# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96397753
_cell_length_b   18.20309519
_cell_length_c   47.08224376
_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   'Al84 Ni140'
_cell_volume   5968.42516467
_cell_formula_units_Z   28
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  0.504827  0.883121  0.323092  1
  Al  Al2  1  0.504827  0.316259  0.290422  1
  Al  Al3  1  0.504827  0.025487  0.329714  1
  Al  Al4  1  0.504827  0.463065  0.298568  1
  Al  Al5  1  0.504827  0.739226  0.318399  1
  Al  Al6  1  0.504827  0.163751  0.287625  1
  Al  Al7  1  0.004827  0.601951  0.308669  1
  Al  Al8  1  0.004827  0.161163  0.341842  1
  Al  Al9  1  0.004827  0.744999  0.315929  1
  Al  Al10  1  0.004827  0.183530  0.284251  1
  Al  Al11  1  0.004827  0.015760  0.335002  1
  Al  Al12  1  0.004827  0.454482  0.299166  1
  Al  Al13  1  0.504827  0.999820  0.387639  1
  Al  Al14  1  0.504827  0.439760  0.355802  1
  Al  Al15  1  0.504827  0.144003  0.394426  1
  Al  Al16  1  0.504827  0.583623  0.363254  1
  Al  Al17  1  0.504827  0.855280  0.381137  1
  Al  Al18  1  0.504827  0.295126  0.349699  1
  Al  Al19  1  0.004827  0.720067  0.372197  1
  Al  Al20  1  0.004827  0.279556  0.403383  1
  Al  Al21  1  0.004827  0.864499  0.378927  1
  Al  Al22  1  0.004827  0.303734  0.348120  1
  Al  Al23  1  0.004827  0.134902  0.397103  1
  Al  Al24  1  0.004827  0.574736  0.365255  1
  Al  Al25  1  0.504827  0.119386  0.450363  1
  Al  Al26  1  0.504827  0.559099  0.418931  1
  Al  Al27  1  0.504827  0.264049  0.456732  1
  Al  Al28  1  0.504827  0.703699  0.425419  1
  Al  Al29  1  0.504827  0.974722  0.443930  1
  Al  Al30  1  0.504827  0.414985  0.412358  1
  Al  Al31  1  0.004827  0.839223  0.434696  1
  Al  Al32  1  0.004827  0.399288  0.465881  1
  Al  Al33  1  0.004827  0.983830  0.441109  1
  Al  Al34  1  0.004827  0.423972  0.409310  1
  Al  Al35  1  0.004827  0.254912  0.459477  1
  Al  Al36  1  0.004827  0.694660  0.428255  1
  Al  Al37  1  0.504827  0.239269  0.512869  1
  Al  Al38  1  0.504827  0.678842  0.481635  1
  Al  Al39  1  0.504827  0.383672  0.519426  1
  Al  Al40  1  0.504827  0.823424  0.488024  1
  Al  Al41  1  0.504827  0.094610  0.506337  1
  Al  Al42  1  0.504827  0.534434  0.475163  1
  Al  Al43  1  0.004827  0.958983  0.497146  1
  Al  Al44  1  0.004827  0.518769  0.528726  1
  Al  Al45  1  0.004827  0.103751  0.503619  1
  Al  Al46  1  0.004827  0.543589  0.472366  1
  Al  Al47  1  0.004827  0.374489  0.522218  1
  Al  Al48  1  0.004827  0.814286  0.490758  1
  Al  Al49  1  0.504827  0.358979  0.575736  1
  Al  Al50  1  0.504827  0.798525  0.544133  1
  Al  Al51  1  0.504827  0.502974  0.582226  1
  Al  Al52  1  0.504827  0.943233  0.550391  1
  Al  Al53  1  0.504827  0.214523  0.569049  1
  Al  Al54  1  0.504827  0.653989  0.537848  1
  Al  Al55  1  0.004827  0.078989  0.559545  1
  Al  Al56  1  0.004827  0.638347  0.591272  1
  Al  Al57  1  0.004827  0.223597  0.566195  1
  Al  Al58  1  0.004827  0.663102  0.535094  1
  Al  Al59  1  0.004827  0.493980  0.585251  1
  Al  Al60  1  0.004827  0.934175  0.553109  1
  Al  Al61  1  0.504827  0.477614  0.638768  1
  Al  Al62  1  0.504827  0.918369  0.606136  1
  Al  Al63  1  0.504827  0.622943  0.644905  1
  Al  Al64  1  0.504827  0.063225  0.612990  1
  Al  Al65  1  0.504827  0.333848  0.631523  1
  Al  Al66  1  0.504827  0.773766  0.600386  1
  Al  Al67  1  0.004827  0.198444  0.622199  1
  Al  Al68  1  0.004827  0.757605  0.653752  1
  Al  Al69  1  0.004827  0.343215  0.629508  1
  Al  Al70  1  0.004827  0.782689  0.597455  1
  Al  Al71  1  0.004827  0.614043  0.646525  1
  Al  Al72  1  0.004827  0.053946  0.615264  1
  Al  Al73  1  0.504827  0.598435  0.703869  1
  Al  Al74  1  0.504827  0.036210  0.670267  1
  Al  Al75  1  0.504827  0.747093  0.708888  1
  Al  Al76  1  0.504827  0.178630  0.675224  1
  Al  Al77  1  0.504827  0.446315  0.696759  1
  Al  Al78  1  0.504827  0.893846  0.660948  1
  Al  Al79  1  0.004827  0.319740  0.689600  1
  Al  Al80  1  0.004827  0.888776  0.717579  1
  Al  Al81  1  0.004827  0.464497  0.694107  1
  Al  Al82  1  0.004827  0.902625  0.659219  1
  Al  Al83  1  0.004827  0.731726  0.711326  1
  Al  Al84  1  0.004827  0.172555  0.678442  1
  Ni  Ni85  1  0.004827  0.880448  0.326270  1
  Ni  Ni86  1  0.004827  0.317761  0.296948  1
  Ni  Ni87  1  0.238843  0.960108  0.303150  1
  Ni  Ni88  1  0.253196  0.518976  0.332617  1
  Ni  Ni89  1  0.263290  0.681873  0.288345  1
  Ni  Ni90  1  0.258234  0.238392  0.317689  1
  Ni  Ni91  1  0.756669  0.822305  0.295843  1
  Ni  Ni92  1  0.746894  0.378868  0.324587  1
  Ni  Ni93  1  0.252985  0.822305  0.295843  1
  Ni  Ni94  1  0.262760  0.378868  0.324587  1
  Ni  Ni95  1  0.504827  0.602899  0.311419  1
  Ni  Ni96  1  0.504827  0.159109  0.341271  1
  Ni  Ni97  1  0.746365  0.681873  0.288345  1
  Ni  Ni98  1  0.751420  0.238392  0.317689  1
  Ni  Ni99  1  0.770811  0.960108  0.303150  1
  Ni  Ni100  1  0.756458  0.518976  0.332617  1
  Ni  Ni101  1  0.262763  0.548643  0.281134  1
  Ni  Ni102  1  0.233790  0.099032  0.310867  1
  Ni  Ni103  1  0.746891  0.548643  0.281134  1
  Ni  Ni104  1  0.775865  0.099032  0.310867  1
  Ni  Ni105  1  0.004827  0.999571  0.387807  1
  Ni  Ni106  1  0.004827  0.439180  0.354947  1
  Ni  Ni107  1  0.256315  0.079481  0.364398  1
  Ni  Ni108  1  0.254346  0.639401  0.395555  1
  Ni  Ni109  1  0.255964  0.800556  0.348942  1
  Ni  Ni110  1  0.255497  0.359921  0.379469  1
  Ni  Ni111  1  0.745935  0.939779  0.356590  1
  Ni  Ni112  1  0.749231  0.499240  0.387332  1
  Ni  Ni113  1  0.263719  0.939779  0.356590  1
  Ni  Ni114  1  0.260423  0.499240  0.387332  1
  Ni  Ni115  1  0.504827  0.719574  0.371892  1
  Ni  Ni116  1  0.504827  0.279739  0.403359  1
  Ni  Ni117  1  0.753690  0.800556  0.348942  1
  Ni  Ni118  1  0.754157  0.359921  0.379469  1
  Ni  Ni119  1  0.753339  0.079481  0.364398  1
  Ni  Ni120  1  0.755308  0.639401  0.395555  1
  Ni  Ni121  1  0.248418  0.660201  0.341239  1
  Ni  Ni122  1  0.250720  0.219747  0.372194  1
  Ni  Ni123  1  0.761236  0.660201  0.341239  1
  Ni  Ni124  1  0.758934  0.219747  0.372194  1
  Ni  Ni125  1  0.004827  0.119371  0.450341  1
  Ni  Ni126  1  0.004827  0.559220  0.418850  1
  Ni  Ni127  1  0.254891  0.199530  0.426895  1
  Ni  Ni128  1  0.254939  0.758999  0.458147  1
  Ni  Ni129  1  0.255559  0.919521  0.411256  1
  Ni  Ni130  1  0.254550  0.479213  0.442354  1
  Ni  Ni131  1  0.748397  0.059383  0.419093  1
  Ni  Ni132  1  0.748555  0.619038  0.450298  1
  Ni  Ni133  1  0.261257  0.059383  0.419093  1
  Ni  Ni134  1  0.261099  0.619038  0.450298  1
  Ni  Ni135  1  0.504827  0.839214  0.434693  1
  Ni  Ni136  1  0.504827  0.399310  0.465909  1
  Ni  Ni137  1  0.754095  0.919521  0.411256  1
  Ni  Ni138  1  0.755105  0.479213  0.442354  1
  Ni  Ni139  1  0.754763  0.199530  0.426895  1
  Ni  Ni140  1  0.754715  0.758999  0.458147  1
  Ni  Ni141  1  0.249291  0.779503  0.403428  1
  Ni  Ni142  1  0.248653  0.339565  0.434541  1
  Ni  Ni143  1  0.760363  0.779503  0.403428  1
  Ni  Ni144  1  0.761001  0.339565  0.434541  1
  Ni  Ni145  1  0.004827  0.239229  0.512865  1
  Ni  Ni146  1  0.004827  0.678866  0.481641  1
  Ni  Ni147  1  0.254789  0.319314  0.489415  1
  Ni  Ni148  1  0.254826  0.878739  0.520600  1
  Ni  Ni149  1  0.254738  0.039207  0.473744  1
  Ni  Ni150  1  0.254770  0.598774  0.505154  1
  Ni  Ni151  1  0.748638  0.179354  0.481581  1
  Ni  Ni152  1  0.748706  0.738672  0.512907  1
  Ni  Ni153  1  0.261016  0.179354  0.481581  1
  Ni  Ni154  1  0.260948  0.738672  0.512907  1
  Ni  Ni155  1  0.504827  0.958996  0.497171  1
  Ni  Ni156  1  0.504827  0.518770  0.528677  1
  Ni  Ni157  1  0.754916  0.039207  0.473744  1
  Ni  Ni158  1  0.754884  0.598774  0.505154  1
  Ni  Ni159  1  0.754865  0.319314  0.489415  1
  Ni  Ni160  1  0.754828  0.878739  0.520600  1
  Ni  Ni161  1  0.248678  0.899067  0.465935  1
  Ni  Ni162  1  0.248412  0.459041  0.497302  1
  Ni  Ni163  1  0.760976  0.899067  0.465935  1
  Ni  Ni164  1  0.761242  0.459041  0.497302  1
  Ni  Ni165  1  0.004827  0.358890  0.575707  1
  Ni  Ni166  1  0.004827  0.798528  0.544092  1
  Ni  Ni167  1  0.254620  0.438823  0.552271  1
  Ni  Ni168  1  0.255131  0.998734  0.582888  1
  Ni  Ni169  1  0.255005  0.159147  0.536249  1
  Ni  Ni170  1  0.255030  0.718391  0.567715  1
  Ni  Ni171  1  0.748329  0.299100  0.544260  1
  Ni  Ni172  1  0.749103  0.858371  0.575244  1
  Ni  Ni173  1  0.261325  0.299100  0.544260  1
  Ni  Ni174  1  0.260551  0.858371  0.575244  1
  Ni  Ni175  1  0.504827  0.078948  0.559595  1
  Ni  Ni176  1  0.504827  0.638298  0.591304  1
  Ni  Ni177  1  0.754649  0.159147  0.536249  1
  Ni  Ni178  1  0.754624  0.718391  0.567715  1
  Ni  Ni179  1  0.755034  0.438823  0.552271  1
  Ni  Ni180  1  0.754523  0.998734  0.582888  1
  Ni  Ni181  1  0.248703  0.018964  0.528350  1
  Ni  Ni182  1  0.248702  0.578464  0.560066  1
  Ni  Ni183  1  0.760951  0.018964  0.528350  1
  Ni  Ni184  1  0.760952  0.578464  0.560066  1
  Ni  Ni185  1  0.004827  0.478833  0.639216  1
  Ni  Ni186  1  0.004827  0.918491  0.606286  1
  Ni  Ni187  1  0.255940  0.558011  0.615113  1
  Ni  Ni188  1  0.254345  0.118058  0.645256  1
  Ni  Ni189  1  0.254174  0.278841  0.599058  1
  Ni  Ni190  1  0.253736  0.837984  0.630019  1
  Ni  Ni191  1  0.749240  0.418529  0.607408  1
  Ni  Ni192  1  0.747930  0.978664  0.637368  1
  Ni  Ni193  1  0.260414  0.418529  0.607408  1
  Ni  Ni194  1  0.261724  0.978664  0.637368  1
  Ni  Ni195  1  0.504827  0.198971  0.622522  1
  Ni  Ni196  1  0.504827  0.759121  0.654179  1
  Ni  Ni197  1  0.755480  0.278841  0.599058  1
  Ni  Ni198  1  0.755918  0.837984  0.630019  1
  Ni  Ni199  1  0.753714  0.558011  0.615113  1
  Ni  Ni200  1  0.755310  0.118058  0.645256  1
  Ni  Ni201  1  0.248933  0.138847  0.590867  1
  Ni  Ni202  1  0.249777  0.698284  0.622671  1
  Ni  Ni203  1  0.760721  0.138847  0.590867  1
  Ni  Ni204  1  0.759877  0.698284  0.622671  1
  Ni  Ni205  1  0.004827  0.598921  0.697454  1
  Ni  Ni206  1  0.004827  0.037291  0.668334  1
  Ni  Ni207  1  0.258196  0.679128  0.677194  1
  Ni  Ni208  1  0.264509  0.233959  0.705324  1
  Ni  Ni209  1  0.252568  0.397902  0.662206  1
  Ni  Ni210  1  0.250971  0.959072  0.691066  1
  Ni  Ni211  1  0.744028  0.538424  0.669751  1
  Ni  Ni212  1  0.753924  0.095112  0.698640  1
  Ni  Ni213  1  0.265626  0.538424  0.669751  1
  Ni  Ni214  1  0.255730  0.095112  0.698640  1
  Ni  Ni215  1  0.504827  0.314042  0.683459  1
  Ni  Ni216  1  0.504827  0.882833  0.711543  1
  Ni  Ni217  1  0.757086  0.397902  0.662206  1
  Ni  Ni218  1  0.758683  0.959072  0.691066  1
  Ni  Ni219  1  0.751458  0.679128  0.677194  1
  Ni  Ni220  1  0.745145  0.233959  0.705324  1
  Ni  Ni221  1  0.244054  0.258677  0.653592  1
  Ni  Ni222  1  0.242659  0.819393  0.684612  1
  Ni  Ni223  1  0.765600  0.258677  0.653592  1
  Ni  Ni224  1  0.766995  0.819393  0.684612  1
