0.235973  0.707068  1
  Al  Al51  1  0.418086  0.641708  0.656662  1
  Al  Al52  1  0.261429  0.975269  0.707387  1
  Al  Al53  1  0.735995  0.492266  0.704084  1
  Al  Al54  1  0.898937  0.151361  0.655082  1
  Al  Al55  1  0.659192  0.896400  0.655936  1
  Al  Al56  1  0.498150  0.235973  0.707068  1
  Al  Al57  1  0.918086  0.641708  0.656662  1
  Al  Al58  1  0.761429  0.975269  0.707387  1
  Al  Al59  1  0.235995  0.492266  0.704084  1
  Al  Al60  1  0.398937  0.151361  0.655082  1
  Ni  Ni61  1  0.288378  0.031622  0.338745  1
  Ni  Ni62  1  0.448806  0.695925  0.295667  1
  Ni  Ni63  1  0.539919  0.034787  0.337240  1
  Ni  Ni64  1  0.700408  0.694931  0.295767  1
  Ni  Ni65  1  0.200138  0.194656  0.295662  1
  Ni  Ni66  1  0.041644  0.531417  0.338538  1
  Ni  Ni67  1  0.285455  0.783867  0.339193  1
  Ni  Ni68  1  0.446270  0.445024  0.296376  1
  Ni  Ni69  1  0.454336  0.944129  0.295026  1
  Ni  Ni70  1  0.293855  0.285203  0.336355  1
  Ni  Ni71  1  0.788378  0.031622  0.338745  1
  Ni  Ni72  1  0.948806  0.695925  0.295667  1
  Ni  Ni73  1  0.039919  0.034787  0.337240  1
  Ni  Ni74  1  0.200408  0.694931  0.295767  1
  Ni  Ni75  1  0.700138  0.194656  0.295662  1
  Ni  Ni76  1  0.541644  0.531417  0.338538  1
  Ni  Ni77  1  0.785455  0.783867  0.339193  1
  Ni  Ni78  1  0.946270  0.445024  0.296376  1
  Ni  Ni79  1  0.954336  0.944129  0.295026  1
  Ni  Ni80  1  0.793855  0.285203  0.336355  1
  Ni  Ni81  1  0.965966  0.708548  0.429880  1
  Ni  Ni82  1  0.128997  0.371185  0.383978  1
  Ni  Ni83  1  0.216093  0.708803  0.429695  1
  Ni  Ni84  1  0.378050  0.370710  0.384345  1
  Ni  Ni85  1  0.876786  0.871905  0.384613  1
  Ni  Ni86  1  0.716581  0.208183  0.429412  1
  Ni  Ni87  1  0.964325  0.456626  0.430142  1
  Ni  Ni88  1  0.125977  0.119080  0.384721  1
  Ni  Ni89  1  0.129703  0.623034  0.384206  1
  Ni  Ni90  1  0.967973  0.960541  0.429049  1
  Ni  Ni91  1  0.465966  0.708548  0.429880  1
  Ni  Ni92  1  0.628997  0.371185  0.383978  1
  Ni  Ni93  1  0.716093  0.708803  0.429695  1
  Ni  Ni94  1  0.878050  0.370710  0.384345  1
  Ni  Ni95  1  0.376786  0.871905  0.384613  1
  Ni  Ni96  1  0.216581  0.208183  0.429412  1
  Ni  Ni97  1  0.464325  0.456626  0.430142  1
  Ni  Ni98  1  0.625977  0.119080  0.384721  1
  Ni  Ni99  1  0.629703  0.623034  0.384206  1
  Ni  Ni100  1  0.467973  0.960541  0.429049  1
  Ni  Ni101  1  0.643044  0.383225  0.520622  1
  Ni  Ni102  1  0.804537  0.046124  0.475071  1
  Ni  Ni103  1  0.893164  0.383243  0.520538  1
  Ni  Ni104  1  0.054417  0.046106  0.475155  1
  Ni  Ni105  1  0.554728  0.545865  0.475178  1
  Ni  Ni106  1  0.392852  0.883484  0.520515  1
  Ni  Ni107  1  0.640641  0.131929  0.521123  1
  Ni  Ni108  1  0.802356  0.794393  0.475725  1
  Ni  Ni109  1  0.806940  0.297419  0.474571  1
  Ni  Ni110  1  0.645225  0.634956  0.519968  1
  Ni  Ni111  1  0.143044  0.383225  0.520622  1
  Ni  Ni112  1  0.304537  0.046124  0.475071  1
  Ni  Ni113  1  0.393164  0.383243  0.520538  1
  Ni  Ni114  1  0.554417  0.046106  0.475155  1
  Ni  Ni115  1  0.054728  0.545865  0.475178  1
  Ni  Ni116  1  0.892852  0.883484  0.520515  1
  Ni  Ni117  1  0.140641  0.131929  0.521123  1
  Ni  Ni118  1  0.302356  0.794393  0.475725  1
  Ni  Ni119  1  0.306940  0.297419  0.474571  1
  Ni  Ni120  1  0.145225  0.634956  0.519968  1
  Ni  Ni121  1  0.318583  0.058164  0.611715  1
  Ni  Ni122  1  0.481615  0.720801  0.565813  1
  Ni  Ni123  1  0.569531  0.058639  0.611348  1
  Ni  Ni124  1  0.731488  0.720546  0.565999  1
  Ni  Ni125  1  0.231000  0.221166  0.566281  1
  Ni  Ni126  1  0.070795  0.557444  0.611080  1
  Ni  Ni127  1  0.317878  0.806314  0.611487  1
  Ni  Ni128  1  0.479608  0.468808  0.566645  1
  Ni  Ni129  1  0.483256  0.972723  0.565551  1
  Ni  Ni130  1  0.321604  0.310269  0.610973  1
  Ni  Ni131  1  0.818583  0.058164  0.611715  1
  Ni  Ni132  1  0.981615  0.720801  0.565813  1
  Ni  Ni133  1  0.069531  0.058639  0.611348  1
  Ni  Ni134  1  0.231488  0.720546  0.565999  1
  Ni  Ni135  1  0.731000  0.221166  0.566281  1
  Ni  Ni136  1  0.570795  0.557444  0.611080  1
  Ni  Ni137  1  0.817878  0.806314  0.611487  1
  Ni  Ni138  1  0.979608  0.468808  0.566645  1
  Ni  Ni139  1  0.983256  0.972723  0.565551  1
  Ni  Ni140  1  0.821604  0.310269  0.610973  1
  Ni  Ni141  1  0.998774  0.733424  0.700026  1
  Ni  Ni142  1  0.159203  0.397727  0.656948  1
  Ni  Ni143  1  0.247172  0.734417  0.699926  1
  Ni  Ni144  1  0.407662  0.394561  0.658453  1
  Ni  Ni145  1  0.905937  0.897932  0.657156  1
  Ni  Ni146  1  0.747443  0.234693  0.700031  1
  Ni  Ni147  1  0.993245  0.485220  0.700667  1
  Ni  Ni148  1  0.153726  0.144145  0.659338  1
  Ni  Ni149  1  0.162126  0.645481  0.656500  1
  Ni  Ni150  1  1.001311  0.984325  0.699317  1
  Ni  Ni151  1  0.498774  0.733424  0.700026  1
  Ni  Ni152  1  0.659203  0.397727  0.656948  1
  Ni  Ni153  1  0.747172  0.734417  0.699926  1
  Ni  Ni154  1  0.907662  0.394561  0.658453  1
  Ni  Ni155  1  0.405937  0.897932  0.657156  1
  Ni  Ni156  1  0.247443  0.234693  0.700031  1
  Ni  Ni157  1  0.493245  0.485220  0.700667  1
  Ni  Ni158  1  0.653726  0.144145  0.659338  1
  Ni  Ni159  1  0.662126  0.645481  0.656500  1
  Ni  Ni160  1  0.501311  0.984325  0.699317  1
