# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.06085993
_cell_length_b   8.42246110
_cell_length_c   50.20836316
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.40887662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al126 Ni210'
_cell_volume   8001.20038979
_cell_formula_units_Z   42
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  0.824189  0.271134  0.321543  1
  Al  Al2  1  0.467997  0.785238  0.273133  1
  Al  Al3  1  0.153012  0.535164  0.294572  1
  Al  Al4  1  0.815211  0.946493  0.308446  1
  Al  Al5  1  0.491489  0.682832  0.329176  1
  Al  Al6  1  0.135318  0.200949  0.283541  1
  Al  Al7  1  0.791495  0.370285  0.270745  1
  Al  Al8  1  0.473595  0.102549  0.293107  1
  Al  Al9  1  0.152221  0.849516  0.314394  1
  Al  Al10  1  0.653012  0.535164  0.294572  1
  Al  Al11  1  0.324189  0.271134  0.321543  1
  Al  Al12  1  0.967997  0.785238  0.273133  1
  Al  Al13  1  0.635318  0.200949  0.283541  1
  Al  Al14  1  0.315211  0.946493  0.308446  1
  Al  Al15  1  0.991489  0.682832  0.329176  1
  Al  Al16  1  0.652221  0.849516  0.314394  1
  Al  Al17  1  0.291495  0.370285  0.270745  1
  Al  Al18  1  0.973595  0.102549  0.293107  1
  Al  Al19  1  0.852870  0.492561  0.388473  1
  Al  Al20  1  0.499460  0.010983  0.344041  1
  Al  Al21  1  0.175528  0.750443  0.365952  1
  Al  Al22  1  0.846068  0.167728  0.373282  1
  Al  Al23  1  0.524213  0.910521  0.395333  1
  Al  Al24  1  0.168465  0.426389  0.350910  1
  Al  Al25  1  0.829474  0.591403  0.336869  1
  Al  Al26  1  0.507933  0.334326  0.358984  1
  Al  Al27  1  0.183609  0.074436  0.381268  1
  Al  Al28  1  0.675528  0.750443  0.365952  1
  Al  Al29  1  0.352870  0.492561  0.388473  1
  Al  Al30  1  0.999460  0.010983  0.344041  1
  Al  Al31  1  0.668465  0.426389  0.350910  1
  Al  Al32  1  0.346068  0.167728  0.373282  1
  Al  Al33  1  0.024213  0.910521  0.395333  1
  Al  Al34  1  0.683609  0.074436  0.381268  1
  Al  Al35  1  0.329474  0.591403  0.336869  1
  Al  Al36  1  0.007933  0.334326  0.358984  1
  Al  Al37  1  0.886294  0.718793  0.454882  1
  Al  Al38  1  0.531403  0.234991  0.410521  1
  Al  Al39  1  0.208549  0.976466  0.432859  1
  Al  Al40  1  0.878759  0.394734  0.439773  1
  Al  Al41  1  0.556003  0.136631  0.462048  1
  Al  Al42  1  0.201302  0.652703  0.417720  1
  Al  Al43  1  0.861045  0.816284  0.403432  1
  Al  Al44  1  0.538717  0.558586  0.425607  1
  Al  Al45  1  0.215872  0.300533  0.448015  1
  Al  Al46  1  0.708549  0.976466  0.432859  1
  Al  Al47  1  0.386294  0.718793  0.454882  1
  Al  Al48  1  0.031403  0.234991  0.410521  1
  Al  Al49  1  0.701302  0.652703  0.417720  1
  Al  Al50  1  0.378759  0.394734  0.439773  1
  Al  Al51  1  0.056003  0.136631  0.462048  1
  Al  Al52  1  0.715872  0.300533  0.448015  1
  Al  Al53  1  0.361045  0.816284  0.403432  1
  Al  Al54  1  0.038717  0.558586  0.425607  1
  Al  Al55  1  0.918181  0.945009  0.521614  1
  Al  Al56  1  0.563313  0.460580  0.477208  1
  Al  Al57  1  0.240754  0.202793  0.499407  1
  Al  Al58  1  0.910942  0.620819  0.506422  1
  Al  Al59  1  0.588050  0.362634  0.528734  1
  Al  Al60  1  0.233428  0.878651  0.484273  1
  Al  Al61  1  0.893414  0.042831  0.470077  1
  Al  Al62  1  0.570527  0.784716  0.492399  1
  Al  Al63  1  0.248033  0.526949  0.514558  1
  Al  Al64  1  0.740754  0.202793  0.499407  1
  Al  Al65  1  0.418181  0.945009  0.521614  1
  Al  Al66  1  0.063313  0.460580  0.477208  1
  Al  Al67  1  0.733428  0.878651  0.484273  1
  Al  Al68  1  0.410942  0.620819  0.506422  1
  Al  Al69  1  0.088050  0.362634  0.528734  1
  Al  Al70  1  0.748033  0.526949  0.514558  1
  Al  Al71  1  0.393414  0.042831  0.470077  1
  Al  Al72  1  0.070527  0.784716  0.492399  1
  Al  Al73  1  0.949885  0.170411  0.588375  1
  Al  Al74  1  0.595213  0.686833  0.543927  1
  Al  Al75  1  0.272852  0.429141  0.565975  1
  Al  Al76  1  0.942656  0.847059  0.573232  1
  Al  Al77  1  0.620345  0.589403  0.595465  1
  Al  Al78  1  0.265568  0.104973  0.550790  1
  Al  Al79  1  0.925437  0.268995  0.536815  1
  Al  Al80  1  0.602791  0.010948  0.559047  1
  Al  Al81  1  0.280287  0.752702  0.581022  1
  Al  Al82  1  0.772852  0.429141  0.565975  1
  Al  Al83  1  0.449885  0.170411  0.588375  1
  Al  Al84  1  0.095213  0.686833  0.543927  1
  Al  Al85  1  0.765568  0.104973  0.550790  1
  Al  Al86  1  0.442656  0.847059  0.573232  1
  Al  Al87  1  0.120345  0.589403  0.595465  1
  Al  Al88  1  0.780287  0.752702  0.581022  1
  Al  Al89  1  0.425437  0.268995  0.536815  1
  Al  Al90  1  0.102791  0.010948  0.559047  1
  Al  Al91  1  0.980950  0.394263  0.654886  1
  Al  Al92  1  0.628431  0.912881  0.610359  1
  Al  Al93  1  0.305516  0.654582  0.632864  1
  Al  Al94  1  0.973983  0.071489  0.639821  1
  Al  Al95  1  0.653165  0.813498  0.661226  1
  Al  Al96  1  0.297811  0.332048  0.617795  1
  Al  Al97  1  0.957296  0.494575  0.603324  1
  Al  Al98  1  0.635025  0.237435  0.625537  1
  Al  Al99  1  0.312906  0.979428  0.648309  1
  Al  Al100  1  0.805516  0.654582  0.632864  1
  Al  Al101  1  0.480950  0.394263  0.654886  1
  Al  Al102  1  0.128431  0.912881  0.610359  1
  Al  Al103  1  0.797811  0.332048  0.617795  1
  Al  Al104  1  0.473983  0.071489  0.639821  1
  Al  Al105  1  0.153165  0.813498  0.661226  1
  Al  Al106  1  0.812906  0.979428  0.648309  1
  Al  Al107  1  0.457296  0.494575  0.603324  1
  Al  Al108  1  0.135025  0.237435  0.625537  1
  Al  Al109  1  0.024963  0.638108  0.724315  1
  Al  Al110  1  0.658525  0.138751  0.676595  1
  Al  Al111  1  0.331732  0.880397  0.702463  1
  Al  Al112  1  0.010261  0.307729  0.706427  1
  Al  Al113  1  0.690182  0.032754  0.728329  1
  Al  Al114  1  0.330322  0.552527  0.683352  1
  Al  Al115  1  0.989088  0.722821  0.670090  1
  Al  Al116  1  0.664133  0.459226  0.692645  1
  Al  Al117  1  0.345593  0.207347  0.715063  1
  Al  Al118  1  0.831732  0.880397  0.702463  1
  Al  Al119  1  0.524963  0.638108  0.724315  1
  Al  Al120  1  0.158525  0.138751  0.676595  1
  Al  Al121  1  0.830322  0.552527  0.683352  1
  Al  Al122  1  0.510261  0.307729  0.706427  1
  Al  Al123  1  0.190182  0.032754  0.728329  1
  Al  Al124  1  0.845593  0.207347  0.715063  1
  Al  Al125  1  0.489088  0.722821  0.670090  1
  Al  Al126  1  0.164133  0.459226  0.692645  1
  Ni  Ni127  1  0.621516  0.911782  0.267778  1
  Ni  Ni128  1  0.303820  0.653749  0.289512  1
  Ni  Ni129  1  0.979550  0.390406  0.312225  1
  Ni  Ni130  1  0.574180  0.272668  0.320765  1
  Ni  Ni131  1  0.225705  0.810143  0.275720  1
  Ni  Ni132  1  0.897727  0.529783  0.298446  1
  Ni  Ni133  1  0.551289  0.645691  0.288943  1
  Ni  Ni134  1  0.230764  0.391517  0.311830  1
  Ni  Ni135  1  0.870468  0.918848  0.267362  1
  Ni  Ni136  1  0.553982  0.950247  0.306295  1
  Ni  Ni137  1  0.232670  0.695324  0.327810  1
  Ni  Ni138  1  0.879841  0.218881  0.282225  1
  Ni  Ni139  1  0.734097  0.097274  0.293150  1
  Ni  Ni140  1  0.411046  0.834835  0.314977  1
  Ni  Ni141  1  0.046345  0.357445  0.272448  1
  Ni  Ni142  1  0.803820  0.653749  0.289512  1
  Ni  Ni143  1  0.479550  0.390406  0.312225  1
  Ni  Ni144  1  0.121516  0.911782  0.267778  1
  Ni  Ni145  1  0.725705  0.810143  0.275720  1
  Ni  Ni146  1  0.397727  0.529783  0.298446  1
  Ni  Ni147  1  0.074180  0.272668  0.320765  1
  Ni  Ni148  1  0.730764  0.391517  0.311830  1
  Ni  Ni149  1  0.370468  0.918848  0.267362  1
  Ni  Ni150  1  0.051289  0.645691  0.288943  1
  Ni  Ni151  1  0.732670  0.695324  0.327810  1
  Ni  Ni152  1  0.379841  0.218881  0.282225  1
  Ni  Ni153  1  0.053982  0.950247  0.306295  1
  Ni  Ni154  1  0.546345  0.357445  0.272448  1
  Ni  Ni155  1  0.234097  0.097274  0.293150  1
  Ni  Ni156  1  0.911046  0.834835  0.314977  1
  Ni  Ni157  1  0.658949  0.134426  0.332858  1
  Ni  Ni158  1  0.337781  0.877643  0.355282  1
  Ni  Ni159  1  0.016779  0.621388  0.377000  1
  Ni  Ni160  1  0.604740  0.492835  0.388338  1
  Ni  Ni161  1  0.248876  0.010192  0.344053  1
  Ni  Ni162  1  0.927183  0.750596  0.366168  1
  Ni  Ni163  1  0.587497  0.878709  0.354826  1
  Ni  Ni164  1  0.264118  0.620952  0.377188  1
  Ni  Ni165  1  0.910181  0.135859  0.333572  1
  Ni  Ni166  1  0.588983  0.180729  0.372205  1
  Ni  Ni167  1  0.265633  0.921712  0.394384  1
  Ni  Ni168  1  0.910959  0.438766  0.350651  1
  Ni  Ni169  1  0.764039  0.320398  0.359903  1
  Ni  Ni170  1  0.441822  0.063180  0.382355  1
  Ni  Ni171  1  0.089345  0.577868  0.336109  1
  Ni  Ni172  1  0.837781  0.877643  0.355282  1
  Ni  Ni173  1  0.516779  0.621388  0.377000  1
  Ni  Ni174  1  0.158949  0.134426  0.332858  1
  Ni  Ni175  1  0.748876  0.010192  0.344053  1
  Ni  Ni176  1  0.427183  0.750596  0.366168  1
  Ni  Ni177  1  0.104740  0.492835  0.388338  1
  Ni  Ni178  1  0.764118  0.620952  0.377188  1
  Ni  Ni179  1  0.410181  0.135859  0.333572  1
  Ni  Ni180  1  0.087497  0.878709  0.354826  1
  Ni  Ni181  1  0.765633  0.921712  0.394384  1
  Ni  Ni182  1  0.410959  0.438766  0.350651  1
  Ni  Ni183  1  0.088983  0.180729  0.372205  1
  Ni  Ni184  1  0.589345  0.577868  0.336109  1
  Ni  Ni185  1  0.264039  0.320398  0.359903  1
  Ni  Ni186  1  0.941822  0.063180  0.382355  1
  Ni  Ni187  1  0.692888  0.363204  0.399538  1
  Ni  Ni188  1  0.369941  0.105646  0.421611  1
  Ni  Ni189  1  0.047243  0.847607  0.443840  1
  Ni  Ni190  1  0.635781  0.718543  0.455040  1
  Ni  Ni191  1  0.281034  0.234024  0.410638  1
  Ni  Ni192  1  0.958700  0.976735  0.432679  1
  Ni  Ni193  1  0.619961  0.105606  0.421689  1
  Ni  Ni194  1  0.297405  0.847661  0.443884  1
  Ni  Ni195  1  0.942614  0.364034  0.399317  1
  Ni  Ni196  1  0.620907  0.406475  0.438828  1
  Ni  Ni197  1  0.298327  0.148640  0.461017  1
  Ni  Ni198  1  0.943706  0.664289  0.416395  1
  Ni  Ni199  1  0.796208  0.546821  0.426857  1
  Ni  Ni200  1  0.473800  0.288878  0.448890  1
  Ni  Ni201  1  0.119190  0.804893  0.404542  1
  Ni  Ni202  1  0.869941  0.105646  0.421611  1
  Ni  Ni203  1  0.547243  0.847607  0.443840  1
  Ni  Ni204  1  0.192888  0.363204  0.399538  1
  Ni  Ni205  1  0.781034  0.234024  0.410638  1
  Ni  Ni206  1  0.458700  0.976735  0.432679  1
  Ni  Ni207  1  0.135781  0.718543  0.455040  1
  Ni  Ni208  1  0.797405  0.847661  0.443884  1
  Ni  Ni209  1  0.442614  0.364034  0.399317  1
  Ni  Ni210  1  0.119961  0.105606  0.421689  1
  Ni  Ni211  1  0.798327  0.148640  0.461017  1
  Ni  Ni212  1  0.443706  0.664289  0.416395  1
  Ni  Ni213  1  0.120907  0.406475  0.438828  1
  Ni  Ni214  1  0.619190  0.804893  0.404542  1
  Ni  Ni215  1  0.296208  0.546821  0.426857  1
  Ni  Ni216  1  0.973800  0.288878  0.448890  1
  Ni  Ni217  1  0.724534  0.589677  0.466163  1
  Ni  Ni218  1  0.402169  0.331935  0.488260  1
  Ni  Ni219  1  0.079245  0.073618  0.510577  1
  Ni  Ni220  1  0.668001  0.944672  0.521636  1
  Ni  Ni221  1  0.313462  0.460928  0.477179  1
  Ni  Ni222  1  0.990698  0.202788  0.499420  1
  Ni  Ni223  1  0.651903  0.331567  0.488362  1
  Ni  Ni224  1  0.329598  0.073990  0.510463  1
  Ni  Ni225  1  0.974839  0.589712  0.466025  1
  Ni  Ni226  1  0.652815  0.632633  0.505504  1
  Ni  Ni227  1  0.330449  0.374910  0.527613  1
  Ni  Ni228  1  0.975613  0.890664  0.483212  1
  Ni  Ni229  1  0.828656  0.772920  0.493313  1
  Ni  Ni230  1  0.505859  0.514864  0.515612  1
  Ni  Ni231  1  0.150983  0.030657  0.471220  1
  Ni  Ni232  1  0.902169  0.331935  0.488260  1
  Ni  Ni233  1  0.579245  0.073618  0.510577  1
  Ni  Ni234  1  0.224534  0.589677  0.466163  1
  Ni  Ni235  1  0.813462  0.460928  0.477179  1
  Ni  Ni236  1  0.490698  0.202788  0.499420  1
  Ni  Ni237  1  0.168001  0.944672  0.521636  1
  Ni  Ni238  1  0.829598  0.073990  0.510463  1
  Ni  Ni239  1  0.474839  0.589712  0.466025  1
  Ni  Ni240  1  0.151903  0.331567  0.488362  1
  Ni  Ni241  1  0.830449  0.374910  0.527613  1
  Ni  Ni242  1  0.475613  0.890664  0.483212  1
  Ni  Ni243  1  0.152815  0.632633  0.505504  1
  Ni  Ni244  1  0.650983  0.030657  0.471220  1
  Ni  Ni245  1  0.328656  0.772920  0.493313  1
  Ni  Ni246  1  0.005859  0.514864  0.515612  1
  Ni  Ni247  1  0.756913  0.815841  0.532657  1
  Ni  Ni248  1  0.434217  0.557855  0.554973  1
  Ni  Ni249  1  0.111579  0.299957  0.577221  1
  Ni  Ni250  1  0.700581  0.171668  0.588221  1
  Ni  Ni251  1  0.345743  0.687013  0.543760  1
  Ni  Ni252  1  0.022892  0.428741  0.566128  1
  Ni  Ni253  1  0.683956  0.557862  0.554953  1
  Ni  Ni254  1  0.361277  0.299953  0.577171  1
  Ni  Ni255  1  0.006612  0.815849  0.532811  1
  Ni  Ni256  1  0.685306  0.858775  0.571984  1
  Ni  Ni257  1  0.362288  0.600657  0.594282  1
  Ni  Ni258  1  0.007623  0.116709  0.549971  1
  Ni  Ni259  1  0.860575  0.999156  0.559989  1
  Ni  Ni260  1  0.537782  0.741327  0.582370  1
  Ni  Ni261  1  0.183163  0.256956  0.537799  1
  Ni  Ni262  1  0.934217  0.557855  0.554973  1
  Ni  Ni263  1  0.611579  0.299957  0.577221  1
  Ni  Ni264  1  0.256913  0.815841  0.532657  1
  Ni  Ni265  1  0.845743  0.687013  0.543760  1
  Ni  Ni266  1  0.522892  0.428741  0.566128  1
  Ni  Ni267  1  0.200581  0.171668  0.588221  1
  Ni  Ni268  1  0.861277  0.299953  0.577171  1
  Ni  Ni269  1  0.506612  0.815849  0.532811  1
  Ni  Ni270  1  0.183956  0.557862  0.554953  1
  Ni  Ni271  1  0.862288  0.600657  0.594282  1
  Ni  Ni272  1  0.507623  0.116709  0.549971  1
  Ni  Ni273  1  0.185306  0.858775  0.571984  1
  Ni  Ni274  1  0.683163  0.256956  0.537799  1
  Ni  Ni275  1  0.360575  0.999156  0.559989  1
  Ni  Ni276  1  0.037782  0.741327  0.582370  1
  Ni  Ni277  1  0.788856  0.042675  0.599275  1
  Ni  Ni278  1  0.465052  0.784648  0.621696  1
  Ni  Ni279  1  0.143897  0.527034  0.643590  1
  Ni  Ni280  1  0.731428  0.396264  0.655118  1
  Ni  Ni281  1  0.376464  0.912437  0.610635  1
  Ni  Ni282  1  0.053621  0.654272  0.632675  1
  Ni  Ni283  1  0.717949  0.784711  0.621436  1
  Ni  Ni284  1  0.394729  0.526897  0.643660  1
  Ni  Ni285  1  0.038898  0.041737  0.599447  1
  Ni  Ni286  1  0.717937  0.085732  0.638673  1
  Ni  Ni287  1  0.392602  0.827762  0.662177  1
  Ni  Ni288  1  0.039559  0.342495  0.616566  1
  Ni  Ni289  1  0.892182  0.224275  0.626699  1
  Ni  Ni290  1  0.570265  0.966354  0.648285  1
  Ni  Ni291  1  0.215667  0.483513  0.604440  1
  Ni  Ni292  1  0.965052  0.784648  0.621696  1
  Ni  Ni293  1  0.643897  0.527034  0.643590  1
  Ni  Ni294  1  0.288856  0.042675  0.599275  1
  Ni  Ni295  1  0.876464  0.912437  0.610635  1
  Ni  Ni296  1  0.553621  0.654272  0.632675  1
  Ni  Ni297  1  0.231428  0.396264  0.655118  1
  Ni  Ni298  1  0.894729  0.526897  0.643660  1
  Ni  Ni299  1  0.538898  0.041737  0.599447  1
  Ni  Ni300  1  0.217949  0.784711  0.621436  1
  Ni  Ni301  1  0.892602  0.827762  0.662177  1
  Ni  Ni302  1  0.539559  0.342495  0.616566  1
  Ni  Ni303  1  0.217937  0.085732  0.638673  1
  Ni  Ni304  1  0.715667  0.483513  0.604440  1
  Ni  Ni305  1  0.392182  0.224275  0.626699  1
  Ni  Ni306  1  0.070265  0.966354  0.648285  1
  Ni  Ni307  1  0.822351  0.269688  0.666236  1
  Ni  Ni308  1  0.500163  0.008021  0.687124  1
  Ni  Ni309  1  0.175092  0.740696  0.710630  1
  Ni  Ni310  1  0.767687  0.607663  0.721293  1
  Ni  Ni311  1  0.410012  0.137148  0.677993  1
  Ni  Ni312  1  0.089340  0.882856  0.698484  1
  Ni  Ni313  1  0.747410  0.009162  0.687247  1
  Ni  Ni314  1  0.423738  0.746619  0.711211  1
  Ni  Ni315  1  0.070573  0.268920  0.665671  1
  Ni  Ni316  1  0.746563  0.308849  0.705674  1
  Ni  Ni317  1  0.435938  0.048251  0.726341  1
  Ni  Ni318  1  0.070705  0.572100  0.682333  1
  Ni  Ni319  1  0.928084  0.457782  0.693958  1
  Ni  Ni320  1  0.601162  0.181186  0.716298  1
  Ni  Ni321  1  0.248210  0.707852  0.671347  1
  Ni  Ni322  1  1.000163  0.008021  0.687124  1
  Ni  Ni323  1  0.675092  0.740696  0.710630  1
  Ni  Ni324  1  0.322351  0.269688  0.666236  1
  Ni  Ni325  1  0.910012  0.137148  0.677993  1
  Ni  Ni326  1  0.589340  0.882856  0.698484  1
  Ni  Ni327  1  0.267687  0.607663  0.721293  1
  Ni  Ni328  1  0.923738  0.746619  0.711211  1
  Ni  Ni329  1  0.570573  0.268920  0.665671  1
  Ni  Ni330  1  0.247410  0.009162  0.687247  1
  Ni  Ni331  1  0.935938  0.048251  0.726341  1
  Ni  Ni332  1  0.570705  0.572100  0.682333  1
  Ni  Ni333  1  0.246563  0.308849  0.705674  1
  Ni  Ni334  1  0.748210  0.707852  0.671347  1
  Ni  Ni335  1  0.428084  0.457782  0.693958  1
  Ni  Ni336  1  0.101162  0.181186  0.716298  1
