# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33290235
_cell_length_b   18.92672007
_cell_length_c   56.58275740
_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   5711.14383989
_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  0.088359  0.857563  0.225482  1
  Al  Al2  1  0.088359  0.412215  0.258663  1
  Al  Al3  1  0.088359  0.001144  0.234821  1
  Al  Al4  1  0.088359  0.556026  0.265641  1
  Al  Al5  1  0.088359  0.711934  0.219627  1
  Al  Al6  1  0.088359  0.270269  0.251724  1
  Al  Al7  1  0.588359  0.578589  0.211077  1
  Al  Al8  1  0.588359  0.137342  0.243903  1
  Al  Al9  1  0.588359  0.725872  0.218680  1
  Al  Al10  1  0.588359  0.280054  0.251599  1
  Al  Al11  1  0.588359  0.990894  0.233681  1
  Al  Al12  1  0.588359  0.546189  0.266161  1
  Al  Al13  1  0.088359  0.968809  0.289313  1
  Al  Al14  1  0.088359  0.525054  0.321124  1
  Al  Al15  1  0.088359  0.111465  0.296957  1
  Al  Al16  1  0.088359  0.667732  0.328493  1
  Al  Al17  1  0.088359  0.825362  0.282020  1
  Al  Al18  1  0.088359  0.381609  0.314093  1
  Al  Al19  1  0.588359  0.691726  0.273961  1
  Al  Al20  1  0.588359  0.247082  0.306031  1
  Al  Al21  1  0.588359  0.834757  0.281731  1
  Al  Al22  1  0.588359  0.391072  0.313364  1
  Al  Al23  1  0.588359  0.102094  0.297647  1
  Al  Al24  1  0.588359  0.658227  0.328922  1
  Al  Al25  1  0.088359  0.079325  0.352306  1
  Al  Al26  1  0.088359  0.635450  0.383997  1
  Al  Al27  1  0.088359  0.223010  0.359769  1
  Al  Al28  1  0.088359  0.778589  0.391413  1
  Al  Al29  1  0.088359  0.935788  0.344864  1
  Al  Al30  1  0.088359  0.492107  0.376561  1
  Al  Al31  1  0.588359  0.801897  0.336644  1
  Al  Al32  1  0.588359  0.358061  0.368377  1
  Al  Al33  1  0.588359  0.945260  0.344271  1
  Al  Al34  1  0.588359  0.501593  0.376037  1
  Al  Al35  1  0.588359  0.213549  0.360402  1
  Al  Al36  1  0.588359  0.769054  0.391958  1
  Al  Al37  1  0.088359  0.190326  0.414966  1
  Al  Al38  1  0.088359  0.746178  0.446783  1
  Al  Al39  1  0.088359  0.333840  0.422614  1
  Al  Al40  1  0.088359  0.889641  0.454186  1
  Al  Al41  1  0.088359  0.046711  0.407498  1
  Al  Al42  1  0.088359  0.602595  0.439322  1
  Al  Al43  1  0.588359  0.912656  0.399500  1
  Al  Al44  1  0.588359  0.468597  0.431157  1
  Al  Al45  1  0.588359  0.056205  0.406932  1
  Al  Al46  1  0.588359  0.612101  0.438758  1
  Al  Al47  1  0.588359  0.324397  0.423174  1
  Al  Al48  1  0.588359  0.880136  0.454731  1
  Al  Al49  1  0.088359  0.300741  0.477687  1
  Al  Al50  1  0.088359  0.857161  0.509513  1
  Al  Al51  1  0.088359  0.444343  0.485277  1
  Al  Al52  1  0.088359  0.000260  0.517000  1
  Al  Al53  1  0.088359  0.157295  0.470237  1
  Al  Al54  1  0.088359  0.713617  0.501994  1
  Al  Al55  1  0.588359  0.023738  0.462290  1
  Al  Al56  1  0.588359  0.579626  0.494016  1
  Al  Al57  1  0.588359  0.166835  0.469703  1
  Al  Al58  1  0.588359  0.723147  0.501459  1
  Al  Al59  1  0.588359  0.434949  0.485891  1
  Al  Al60  1  0.588359  0.990764  0.517534  1
  Al  Al61  1  0.088359  0.411160  0.540256  1
  Al  Al62  1  0.088359  0.967726  0.572286  1
  Al  Al63  1  0.088359  0.555123  0.547446  1
  Al  Al64  1  0.088359  0.110951  0.579506  1
  Al  Al65  1  0.088359  0.267908  0.533016  1
  Al  Al66  1  0.088359  0.823996  0.564930  1
  Al  Al67  1  0.588359  0.134644  0.525279  1
  Al  Al68  1  0.588359  0.691257  0.556898  1
  Al  Al69  1  0.588359  0.277496  0.532478  1
  Al  Al70  1  0.588359  0.833853  0.564317  1
  Al  Al71  1  0.588359  0.545850  0.548098  1
  Al  Al72  1  0.588359  0.101390  0.580037  1
  Al  Al73  1  0.088359  0.522813  0.602663  1
  Al  Al74  1  0.088359  0.078919  0.635850  1
  Al  Al75  1  0.088359  0.664378  0.609137  1
  Al  Al76  1  0.088359  0.223745  0.641227  1
  Al  Al77  1  0.088359  0.380512  0.594955  1
  Al  Al78  1  0.088359  0.931353  0.627949  1
  Al  Al79  1  0.588359  0.246374  0.588223  1
  Al  Al80  1  0.588359  0.804542  0.620831  1
  Al  Al81  1  0.588359  0.390401  0.594669  1
  Al  Al82  1  0.588359  0.947659  0.627661  1
  Al  Al83  1  0.588359  0.654797  0.609587  1
  Al  Al84  1  0.588359  0.212539  0.642333  1
  Ni  Ni85  1  0.588359  0.860400  0.225339  1
  Ni  Ni86  1  0.588359  0.412786  0.258857  1
  Ni  Ni87  1  0.339333  0.775502  0.250515  1
  Ni  Ni88  1  0.341215  0.221172  0.219139  1
  Ni  Ni89  1  0.340194  0.051750  0.265695  1
  Ni  Ni90  1  0.335692  0.494121  0.234272  1
  Ni  Ni91  1  0.331976  0.912633  0.258140  1
  Ni  Ni92  1  0.335294  0.358134  0.226265  1
  Ni  Ni93  1  0.844743  0.912633  0.258140  1
  Ni  Ni94  1  0.841424  0.358134  0.226265  1
  Ni  Ni95  1  0.088359  0.581885  0.211407  1
  Ni  Ni96  1  0.088359  0.138823  0.243946  1
  Ni  Ni97  1  0.836524  0.051750  0.265695  1
  Ni  Ni98  1  0.841026  0.494121  0.234272  1
  Ni  Ni99  1  0.837386  0.775502  0.250515  1
  Ni  Ni100  1  0.835503  0.221172  0.219139  1
  Ni  Ni101  1  0.828239  0.635037  0.243236  1
  Ni  Ni102  1  0.835950  0.085446  0.212061  1
  Ni  Ni103  1  0.348479  0.635037  0.243236  1
  Ni  Ni104  1  0.340768  0.085446  0.212061  1
  Ni  Ni105  1  0.588359  0.968500  0.289471  1
  Ni  Ni106  1  0.588359  0.525011  0.321092  1
  Ni  Ni107  1  0.337769  0.885454  0.313153  1
  Ni  Ni108  1  0.337625  0.330438  0.282767  1
  Ni  Ni109  1  0.338420  0.162459  0.328706  1
  Ni  Ni110  1  0.338191  0.607749  0.297066  1
  Ni  Ni111  1  0.330753  0.023705  0.320934  1
  Ni  Ni112  1  0.330497  0.468980  0.289901  1
  Ni  Ni113  1  0.845965  0.023705  0.320934  1
  Ni  Ni114  1  0.846221  0.468980  0.289901  1
  Ni  Ni115  1  0.088359  0.691739  0.273683  1
  Ni  Ni116  1  0.088359  0.247023  0.306093  1
  Ni  Ni117  1  0.838298  0.162459  0.328706  1
  Ni  Ni118  1  0.838527  0.607749  0.297066  1
  Ni  Ni119  1  0.838949  0.885454  0.313153  1
  Ni  Ni120  1  0.839093  0.330438  0.282767  1
  Ni  Ni121  1  0.831589  0.746524  0.305286  1
  Ni  Ni122  1  0.830582  0.191886  0.275045  1
  Ni  Ni123  1  0.345129  0.746524  0.305286  1
  Ni  Ni124  1  0.346136  0.191886  0.275045  1
  Ni  Ni125  1  0.588359  0.079250  0.352298  1
  Ni  Ni126  1  0.588359  0.635422  0.384026  1
  Ni  Ni127  1  0.338385  0.995971  0.375896  1
  Ni  Ni128  1  0.338583  0.441837  0.344923  1
  Ni  Ni129  1  0.338285  0.273865  0.391446  1
  Ni  Ni130  1  0.338569  0.718440  0.360198  1
  Ni  Ni131  1  0.330970  0.134853  0.383630  1
  Ni  Ni132  1  0.331215  0.580117  0.352608  1
  Ni  Ni133  1  0.845748  0.134853  0.383630  1
  Ni  Ni134  1  0.845503  0.580117  0.352608  1
  Ni  Ni135  1  0.088359  0.801882  0.336704  1
  Ni  Ni136  1  0.088359  0.358128  0.368356  1
  Ni  Ni137  1  0.838433  0.273865  0.391446  1
  Ni  Ni138  1  0.838149  0.718440  0.360198  1
  Ni  Ni139  1  0.838333  0.995971  0.375896  1
  Ni  Ni140  1  0.838135  0.441837  0.344923  1
  Ni  Ni141  1  0.830883  0.857135  0.368113  1
  Ni  Ni142  1  0.830706  0.302654  0.337136  1
  Ni  Ni143  1  0.345835  0.857135  0.368113  1
  Ni  Ni144  1  0.346013  0.302654  0.337136  1
  Ni  Ni145  1  0.588359  0.190310  0.414956  1
  Ni  Ni146  1  0.588359  0.746169  0.446786  1
  Ni  Ni147  1  0.338389  0.106886  0.438548  1
  Ni  Ni148  1  0.338261  0.552100  0.407658  1
  Ni  Ni149  1  0.338467  0.384409  0.454253  1
  Ni  Ni150  1  0.338364  0.829340  0.423085  1
  Ni  Ni151  1  0.331024  0.245466  0.446350  1
  Ni  Ni152  1  0.330981  0.690707  0.415431  1
  Ni  Ni153  1  0.845694  0.245466  0.446350  1
  Ni  Ni154  1  0.845738  0.690707  0.415431  1
  Ni  Ni155  1  0.088359  0.912658  0.399491  1
  Ni  Ni156  1  0.088359  0.468607  0.431182  1
  Ni  Ni157  1  0.838251  0.384409  0.454253  1
  Ni  Ni158  1  0.838354  0.829340  0.423085  1
  Ni  Ni159  1  0.838329  0.106886  0.438548  1
  Ni  Ni160  1  0.838457  0.552100  0.407658  1
  Ni  Ni161  1  0.831019  0.968216  0.430876  1
  Ni  Ni162  1  0.831030  0.413233  0.399774  1
  Ni  Ni163  1  0.345699  0.968216  0.430876  1
  Ni  Ni164  1  0.345688  0.413233  0.399774  1
  Ni  Ni165  1  0.588359  0.300706  0.477688  1
  Ni  Ni166  1  0.588359  0.857134  0.509524  1
  Ni  Ni167  1  0.338326  0.217403  0.501338  1
  Ni  Ni168  1  0.338336  0.662817  0.470387  1
  Ni  Ni169  1  0.338473  0.494838  0.516790  1
  Ni  Ni170  1  0.338386  0.940335  0.485832  1
  Ni  Ni171  1  0.331012  0.355884  0.509005  1
  Ni  Ni172  1  0.331021  0.801690  0.478135  1
  Ni  Ni173  1  0.845706  0.355884  0.509005  1
  Ni  Ni174  1  0.845697  0.801690  0.478135  1
  Ni  Ni175  1  0.088359  0.023750  0.462291  1
  Ni  Ni176  1  0.088359  0.579631  0.494061  1
  Ni  Ni177  1  0.838245  0.494838  0.516790  1
  Ni  Ni178  1  0.838332  0.940335  0.485832  1
  Ni  Ni179  1  0.838392  0.217403  0.501338  1
  Ni  Ni180  1  0.838382  0.662817  0.470387  1
  Ni  Ni181  1  0.831051  0.079066  0.493809  1
  Ni  Ni182  1  0.830950  0.523978  0.462631  1
  Ni  Ni183  1  0.345667  0.079066  0.493809  1
  Ni  Ni184  1  0.345768  0.523978  0.462631  1
  Ni  Ni185  1  0.588359  0.411204  0.540278  1
  Ni  Ni186  1  0.588359  0.967989  0.572430  1
  Ni  Ni187  1  0.338505  0.328238  0.564066  1
  Ni  Ni188  1  0.338108  0.773873  0.533113  1
  Ni  Ni189  1  0.338726  0.604982  0.578737  1
  Ni  Ni190  1  0.338421  0.050814  0.548568  1
  Ni  Ni191  1  0.330586  0.467539  0.571177  1
  Ni  Ni192  1  0.331085  0.912273  0.541000  1
  Ni  Ni193  1  0.846132  0.467539  0.571177  1
  Ni  Ni194  1  0.845633  0.912273  0.541000  1
  Ni  Ni195  1  0.088359  0.134656  0.525297  1
  Ni  Ni196  1  0.088359  0.691274  0.557092  1
  Ni  Ni197  1  0.837992  0.604982  0.578737  1
  Ni  Ni198  1  0.838297  0.050814  0.548568  1
  Ni  Ni199  1  0.838213  0.328238  0.564066  1
  Ni  Ni200  1  0.838610  0.773873  0.533113  1
  Ni  Ni201  1  0.831169  0.190304  0.556860  1
  Ni  Ni202  1  0.831004  0.635522  0.525485  1
  Ni  Ni203  1  0.345549  0.190304  0.556860  1
  Ni  Ni204  1  0.345714  0.635522  0.525485  1
  Ni  Ni205  1  0.588359  0.521313  0.602760  1
  Ni  Ni206  1  0.588359  0.078217  0.635915  1
  Ni  Ni207  1  0.335630  0.439276  0.627706  1
  Ni  Ni208  1  0.338742  0.884744  0.595742  1
  Ni  Ni209  1  0.341577  0.711452  0.641466  1
  Ni  Ni210  1  0.339285  0.161135  0.610656  1
  Ni  Ni211  1  0.334873  0.576925  0.634828  1
  Ni  Ni212  1  0.329208  0.023521  0.603549  1
  Ni  Ni213  1  0.841845  0.576925  0.634828  1
  Ni  Ni214  1  0.847510  0.023521  0.603549  1
  Ni  Ni215  1  0.088359  0.246321  0.588466  1
  Ni  Ni216  1  0.088359  0.800366  0.620201  1
  Ni  Ni217  1  0.835141  0.711452  0.641466  1
  Ni  Ni218  1  0.837433  0.161135  0.610656  1
  Ni  Ni219  1  0.841088  0.439276  0.627706  1
  Ni  Ni220  1  0.837976  0.884744  0.595742  1
  Ni  Ni221  1  0.829375  0.304803  0.619492  1
  Ni  Ni222  1  0.828863  0.746859  0.588679  1
  Ni  Ni223  1  0.347343  0.304803  0.619492  1
  Ni  Ni224  1  0.347855  0.746859  0.588679  1
