# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59597877
_cell_length_b   24.05393400
_cell_length_c   50.86839424
_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   'Al108 Ni180'
_cell_volume   6847.15567027
_cell_formula_units_Z   36
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  1.060699  0.263719  0.312317  1
  Al  Al2  1  1.060699  0.588799  0.288640  1
  Al  Al3  1  1.060699  0.914720  0.257964  1
  Al  Al4  1  1.060699  0.336524  0.266698  1
  Al  Al5  1  1.060699  0.688621  0.319023  1
  Al  Al6  1  1.060699  0.012014  0.294612  1
  Al  Al7  1  1.060699  0.164891  0.280027  1
  Al  Al8  1  1.060699  0.497297  0.254231  1
  Al  Al9  1  1.060699  0.839353  0.307039  1
  Al  Al10  1  0.560699  0.081442  0.247031  1
  Al  Al11  1  0.560699  0.426545  0.300349  1
  Al  Al12  1  0.560699  0.749312  0.269776  1
  Al  Al13  1  0.560699  0.172624  0.279692  1
  Al  Al14  1  0.560699  0.502007  0.255185  1
  Al  Al15  1  0.560699  0.850649  0.306238  1
  Al  Al16  1  0.560699  0.330327  0.266731  1
  Al  Al17  1  0.560699  0.677622  0.319803  1
  Al  Al18  1  0.560699  0.001447  0.294964  1
  Al  Al19  1  1.060699  0.290021  0.389194  1
  Al  Al20  1  1.060699  0.615090  0.365257  1
  Al  Al21  1  1.060699  0.938921  0.338046  1
  Al  Al22  1  1.060699  0.362975  0.343926  1
  Al  Al23  1  1.060699  0.714201  0.395856  1
  Al  Al24  1  1.060699  0.038621  0.370594  1
  Al  Al25  1  1.060699  0.190575  0.357463  1
  Al  Al26  1  1.060699  0.515406  0.332966  1
  Al  Al27  1  1.060699  0.866020  0.383515  1
  Al  Al28  1  0.560699  0.101802  0.326383  1
  Al  Al29  1  0.560699  0.452516  0.377197  1
  Al  Al30  1  0.560699  0.776418  0.350024  1
  Al  Al31  1  0.560699  0.200762  0.356717  1
  Al  Al32  1  0.560699  0.525651  0.332002  1
  Al  Al33  1  0.560699  0.876180  0.382698  1
  Al  Al34  1  0.560699  0.352804  0.344777  1
  Al  Al35  1  0.560699  0.703996  0.396535  1
  Al  Al36  1  0.560699  0.028472  0.371484  1
  Al  Al37  1  1.060699  0.316301  0.466142  1
  Al  Al38  1  1.060699  0.641246  0.441772  1
  Al  Al39  1  1.060699  0.965438  0.415157  1
  Al  Al40  1  1.060699  0.389444  0.421061  1
  Al  Al41  1  1.060699  0.740467  0.472612  1
  Al  Al42  1  1.060699  0.065069  0.447353  1
  Al  Al43  1  1.060699  0.216869  0.434470  1
  Al  Al44  1  1.060699  0.541685  0.409840  1
  Al  Al45  1  1.060699  0.892325  0.460355  1
  Al  Al46  1  0.560699  0.127998  0.402777  1
  Al  Al47  1  0.560699  0.478792  0.454117  1
  Al  Al48  1  0.560699  0.802986  0.427384  1
  Al  Al49  1  0.560699  0.227166  0.433719  1
  Al  Al50  1  0.560699  0.551921  0.409083  1
  Al  Al51  1  0.560699  0.902633  0.459567  1
  Al  Al52  1  0.560699  0.379178  0.421847  1
  Al  Al53  1  0.560699  0.730136  0.473368  1
  Al  Al54  1  0.560699  0.054750  0.448109  1
  Al  Al55  1  1.060699  0.342674  0.543103  1
  Al  Al56  1  1.060699  0.667594  0.518687  1
  Al  Al57  1  1.060699  -0.008166  0.492199  1
  Al  Al58  1  1.060699  0.415822  0.498027  1
  Al  Al59  1  1.060699  0.766602  0.549360  1
  Al  Al60  1  1.060699  0.091368  0.524269  1
  Al  Al61  1  1.060699  0.243071  0.511223  1
  Al  Al62  1  1.060699  0.567990  0.486746  1
  Al  Al63  1  1.060699  0.918682  0.537304  1
  Al  Al64  1  0.560699  0.154153  0.479510  1
  Al  Al65  1  0.560699  0.505221  0.531178  1
  Al  Al66  1  0.560699  0.829422  0.504474  1
  Al  Al67  1  0.560699  0.253413  0.510488  1
  Al  Al68  1  0.560699  0.578301  0.485959  1
  Al  Al69  1  0.560699  0.928955  0.536536  1
  Al  Al70  1  0.560699  0.405507  0.498821  1
  Al  Al71  1  0.560699  0.756339  0.550036  1
  Al  Al72  1  0.560699  0.081098  0.525030  1
  Al  Al73  1  1.060699  0.369268  0.620076  1
  Al  Al74  1  1.060699  0.693937  0.595857  1
  Al  Al75  1  1.060699  0.018159  0.569142  1
  Al  Al76  1  1.060699  0.442144  0.574820  1
  Al  Al77  1  1.060699  0.792531  0.625766  1
  Al  Al78  1  1.060699  0.117837  0.601446  1
  Al  Al79  1  1.060699  0.269351  0.587757  1
  Al  Al80  1  1.060699  0.594399  0.563571  1
  Al  Al81  1  1.060699  0.945158  0.614425  1
  Al  Al82  1  0.560699  0.180343  0.556339  1
  Al  Al83  1  0.560699  0.531685  0.608341  1
  Al  Al84  1  0.560699  0.855742  0.581335  1
  Al  Al85  1  0.560699  0.279617  0.586864  1
  Al  Al86  1  0.560699  0.604577  0.562794  1
  Al  Al87  1  0.560699  0.955230  0.613539  1
  Al  Al88  1  0.560699  0.431980  0.575694  1
  Al  Al89  1  0.560699  0.781772  0.626656  1
  Al  Al90  1  0.560699  0.107688  0.602192  1
  Al  Al91  1  1.060699  0.391370  0.700174  1
  Al  Al92  1  1.060699  0.720621  0.675665  1
  Al  Al93  1  1.060699  0.044707  0.645797  1
  Al  Al94  1  1.060699  0.468780  0.651376  1
  Al  Al95  1  1.060699  0.815539  0.703761  1
  Al  Al96  1  1.060699  0.143840  0.679133  1
  Al  Al97  1  1.060699  0.297119  0.662915  1
  Al  Al98  1  1.060699  0.619448  0.640112  1
  Al  Al99  1  1.060699  0.970983  0.691668  1
  Al  Al100  1  0.560699  0.206938  0.633244  1
  Al  Al101  1  0.560699  0.556696  0.688424  1
  Al  Al102  1  0.560699  0.882307  0.657689  1
  Al  Al103  1  0.560699  0.307030  0.662765  1
  Al  Al104  1  0.560699  0.630972  0.639304  1
  Al  Al105  1  0.560699  -0.021101  0.691446  1
  Al  Al106  1  0.560699  0.457287  0.652016  1
  Al  Al107  1  0.560699  0.802638  0.703161  1
  Al  Al108  1  0.560699  0.136715  0.679825  1
  Ni  Ni109  1  0.560699  0.263438  0.312450  1
  Ni  Ni110  1  0.560699  0.587474  0.289986  1
  Ni  Ni111  1  0.560699  0.916295  0.261029  1
  Ni  Ni112  1  0.309929  0.182297  0.318522  1
  Ni  Ni113  1  0.306823  0.507079  0.293999  1
  Ni  Ni114  1  0.310790  0.833403  0.268267  1
  Ni  Ni115  1  0.312319  0.344678  0.305771  1
  Ni  Ni116  1  0.312999  0.668909  0.280906  1
  Ni  Ni117  1  0.307232  -0.000432  0.256042  1
  Ni  Ni118  1  0.299626  0.250798  0.273659  1
  Ni  Ni119  1  0.310572  0.585169  0.250130  1
  Ni  Ni120  1  0.291357  0.925489  0.299081  1
  Ni  Ni121  1  0.821772  0.250798  0.273659  1
  Ni  Ni122  1  0.810827  0.585169  0.250130  1
  Ni  Ni123  1  0.830042  0.925489  0.299081  1
  Ni  Ni124  1  1.060699  0.085329  0.249381  1
  Ni  Ni125  1  1.060699  0.425628  0.300869  1
  Ni  Ni126  1  1.060699  0.749909  0.272820  1
  Ni  Ni127  1  0.809080  0.344678  0.305771  1
  Ni  Ni128  1  0.808399  0.668909  0.280906  1
  Ni  Ni129  1  0.814167  -0.000432  0.256042  1
  Ni  Ni130  1  0.811469  0.182297  0.318522  1
  Ni  Ni131  1  0.814576  0.507079  0.293999  1
  Ni  Ni132  1  0.810609  0.833403  0.268267  1
  Ni  Ni133  1  0.794500  0.087202  0.288301  1
  Ni  Ni134  1  0.803237  0.416859  0.261812  1
  Ni  Ni135  1  0.791224  0.763353  0.310871  1
  Ni  Ni136  1  0.326898  0.087202  0.288301  1
  Ni  Ni137  1  0.318162  0.416859  0.261812  1
  Ni  Ni138  1  0.330174  0.763353  0.310871  1
  Ni  Ni139  1  0.560699  0.290024  0.389181  1
  Ni  Ni140  1  0.560699  0.615118  0.365205  1
  Ni  Ni141  1  0.560699  0.938673  0.337728  1
  Ni  Ni142  1  0.310692  0.208910  0.395608  1
  Ni  Ni143  1  0.311109  0.533712  0.370960  1
  Ni  Ni144  1  0.310474  0.857920  0.344835  1
  Ni  Ni145  1  0.310544  0.371176  0.382904  1
  Ni  Ni146  1  0.310517  0.695872  0.357806  1
  Ni  Ni147  1  0.311893  0.020418  0.332849  1
  Ni  Ni148  1  0.296568  0.276801  0.350735  1
  Ni  Ni149  1  0.294756  0.602079  0.327131  1
  Ni  Ni150  1  0.297087  0.952143  0.376587  1
  Ni  Ni151  1  0.824830  0.276801  0.350735  1
  Ni  Ni152  1  0.826642  0.602079  0.327131  1
  Ni  Ni153  1  0.824312  0.952143  0.376587  1
  Ni  Ni154  1  1.060699  0.101500  0.326197  1
  Ni  Ni155  1  1.060699  0.452581  0.377192  1
  Ni  Ni156  1  1.060699  0.776316  0.349676  1
  Ni  Ni157  1  0.810855  0.371176  0.382904  1
  Ni  Ni158  1  0.810882  0.695872  0.357806  1
  Ni  Ni159  1  0.809505  0.020418  0.332849  1
  Ni  Ni160  1  0.810707  0.208910  0.395608  1
  Ni  Ni161  1  0.810289  0.533712  0.370960  1
  Ni  Ni162  1  0.810925  0.857920  0.344835  1
  Ni  Ni163  1  0.797257  0.114797  0.364525  1
  Ni  Ni164  1  0.796074  0.439379  0.338812  1
  Ni  Ni165  1  0.796998  0.789782  0.388694  1
  Ni  Ni166  1  0.324142  0.114797  0.364525  1
  Ni  Ni167  1  0.325324  0.439379  0.338812  1
  Ni  Ni168  1  0.324400  0.789782  0.388694  1
  Ni  Ni169  1  0.560699  0.316284  0.466136  1
  Ni  Ni170  1  0.560699  0.641239  0.441858  1
  Ni  Ni171  1  0.560699  0.965490  0.415158  1
  Ni  Ni172  1  0.310699  0.235128  0.472493  1
  Ni  Ni173  1  0.310653  0.559983  0.447901  1
  Ni  Ni174  1  0.310787  0.884312  0.421539  1
  Ni  Ni175  1  0.310716  0.397482  0.459948  1
  Ni  Ni176  1  0.310849  0.722140  0.434610  1
  Ni  Ni177  1  0.310447  0.046841  0.409360  1
  Ni  Ni178  1  0.296631  0.303139  0.427667  1
  Ni  Ni179  1  0.297018  0.628130  0.403477  1
  Ni  Ni180  1  0.296544  -0.021363  0.453694  1
  Ni  Ni181  1  0.824768  0.303139  0.427667  1
  Ni  Ni182  1  0.824381  0.628130  0.403477  1
  Ni  Ni183  1  0.824855  -0.021363  0.453694  1
  Ni  Ni184  1  1.060699  0.128027  0.402841  1
  Ni  Ni185  1  1.060699  0.478802  0.454142  1
  Ni  Ni186  1  1.060699  0.802968  0.427343  1
  Ni  Ni187  1  0.810683  0.397482  0.459948  1
  Ni  Ni188  1  0.810549  0.722140  0.434610  1
  Ni  Ni189  1  0.810952  0.046841  0.409360  1
  Ni  Ni190  1  0.810700  0.235128  0.472493  1
  Ni  Ni191  1  0.810745  0.559983  0.447901  1
  Ni  Ni192  1  0.810611  0.884312  0.421539  1
  Ni  Ni193  1  0.796614  0.141037  0.441147  1
  Ni  Ni194  1  0.796689  0.465622  0.415648  1
  Ni  Ni195  1  0.796544  0.816234  0.465948  1
  Ni  Ni196  1  0.324784  0.141037  0.441147  1
  Ni  Ni197  1  0.324709  0.465622  0.415648  1
  Ni  Ni198  1  0.324854  0.816234  0.465948  1
  Ni  Ni199  1  0.560699  0.342592  0.543089  1
  Ni  Ni200  1  0.560699  0.667603  0.518717  1
  Ni  Ni201  1  0.560699  -0.008160  0.492186  1
  Ni  Ni202  1  0.310390  0.261296  0.549114  1
  Ni  Ni203  1  0.310686  0.586335  0.524754  1
  Ni  Ni204  1  0.310737  0.910671  0.498441  1
  Ni  Ni205  1  0.310891  0.423829  0.536843  1
  Ni  Ni206  1  0.310585  0.748437  0.511344  1
  Ni  Ni207  1  0.310692  0.073087  0.486170  1
  Ni  Ni208  1  0.296563  0.329464  0.504612  1
  Ni  Ni209  1  0.296544  0.654377  0.480213  1
  Ni  Ni210  1  0.296612  0.004990  0.530674  1
  Ni  Ni211  1  0.824835  0.329464  0.504612  1
  Ni  Ni212  1  0.824854  0.654377  0.480213  1
  Ni  Ni213  1  0.824787  0.004990  0.530674  1
  Ni  Ni214  1  1.060699  0.154157  0.479525  1
  Ni  Ni215  1  1.060699  0.505202  0.531185  1
  Ni  Ni216  1  1.060699  0.829418  0.504422  1
  Ni  Ni217  1  0.810508  0.423829  0.536843  1
  Ni  Ni218  1  0.810814  0.748437  0.511344  1
  Ni  Ni219  1  0.810706  0.073087  0.486170  1
  Ni  Ni220  1  0.811009  0.261296  0.549114  1
  Ni  Ni221  1  0.810712  0.586335  0.524754  1
  Ni  Ni222  1  0.810661  0.910671  0.498441  1
  Ni  Ni223  1  0.796652  0.167252  0.517913  1
  Ni  Ni224  1  0.796530  0.491992  0.492632  1
  Ni  Ni225  1  0.796687  0.842553  0.542907  1
  Ni  Ni226  1  0.324746  0.167252  0.517913  1
  Ni  Ni227  1  0.324869  0.491992  0.492632  1
  Ni  Ni228  1  0.324711  0.842553  0.542907  1
  Ni  Ni229  1  0.560699  0.369569  0.620365  1
  Ni  Ni230  1  0.560699  0.694000  0.596205  1
  Ni  Ni231  1  0.560699  0.018089  0.569113  1
  Ni  Ni232  1  0.312086  0.287703  0.625204  1
  Ni  Ni233  1  0.310758  0.612608  0.601479  1
  Ni  Ni234  1  0.310381  0.936988  0.575448  1
  Ni  Ni235  1  0.309998  0.450305  0.613514  1
  Ni  Ni236  1  0.311256  0.774580  0.587950  1
  Ni  Ni237  1  0.310749  0.099389  0.563216  1
  Ni  Ni238  1  0.297051  0.355939  0.581599  1
  Ni  Ni239  1  0.297041  0.680724  0.557279  1
  Ni  Ni240  1  0.296869  0.031342  0.607522  1
  Ni  Ni241  1  0.824348  0.355939  0.581599  1
  Ni  Ni242  1  0.824358  0.680724  0.557279  1
  Ni  Ni243  1  0.824530  0.031342  0.607522  1
  Ni  Ni244  1  1.060699  0.180322  0.556355  1
  Ni  Ni245  1  1.060699  0.531889  0.608673  1
  Ni  Ni246  1  1.060699  0.855590  0.581280  1
  Ni  Ni247  1  0.811400  0.450305  0.613514  1
  Ni  Ni248  1  0.810142  0.774580  0.587950  1
  Ni  Ni249  1  0.810650  0.099389  0.563216  1
  Ni  Ni250  1  0.809312  0.287703  0.625204  1
  Ni  Ni251  1  0.810640  0.612608  0.601479  1
  Ni  Ni252  1  0.811018  0.936988  0.575448  1
  Ni  Ni253  1  0.796818  0.193581  0.594796  1
  Ni  Ni254  1  0.797066  0.518478  0.569775  1
  Ni  Ni255  1  0.797093  0.868642  0.619632  1
  Ni  Ni256  1  0.324581  0.193581  0.594796  1
  Ni  Ni257  1  0.324332  0.518478  0.569775  1
  Ni  Ni258  1  0.324305  0.868642  0.619632  1
  Ni  Ni259  1  0.560699  0.388839  0.697173  1
  Ni  Ni260  1  0.560699  0.720739  0.672750  1
  Ni  Ni261  1  0.560699  0.044867  0.645747  1
  Ni  Ni262  1  0.309030  0.305249  0.702101  1
  Ni  Ni263  1  0.311611  0.637972  0.678149  1
  Ni  Ni264  1  0.311738  0.963863  0.652492  1
  Ni  Ni265  1  0.312123  0.472580  0.690259  1
  Ni  Ni266  1  0.307701  0.801875  0.663912  1
  Ni  Ni267  1  0.310732  0.126176  0.640441  1
  Ni  Ni268  1  0.291359  0.382772  0.659009  1
  Ni  Ni269  1  0.291472  0.706908  0.634949  1
  Ni  Ni270  1  0.298754  0.057198  0.684283  1
  Ni  Ni271  1  0.830040  0.382772  0.659009  1
  Ni  Ni272  1  0.829926  0.706908  0.634949  1
  Ni  Ni273  1  0.822644  0.057198  0.684283  1
  Ni  Ni274  1  1.060699  0.207038  0.633321  1
  Ni  Ni275  1  1.060699  0.555576  0.685202  1
  Ni  Ni276  1  1.060699  0.883086  0.657914  1
  Ni  Ni277  1  0.809275  0.472580  0.690259  1
  Ni  Ni278  1  0.813698  0.801875  0.663912  1
  Ni  Ni279  1  0.810666  0.126176  0.640441  1
  Ni  Ni280  1  0.812369  0.305249  0.702101  1
  Ni  Ni281  1  0.809788  0.637972  0.678149  1
  Ni  Ni282  1  0.809661  0.963863  0.652492  1
  Ni  Ni283  1  0.796639  0.221573  0.671881  1
  Ni  Ni284  1  0.790572  0.544614  0.647358  1
  Ni  Ni285  1  0.794314  0.891972  0.696529  1
  Ni  Ni286  1  0.324759  0.221573  0.671881  1
  Ni  Ni287  1  0.330826  0.544614  0.647358  1
  Ni  Ni288  1  0.327085  0.891972  0.696529  1
