# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57802507
_cell_length_b   16.28161272
_cell_length_c   50.22321407
_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   4561.23432849
_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  1.062504  0.487916  0.305784  1
  Al  Al2  1  1.062504  0.958923  0.263263  1
  Al  Al3  1  1.062504  0.587503  0.257486  1
  Al  Al4  1  1.062504  0.112802  0.297100  1
  Al  Al5  1  1.062504  0.336356  0.276156  1
  Al  Al6  1  1.062504  0.862516  0.316262  1
  Al  Al7  1  0.562504  0.203526  0.246696  1
  Al  Al8  1  0.562504  0.725040  0.288329  1
  Al  Al9  1  0.562504  0.346838  0.276050  1
  Al  Al10  1  0.562504  0.878062  0.315290  1
  Al  Al11  1  0.562504  0.580231  0.257034  1
  Al  Al12  1  0.562504  0.097955  0.297804  1
  Al  Al13  1  1.062504  0.544154  0.382793  1
  Al  Al14  1  1.062504  0.015001  0.343517  1
  Al  Al15  1  1.062504  0.641309  0.334401  1
  Al  Al16  1  1.062504  0.169470  0.373134  1
  Al  Al17  1  1.062504  0.390474  0.354154  1
  Al  Al18  1  1.062504  0.919184  0.393206  1
  Al  Al19  1  0.562504  0.252642  0.325996  1
  Al  Al20  1  0.562504  0.780984  0.364923  1
  Al  Al21  1  0.562504  0.405026  0.353030  1
  Al  Al22  1  0.562504  0.933735  0.392181  1
  Al  Al23  1  0.562504  0.626672  0.335645  1
  Al  Al24  1  0.562504  0.155034  0.374342  1
  Al  Al25  1  1.062504  0.600607  0.459740  1
  Al  Al26  1  1.062504  0.072006  0.420877  1
  Al  Al27  1  1.062504  0.697749  0.411507  1
  Al  Al28  1  1.062504  0.226031  0.449912  1
  Al  Al29  1  1.062504  0.446930  0.431193  1
  Al  Al30  1  1.062504  0.975424  0.470068  1
  Al  Al31  1  0.562504  0.308656  0.402469  1
  Al  Al32  1  0.562504  0.837165  0.441454  1
  Al  Al33  1  0.562504  0.461592  0.430126  1
  Al  Al34  1  0.562504  -0.009850  0.469004  1
  Al  Al35  1  0.562504  0.683168  0.412606  1
  Al  Al36  1  0.562504  0.211342  0.450993  1
  Al  Al37  1  1.062504  0.657200  0.536725  1
  Al  Al38  1  1.062504  0.128681  0.497979  1
  Al  Al39  1  1.062504  0.754355  0.488412  1
  Al  Al40  1  1.062504  0.282523  0.526840  1
  Al  Al41  1  1.062504  0.503247  0.507979  1
  Al  Al42  1  1.062504  0.031719  0.546767  1
  Al  Al43  1  0.562504  0.364867  0.479209  1
  Al  Al44  1  0.562504  0.893691  0.518401  1
  Al  Al45  1  0.562504  0.517989  0.506915  1
  Al  Al46  1  0.562504  0.046346  0.545762  1
  Al  Al47  1  0.562504  0.739657  0.489522  1
  Al  Al48  1  0.562504  0.267902  0.527917  1
  Al  Al49  1  1.062504  0.714085  0.613735  1
  Al  Al50  1  1.062504  0.185216  0.574854  1
  Al  Al51  1  1.062504  0.810727  0.565226  1
  Al  Al52  1  1.062504  0.339059  0.603990  1
  Al  Al53  1  1.062504  0.559459  0.584518  1
  Al  Al54  1  1.062504  0.086838  0.623417  1
  Al  Al55  1  0.562504  0.421188  0.556074  1
  Al  Al56  1  0.562504  0.950458  0.595633  1
  Al  Al57  1  0.562504  0.574047  0.583315  1
  Al  Al58  1  0.562504  0.102245  0.622243  1
  Al  Al59  1  0.562504  0.796270  0.566392  1
  Al  Al60  1  0.562504  0.324617  0.605110  1
  Al  Al61  1  1.062504  0.766140  0.693821  1
  Al  Al62  1  1.062504  0.241761  0.651261  1
  Al  Al63  1  1.062504  0.867779  0.641859  1
  Al  Al64  1  1.062504  0.394315  0.681847  1
  Al  Al65  1  1.062504  0.617376  0.659652  1
  Al  Al66  1  1.062504  0.135996  0.700108  1
  Al  Al67  1  0.562504  0.478003  0.633063  1
  Al  Al68  1  0.562504  0.007078  0.675575  1
  Al  Al69  1  0.562504  0.631796  0.659162  1
  Al  Al70  1  0.562504  0.154905  0.700083  1
  Al  Al71  1  0.562504  0.851286  0.642865  1
  Al  Al72  1  0.562504  0.383018  0.682603  1
  Ni  Ni73  1  0.562504  0.487047  0.306230  1
  Ni  Ni74  1  0.562504  0.961393  0.266026  1
  Ni  Ni75  1  0.310683  0.369153  0.314949  1
  Ni  Ni76  1  0.311410  0.841899  0.277028  1
  Ni  Ni77  1  0.315361  0.605529  0.296543  1
  Ni  Ni78  1  0.309355  0.084369  0.258654  1
  Ni  Ni79  1  0.304211  0.462441  0.267059  1
  Ni  Ni80  1  0.294416  -0.013600  0.304380  1
  Ni  Ni81  1  0.820797  0.462441  0.267059  1
  Ni  Ni82  1  0.830592  -0.013600  0.304380  1
  Ni  Ni83  1  1.062504  0.209481  0.248779  1
  Ni  Ni84  1  1.062504  0.723925  0.289642  1
  Ni  Ni85  1  0.809647  0.605529  0.296543  1
  Ni  Ni86  1  0.815653  0.084369  0.258654  1
  Ni  Ni87  1  0.814325  0.369153  0.314949  1
  Ni  Ni88  1  0.813598  0.841899  0.277028  1
  Ni  Ni89  1  0.797760  0.222943  0.288000  1
  Ni  Ni90  1  0.812081  0.709186  0.249607  1
  Ni  Ni91  1  0.327248  0.222943  0.288000  1
  Ni  Ni92  1  0.312927  0.709186  0.249607  1
  Ni  Ni93  1  0.562504  0.544164  0.382747  1
  Ni  Ni94  1  0.562504  0.014641  0.343192  1
  Ni  Ni95  1  0.312596  0.426109  0.392138  1
  Ni  Ni96  1  0.312298  0.898059  0.354259  1
  Ni  Ni97  1  0.312271  0.662278  0.373532  1
  Ni  Ni98  1  0.313681  0.134118  0.335537  1
  Ni  Ni99  1  0.298276  0.515916  0.344321  1
  Ni  Ni100  1  0.299171  0.043606  0.382182  1
  Ni  Ni101  1  0.826732  0.515916  0.344321  1
  Ni  Ni102  1  0.825837  0.043606  0.382182  1
  Ni  Ni103  1  1.062504  0.251941  0.325965  1
  Ni  Ni104  1  1.062504  0.780918  0.364917  1
  Ni  Ni105  1  0.812737  0.662278  0.373532  1
  Ni  Ni106  1  0.811327  0.134118  0.335537  1
  Ni  Ni107  1  0.812412  0.426109  0.392138  1
  Ni  Ni108  1  0.812710  0.898059  0.354259  1
  Ni  Ni109  1  0.799214  0.280439  0.364208  1
  Ni  Ni110  1  0.797168  0.752912  0.326827  1
  Ni  Ni111  1  0.325794  0.280439  0.364208  1
  Ni  Ni112  1  0.327840  0.752912  0.326827  1
  Ni  Ni113  1  0.562504  0.600589  0.459740  1
  Ni  Ni114  1  0.562504  0.072027  0.420821  1
  Ni  Ni115  1  0.312479  0.482465  0.469070  1
  Ni  Ni116  1  0.312440  0.954597  0.431131  1
  Ni  Ni117  1  0.312529  0.718785  0.450505  1
  Ni  Ni118  1  0.312250  0.190602  0.412074  1
  Ni  Ni119  1  0.298909  0.572304  0.421263  1
  Ni  Ni120  1  0.298784  0.100374  0.459443  1
  Ni  Ni121  1  0.826099  0.572304  0.421263  1
  Ni  Ni122  1  0.826224  0.100374  0.459443  1
  Ni  Ni123  1  1.062504  0.308714  0.402520  1
  Ni  Ni124  1  1.062504  0.837190  0.441549  1
  Ni  Ni125  1  0.812479  0.718785  0.450505  1
  Ni  Ni126  1  0.812758  0.190602  0.412074  1
  Ni  Ni127  1  0.812529  0.482465  0.469070  1
  Ni  Ni128  1  0.812568  0.954597  0.431131  1
  Ni  Ni129  1  0.798868  0.336669  0.440845  1
  Ni  Ni130  1  0.799177  0.808961  0.403161  1
  Ni  Ni131  1  0.326140  0.336669  0.440845  1
  Ni  Ni132  1  0.325831  0.808961  0.403161  1
  Ni  Ni133  1  0.562504  0.657083  0.536722  1
  Ni  Ni134  1  0.562504  0.128656  0.497925  1
  Ni  Ni135  1  0.312197  0.538677  0.545707  1
  Ni  Ni136  1  0.312548  0.010977  0.507899  1
  Ni  Ni137  1  0.312686  0.775268  0.527376  1
  Ni  Ni138  1  0.312495  0.246975  0.488900  1
  Ni  Ni139  1  0.298777  0.628854  0.498224  1
  Ni  Ni140  1  0.298929  0.156904  0.536420  1
  Ni  Ni141  1  0.826231  0.628854  0.498224  1
  Ni  Ni142  1  0.826079  0.156904  0.536420  1
  Ni  Ni143  1  1.062504  0.364871  0.479232  1
  Ni  Ni144  1  1.062504  0.893667  0.518452  1
  Ni  Ni145  1  0.812322  0.775268  0.527376  1
  Ni  Ni146  1  0.812513  0.246975  0.488900  1
  Ni  Ni147  1  0.812811  0.538677  0.545707  1
  Ni  Ni148  1  0.812460  0.010977  0.507899  1
  Ni  Ni149  1  0.798870  0.393009  0.517630  1
  Ni  Ni150  1  0.798771  0.865324  0.479916  1
  Ni  Ni151  1  0.326138  0.393009  0.517630  1
  Ni  Ni152  1  0.326237  0.865324  0.479916  1
  Ni  Ni153  1  0.562504  0.714519  0.614010  1
  Ni  Ni154  1  0.562504  0.185045  0.574806  1
  Ni  Ni155  1  0.313789  0.595029  0.621796  1
  Ni  Ni156  1  0.312109  0.067288  0.584511  1
  Ni  Ni157  1  0.312004  0.831895  0.604093  1
  Ni  Ni158  1  0.312686  0.303496  0.565942  1
  Ni  Ni159  1  0.299250  0.685499  0.575248  1
  Ni  Ni160  1  0.299158  0.213014  0.613179  1
  Ni  Ni161  1  0.825758  0.685499  0.575248  1
  Ni  Ni162  1  0.825850  0.213014  0.613179  1
  Ni  Ni163  1  1.062504  0.421135  0.556101  1
  Ni  Ni164  1  1.062504  0.950712  0.595983  1
  Ni  Ni165  1  0.813004  0.831895  0.604093  1
  Ni  Ni166  1  0.812322  0.303496  0.565942  1
  Ni  Ni167  1  0.811219  0.595029  0.621796  1
  Ni  Ni168  1  0.812899  0.067288  0.584511  1
  Ni  Ni169  1  0.798997  0.449362  0.594579  1
  Ni  Ni170  1  0.799237  0.921921  0.557033  1
  Ni  Ni171  1  0.326011  0.449362  0.594579  1
  Ni  Ni172  1  0.325771  0.921921  0.557033  1
  Ni  Ni173  1  0.562504  0.761993  0.690949  1
  Ni  Ni174  1  0.562504  0.242590  0.651429  1
  Ni  Ni175  1  0.310964  0.639419  0.698900  1
  Ni  Ni176  1  0.314775  0.124266  0.660521  1
  Ni  Ni177  1  0.313213  0.884477  0.681064  1
  Ni  Ni178  1  0.312053  0.360717  0.643136  1
  Ni  Ni179  1  0.293725  0.742931  0.652654  1
  Ni  Ni180  1  0.296922  0.266617  0.690044  1
  Ni  Ni181  1  0.831283  0.742931  0.652654  1
  Ni  Ni182  1  0.828086  0.266617  0.690044  1
  Ni  Ni183  1  1.062504  0.478268  0.633119  1
  Ni  Ni184  1  1.062504  0.006114  0.672856  1
  Ni  Ni185  1  0.811795  0.884477  0.681064  1
  Ni  Ni186  1  0.812955  0.360717  0.643136  1
  Ni  Ni187  1  0.814044  0.639419  0.698900  1
  Ni  Ni188  1  0.810233  0.124266  0.660521  1
  Ni  Ni189  1  0.798660  0.507686  0.671771  1
  Ni  Ni190  1  0.793920  -0.021397  0.634800  1
  Ni  Ni191  1  0.326348  0.507686  0.671771  1
  Ni  Ni192  1  0.331088  -0.021397  0.634800  1
