# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42245716
_cell_length_b   13.86329846
_cell_length_c   56.46798027
_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   'Al72 Ni120'
_cell_volume   4244.87549528
_cell_formula_units_Z   24
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  0.078642  0.954674  0.216841  1
  Al  Al2  1  0.078642  0.418787  0.305156  1
  Al  Al3  1  0.078642  0.186515  0.261937  1
  Al  Al4  1  0.078642  0.614038  0.293598  1
  Al  Al5  1  0.078642  0.382469  0.251202  1
  Al  Al6  1  0.078642  0.150708  0.207089  1
  Al  Al7  1  0.078642  0.747895  0.234742  1
  Al  Al8  1  0.078642  0.225223  0.315625  1
  Al  Al9  1  0.078642  0.990875  0.272303  1
  Al  Al10  1  0.578642  0.810518  0.281117  1
  Al  Al11  1  0.578642  0.564095  0.242980  1
  Al  Al12  1  0.578642  0.328949  0.198613  1
  Al  Al13  1  0.578642  0.755278  0.232690  1
  Al  Al14  1  0.578642  0.235911  0.313693  1
  Al  Al15  1  0.578642  0.001879  0.270384  1
  Al  Al16  1  0.578642  0.606107  0.296546  1
  Al  Al17  1  0.578642  0.371508  0.252927  1
  Al  Al18  1  0.578642  0.133980  0.209583  1
  Al  Al19  1  0.078642  0.663802  0.344073  1
  Al  Al20  1  0.078642  0.131249  0.430019  1
  Al  Al21  1  0.078642  0.896733  0.387212  1
  Al  Al22  1  0.078642  0.327651  0.417643  1
  Al  Al23  1  0.078642  0.091406  0.376415  1
  Al  Al24  1  0.078642  0.857506  0.333366  1
  Al  Al25  1  0.078642  0.462471  0.358324  1
  Al  Al26  1  0.078642  0.936488  0.441058  1
  Al  Al27  1  0.078642  0.701910  0.397893  1
  Al  Al28  1  0.578642  0.518885  0.406920  1
  Al  Al29  1  0.578642  0.275342  0.367666  1
  Al  Al30  1  0.578642  0.041881  0.324590  1
  Al  Al31  1  0.578642  0.470959  0.355406  1
  Al  Al32  1  0.578642  0.946868  0.438950  1
  Al  Al33  1  0.578642  0.712596  0.396015  1
  Al  Al34  1  0.578642  0.318943  0.420503  1
  Al  Al35  1  0.578642  0.080938  0.378465  1
  Al  Al36  1  0.578642  0.846782  0.335238  1
  Al  Al37  1  0.078642  0.374016  0.469560  1
  Al  Al38  1  0.078642  0.843795  0.554860  1
  Al  Al39  1  0.078642  0.607627  0.512617  1
  Al  Al40  1  0.078642  0.039099  0.542571  1
  Al  Al41  1  0.078642  0.802522  0.501438  1
  Al  Al42  1  0.078642  0.568117  0.458652  1
  Al  Al43  1  0.078642  0.174809  0.482872  1
  Al  Al44  1  0.078642  0.648000  0.565994  1
  Al  Al45  1  0.078642  0.413125  0.523086  1
  Al  Al46  1  0.578642  0.229756  0.532095  1
  Al  Al47  1  0.578642  0.987503  0.492421  1
  Al  Al48  1  0.578642  0.752258  0.449917  1
  Al  Al49  1  0.578642  0.183662  0.480049  1
  Al  Al50  1  0.578642  0.658303  0.563814  1
  Al  Al51  1  0.578642  0.423797  0.521254  1
  Al  Al52  1  0.578642  0.030237  0.545442  1
  Al  Al53  1  0.578642  0.792214  0.503582  1
  Al  Al54  1  0.578642  0.557495  0.460544  1
  Al  Al55  1  0.078642  0.086352  0.594509  1
  Al  Al56  1  0.078642  0.562848  0.681389  1
  Al  Al57  1  0.078642  0.317855  0.638213  1
  Al  Al58  1  0.078642  0.752209  0.667250  1
  Al  Al59  1  0.078642  0.514219  0.625800  1
  Al  Al60  1  0.078642  0.279495  0.583886  1
  Al  Al61  1  0.078642  0.884694  0.608267  1
  Al  Al62  1  0.078642  0.363342  0.691064  1
  Al  Al63  1  0.078642  0.121689  0.647426  1
  Al  Al64  1  0.578642  0.944302  0.656467  1
  Al  Al65  1  0.578642  0.699560  0.617300  1
  Al  Al66  1  0.578642  0.462738  0.575377  1
  Al  Al67  1  0.578642  0.893728  0.605025  1
  Al  Al68  1  0.578642  0.369517  0.687827  1
  Al  Al69  1  0.578642  0.134328  0.646258  1
  Al  Al70  1  0.578642  0.736448  0.671657  1
  Al  Al71  1  0.578642  0.503418  0.628168  1
  Al  Al72  1  0.578642  0.268477  0.585519  1
  Ni  Ni73  1  0.578642  0.955744  0.216549  1
  Ni  Ni74  1  0.578642  0.419080  0.305563  1
  Ni  Ni75  1  0.578642  0.185711  0.261753  1
  Ni  Ni76  1  0.329760  0.881800  0.248761  1
  Ni  Ni77  1  0.328728  0.633873  0.210316  1
  Ni  Ni78  1  0.328622  0.113381  0.293087  1
  Ni  Ni79  1  0.326607  0.736214  0.312259  1
  Ni  Ni80  1  0.330574  0.492142  0.274296  1
  Ni  Ni81  1  0.328267  0.259529  0.231005  1
  Ni  Ni82  1  0.323661  0.818544  0.201827  1
  Ni  Ni83  1  0.321170  0.303240  0.283254  1
  Ni  Ni84  1  0.318245  0.069560  0.240363  1
  Ni  Ni85  1  0.833622  0.818544  0.201827  1
  Ni  Ni86  1  0.836114  0.303240  0.283254  1
  Ni  Ni87  1  0.839039  0.069560  0.240363  1
  Ni  Ni88  1  0.078642  0.810416  0.280532  1
  Ni  Ni89  1  0.078642  0.566228  0.243133  1
  Ni  Ni90  1  0.078642  0.331359  0.198465  1
  Ni  Ni91  1  0.830677  0.736214  0.312259  1
  Ni  Ni92  1  0.826710  0.492142  0.274296  1
  Ni  Ni93  1  0.829017  0.259529  0.231005  1
  Ni  Ni94  1  0.827524  0.881800  0.248761  1
  Ni  Ni95  1  0.828556  0.633873  0.210316  1
  Ni  Ni96  1  0.828662  0.113381  0.293087  1
  Ni  Ni97  1  0.818170  0.682195  0.264650  1
  Ni  Ni98  1  0.824321  0.450306  0.220189  1
  Ni  Ni99  1  0.820826  0.925143  0.303054  1
  Ni  Ni100  1  0.339113  0.682195  0.264650  1
  Ni  Ni101  1  0.332963  0.450306  0.220189  1
  Ni  Ni102  1  0.336458  0.925143  0.303054  1
  Ni  Ni103  1  0.578642  0.663598  0.343530  1
  Ni  Ni104  1  0.578642  0.131236  0.430311  1
  Ni  Ni105  1  0.578642  0.896784  0.387289  1
  Ni  Ni106  1  0.330557  0.590460  0.375164  1
  Ni  Ni107  1  0.326634  0.347105  0.336585  1
  Ni  Ni108  1  0.328206  0.824321  0.418569  1
  Ni  Ni109  1  0.326861  0.445724  0.437955  1
  Ni  Ni110  1  0.330306  0.203357  0.398997  1
  Ni  Ni111  1  0.328989  0.969114  0.355901  1
  Ni  Ni112  1  0.317717  0.538372  0.325991  1
  Ni  Ni113  1  0.320061  0.013967  0.408744  1
  Ni  Ni114  1  0.320885  0.779732  0.365663  1
  Ni  Ni115  1  0.839567  0.538372  0.325991  1
  Ni  Ni116  1  0.837223  0.013967  0.408744  1
  Ni  Ni117  1  0.836399  0.779732  0.365663  1
  Ni  Ni118  1  0.078642  0.518770  0.406476  1
  Ni  Ni119  1  0.078642  0.275447  0.368031  1
  Ni  Ni120  1  0.078642  0.041927  0.324646  1
  Ni  Ni121  1  0.830423  0.445724  0.437955  1
  Ni  Ni122  1  0.826978  0.203357  0.398997  1
  Ni  Ni123  1  0.828295  0.969114  0.355901  1
  Ni  Ni124  1  0.826727  0.590460  0.375164  1
  Ni  Ni125  1  0.830650  0.347105  0.336585  1
  Ni  Ni126  1  0.829078  0.824321  0.418569  1
  Ni  Ni127  1  0.818049  0.395501  0.388067  1
  Ni  Ni128  1  0.820376  0.158797  0.346165  1
  Ni  Ni129  1  0.820770  0.635334  0.428358  1
  Ni  Ni130  1  0.339235  0.395501  0.388067  1
  Ni  Ni131  1  0.336908  0.158797  0.346165  1
  Ni  Ni132  1  0.336514  0.635334  0.428358  1
  Ni  Ni133  1  0.578642  0.373965  0.469156  1
  Ni  Ni134  1  0.578642  0.843754  0.555173  1
  Ni  Ni135  1  0.578642  0.607669  0.512757  1
  Ni  Ni136  1  0.330453  0.301232  0.500559  1
  Ni  Ni137  1  0.327166  0.059374  0.461335  1
  Ni  Ni138  1  0.327934  0.534919  0.544023  1
  Ni  Ni139  1  0.326492  0.156974  0.562949  1
  Ni  Ni140  1  0.330202  0.915286  0.523689  1
  Ni  Ni141  1  0.329132  0.679705  0.481267  1
  Ni  Ni142  1  0.318336  0.251497  0.450311  1
  Ni  Ni143  1  0.319859  0.725772  0.533823  1
  Ni  Ni144  1  0.320756  0.490851  0.490940  1
  Ni  Ni145  1  0.838948  0.251497  0.450311  1
  Ni  Ni146  1  0.837425  0.725772  0.533823  1
  Ni  Ni147  1  0.836528  0.490851  0.490940  1
  Ni  Ni148  1  0.078642  0.229749  0.531669  1
  Ni  Ni149  1  0.078642  0.987442  0.492689  1
  Ni  Ni150  1  0.078642  0.752316  0.450018  1
  Ni  Ni151  1  0.830791  0.156974  0.562949  1
  Ni  Ni152  1  0.827082  0.915286  0.523689  1
  Ni  Ni153  1  0.828152  0.679705  0.481267  1
  Ni  Ni154  1  0.826831  0.301232  0.500559  1
  Ni  Ni155  1  0.830118  0.059374  0.461335  1
  Ni  Ni156  1  0.829350  0.534919  0.544023  1
  Ni  Ni157  1  0.818418  0.107373  0.512815  1
  Ni  Ni158  1  0.819923  0.869791  0.471322  1
  Ni  Ni159  1  0.821095  0.346555  0.553512  1
  Ni  Ni160  1  0.338866  0.107373  0.512815  1
  Ni  Ni161  1  0.337361  0.869791  0.471322  1
  Ni  Ni162  1  0.336189  0.346555  0.553512  1
  Ni  Ni163  1  0.578642  0.086363  0.594015  1
  Ni  Ni164  1  0.578642  0.554454  0.681652  1
  Ni  Ni165  1  0.578642  0.318085  0.639221  1
  Ni  Ni166  1  0.331081  0.012176  0.624869  1
  Ni  Ni167  1  0.326600  0.770867  0.586051  1
  Ni  Ni168  1  0.323831  0.241831  0.669946  1
  Ni  Ni169  1  0.330298  0.873682  0.687824  1
  Ni  Ni170  1  0.331017  0.625568  0.648237  1
  Ni  Ni171  1  0.330473  0.389403  0.606887  1
  Ni  Ni172  1  0.317964  0.963138  0.575543  1
  Ni  Ni173  1  0.316054  0.440251  0.658195  1
  Ni  Ni174  1  0.321992  0.202665  0.616181  1
  Ni  Ni175  1  0.839320  0.963138  0.575543  1
  Ni  Ni176  1  0.841229  0.440251  0.658195  1
  Ni  Ni177  1  0.835292  0.202665  0.616181  1
  Ni  Ni178  1  0.078642  0.941914  0.656081  1
  Ni  Ni179  1  0.078642  0.700025  0.617753  1
  Ni  Ni180  1  0.078642  0.462822  0.575669  1
  Ni  Ni181  1  0.826986  0.873682  0.687824  1
  Ni  Ni182  1  0.826267  0.625568  0.648237  1
  Ni  Ni183  1  0.826810  0.389403  0.606887  1
  Ni  Ni184  1  0.826203  0.012176  0.624869  1
  Ni  Ni185  1  0.830684  0.770867  0.586051  1
  Ni  Ni186  1  0.833453  0.241831  0.669946  1
  Ni  Ni187  1  0.814512  0.818438  0.638239  1
  Ni  Ni188  1  0.819548  0.581979  0.596150  1
  Ni  Ni189  1  0.825924  0.059306  0.679933  1
  Ni  Ni190  1  0.342772  0.818438  0.638239  1
  Ni  Ni191  1  0.337736  0.581979  0.596150  1
  Ni  Ni192  1  0.331360  0.059306  0.679933  1
