# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.17125206
_cell_length_b   8.13987793
_cell_length_c   48.68313050
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.08553677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al126 Ni210'
_cell_volume   8398.16053482
_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  0.612711  0.990978  0.295192  1
  Al  Al2  1  0.283782  0.726591  0.321881  1
  Al  Al3  1  0.934110  0.225616  0.274062  1
  Al  Al4  1  0.602088  0.670733  0.280580  1
  Al  Al5  1  0.278040  0.414827  0.306573  1
  Al  Al6  1  0.953158  0.149593  0.328346  1
  Al  Al7  1  0.614824  0.299728  0.316484  1
  Al  Al8  1  0.266467  0.824246  0.270047  1
  Al  Al9  1  0.938411  0.557819  0.290169  1
  Al  Al10  1  0.783624  0.725591  0.321752  1
  Al  Al11  1  0.432701  0.227813  0.272826  1
  Al  Al12  1  0.114022  0.993956  0.294430  1
  Al  Al13  1  0.782787  0.417659  0.302644  1
  Al  Al14  1  0.452305  0.148589  0.327926  1
  Al  Al15  1  0.101937  0.670371  0.280650  1
  Al  Al16  1  0.765859  0.826965  0.270246  1
  Al  Al17  1  0.440776  0.560669  0.290514  1
  Al  Al18  1  0.115591  0.300005  0.316470  1
  Al  Al19  1  0.632889  0.203132  0.365767  1
  Al  Al20  1  0.307386  0.943000  0.388148  1
  Al  Al21  1  0.958611  0.465976  0.343225  1
  Al  Al22  1  0.627258  0.888344  0.349443  1
  Al  Al23  1  0.302078  0.627137  0.372391  1
  Al  Al24  1  0.976559  0.366960  0.394518  1
  Al  Al25  1  0.638607  0.519221  0.380962  1
  Al  Al26  1  0.289386  0.040395  0.337576  1
  Al  Al27  1  0.964731  0.780415  0.359371  1
  Al  Al28  1  0.807308  0.942861  0.388121  1
  Al  Al29  1  0.458491  0.465375  0.343206  1
  Al  Al30  1  0.132756  0.202838  0.366129  1
  Al  Al31  1  0.801956  0.626781  0.372196  1
  Al  Al32  1  0.476723  0.367002  0.394491  1
  Al  Al33  1  0.127037  0.887631  0.349536  1
  Al  Al34  1  0.789357  0.040108  0.337806  1
  Al  Al35  1  0.464487  0.780100  0.359211  1
  Al  Al36  1  0.138193  0.519797  0.381378  1
  Al  Al37  1  0.656823  0.422420  0.432342  1
  Al  Al38  1  0.331489  0.162120  0.454721  1
  Al  Al39  1  0.982203  0.682698  0.410209  1
  Al  Al40  1  0.651165  0.106566  0.416698  1
  Al  Al41  1  0.325826  0.846082  0.439046  1
  Al  Al42  1  1.000145  0.585549  0.461316  1
  Al  Al43  1  0.662321  0.738355  0.448120  1
  Al  Al44  1  0.313227  0.259301  0.403717  1
  Al  Al45  1  0.987683  0.998625  0.425966  1
  Al  Al46  1  0.831243  0.162034  0.454676  1
  Al  Al47  1  0.482472  0.682891  0.410132  1
  Al  Al48  1  0.156668  0.422509  0.432556  1
  Al  Al49  1  0.825619  0.845939  0.439026  1
  Al  Al50  1  0.500501  0.585738  0.461238  1
  Al  Al51  1  0.151053  0.106449  0.416920  1
  Al  Al52  1  0.813094  0.259703  0.403380  1
  Al  Al53  1  0.487951  0.998807  0.425869  1
  Al  Al54  1  0.162263  0.738372  0.448226  1
  Al  Al55  1  0.680474  0.641206  0.499242  1
  Al  Al56  1  0.355223  0.380947  0.521488  1
  Al  Al57  1  0.005734  0.901505  0.477039  1
  Al  Al58  1  0.674910  0.325207  0.483529  1
  Al  Al59  1  0.349672  0.064972  0.505783  1
  Al  Al60  1  0.023905  0.804354  0.528067  1
  Al  Al61  1  0.686044  0.957215  0.514966  1
  Al  Al62  1  0.337073  0.478138  0.470421  1
  Al  Al63  1  0.011300  0.217511  0.492735  1
  Al  Al64  1  0.854872  0.380706  0.521560  1
  Al  Al65  1  0.506045  0.901703  0.476978  1
  Al  Al66  1  0.180516  0.641249  0.499222  1
  Al  Al67  1  0.849326  0.064729  0.505843  1
  Al  Al68  1  0.524139  0.804512  0.528112  1
  Al  Al69  1  0.174907  0.325283  0.483553  1
  Al  Al70  1  0.836792  0.477933  0.470415  1
  Al  Al71  1  0.511600  0.217711  0.492691  1
  Al  Al72  1  0.186132  0.957228  0.514900  1
  Al  Al73  1  0.704152  0.860079  0.566156  1
  Al  Al74  1  0.378592  0.599528  0.588339  1
  Al  Al75  1  0.029512  0.120376  0.543757  1
  Al  Al76  1  0.698643  0.544088  0.550370  1
  Al  Al77  1  0.373133  0.283637  0.572608  1
  Al  Al78  1  0.047945  0.023333  0.594652  1
  Al  Al79  1  0.709823  0.175816  0.581840  1
  Al  Al80  1  0.360811  0.696923  0.537206  1
  Al  Al81  1  0.035194  0.436425  0.559414  1
  Al  Al82  1  0.878312  0.599285  0.588372  1
  Al  Al83  1  0.529716  0.120394  0.543857  1
  Al  Al84  1  0.204380  0.860067  0.565900  1
  Al  Al85  1  0.872854  0.283422  0.572682  1
  Al  Al86  1  0.548071  0.022782  0.595111  1
  Al  Al87  1  0.198780  0.544159  0.550223  1
  Al  Al88  1  0.860414  0.696682  0.537282  1
  Al  Al89  1  0.535356  0.436522  0.559480  1
  Al  Al90  1  0.209995  0.176060  0.581567  1
  Al  Al91  1  0.728359  0.078231  0.633369  1
  Al  Al92  1  0.402339  0.816551  0.654970  1
  Al  Al93  1  0.053825  0.339603  0.610219  1
  Al  Al94  1  0.722398  0.763621  0.617531  1
  Al  Al95  1  0.395735  0.501132  0.639142  1
  Al  Al96  1  0.071795  0.241806  0.660658  1
  Al  Al97  1  0.733752  0.393810  0.649194  1
  Al  Al98  1  0.384098  0.915565  0.604065  1
  Al  Al99  1  0.059219  0.655859  0.625931  1
  Al  Al100  1  0.902567  0.817256  0.654982  1
  Al  Al101  1  0.553875  0.339732  0.610312  1
  Al  Al102  1  0.228454  0.078667  0.632962  1
  Al  Al103  1  0.896046  0.501600  0.639227  1
  Al  Al104  1  0.571826  0.242206  0.660529  1
  Al  Al105  1  0.222841  0.763157  0.617090  1
  Al  Al106  1  0.883967  0.915482  0.604046  1
  Al  Al107  1  0.559276  0.656160  0.626202  1
  Al  Al108  1  0.233913  0.394583  0.649087  1
  Al  Al109  1  0.748182  0.293781  0.703542  1
  Al  Al110  1  0.428327  0.059797  0.724021  1
  Al  Al111  1  0.076685  0.554793  0.676053  1
  Al  Al112  1  0.747464  0.977649  0.685098  1
  Al  Al113  1  0.423783  0.725940  0.708042  1
  Al  Al114  1  0.093709  0.456497  0.728368  1
  Al  Al115  1  0.758848  0.625344  0.717264  1
  Al  Al116  1  0.407904  0.133927  0.669905  1
  Al  Al117  1  0.081966  0.867408  0.691125  1
  Al  Al118  1  0.930321  0.057081  0.725324  1
  Al  Al119  1  0.576806  0.556051  0.676290  1
  Al  Al120  1  0.246455  0.290203  0.704462  1
  Al  Al121  1  0.921753  0.723207  0.707679  1
  Al  Al122  1  0.594354  0.453419  0.728097  1
  Al  Al123  1  0.246065  0.977039  0.685498  1
  Al  Al124  1  0.908896  0.134834  0.670288  1
  Al  Al125  1  0.577141  0.864259  0.695504  1
  Al  Al126  1  0.258772  0.625328  0.717183  1
  Ni  Ni127  1  0.771713  0.116588  0.290340  1
  Ni  Ni128  1  0.444344  0.855754  0.311010  1
  Ni  Ni129  1  0.098582  0.370626  0.270160  1
  Ni  Ni130  1  0.534354  0.725789  0.320718  1
  Ni  Ni131  1  0.189640  0.261829  0.278649  1
  Ni  Ni132  1  0.859715  0.987658  0.300085  1
  Ni  Ni133  1  0.521555  0.116903  0.289464  1
  Ni  Ni134  1  0.195851  0.853415  0.310206  1
  Ni  Ni135  1  0.872035  0.595140  0.332300  1
  Ni  Ni136  1  0.700957  0.160125  0.327094  1
  Ni  Ni137  1  0.351517  0.682289  0.284273  1
  Ni  Ni138  1  0.024490  0.418271  0.304755  1
  Ni  Ni139  1  0.512773  0.828305  0.274411  1
  Ni  Ni140  1  0.194059  0.555492  0.293817  1
  Ni  Ni141  1  0.868736  0.290364  0.315288  1
  Ni  Ni142  1  0.598177  0.371016  0.270069  1
  Ni  Ni143  1  0.271002  0.116581  0.289751  1
  Ni  Ni144  1  0.945841  0.858798  0.311587  1
  Ni  Ni145  1  0.686600  0.256940  0.279363  1
  Ni  Ni146  1  0.359516  0.986058  0.299300  1
  Ni  Ni147  1  0.034155  0.725374  0.320620  1
  Ni  Ni148  1  0.696170  0.854863  0.310192  1
  Ni  Ni149  1  0.342457  0.372880  0.269451  1
  Ni  Ni150  1  0.022226  0.116909  0.289664  1
  Ni  Ni151  1  0.524165  0.417491  0.304609  1
  Ni  Ni152  1  0.199985  0.157153  0.327434  1
  Ni  Ni153  1  0.854997  0.700504  0.284472  1
  Ni  Ni154  1  0.693614  0.554989  0.293841  1
  Ni  Ni155  1  0.368261  0.290445  0.315577  1
  Ni  Ni156  1  0.012684  0.827105  0.274832  1
  Ni  Ni157  1  0.796005  0.335249  0.353590  1
  Ni  Ni158  1  0.470667  0.073026  0.376761  1
  Ni  Ni159  1  0.120189  0.594208  0.331608  1
  Ni  Ni160  1  0.557836  0.943190  0.387787  1
  Ni  Ni161  1  0.208093  0.465502  0.343899  1
  Ni  Ni162  1  0.883086  0.204683  0.365642  1
  Ni  Ni163  1  0.544973  0.333329  0.354479  1
  Ni  Ni164  1  0.219924  0.073084  0.377024  1
  Ni  Ni165  1  0.894853  0.812826  0.399136  1
  Ni  Ni166  1  0.724226  0.376633  0.393387  1
  Ni  Ni167  1  0.374814  0.897360  0.349552  1
  Ni  Ni168  1  0.049719  0.637323  0.371204  1
  Ni  Ni169  1  0.542715  0.028202  0.336897  1
  Ni  Ni170  1  0.215662  0.770617  0.360045  1
  Ni  Ni171  1  0.891042  0.510206  0.382110  1
  Ni  Ni172  1  0.620438  0.594201  0.331517  1
  Ni  Ni173  1  0.295786  0.333688  0.354687  1
  Ni  Ni174  1  0.970668  0.073138  0.376882  1
  Ni  Ni175  1  0.709519  0.463808  0.342724  1
  Ni  Ni176  1  0.383224  0.204156  0.365808  1
  Ni  Ni177  1  0.057780  0.943132  0.387971  1
  Ni  Ni178  1  0.720083  0.073862  0.376770  1
  Ni  Ni179  1  0.371916  0.593359  0.332296  1
  Ni  Ni180  1  0.045415  0.333780  0.354591  1
  Ni  Ni181  1  0.549863  0.637277  0.371096  1
  Ni  Ni182  1  0.224117  0.376547  0.393836  1
  Ni  Ni183  1  0.874823  0.897378  0.349605  1
  Ni  Ni184  1  0.715765  0.769860  0.359854  1
  Ni  Ni185  1  0.391212  0.510138  0.382250  1
  Ni  Ni186  1  0.043638  0.028597  0.336993  1
  Ni  Ni187  1  0.819362  0.552604  0.421291  1
  Ni  Ni188  1  0.494173  0.292326  0.443574  1
  Ni  Ni189  1  0.144714  0.813005  0.399155  1
  Ni  Ni190  1  0.581417  0.162121  0.454707  1
  Ni  Ni191  1  0.232007  0.682656  0.410263  1
  Ni  Ni192  1  0.906598  0.422379  0.432430  1
  Ni  Ni193  1  0.569689  0.552723  0.421184  1
  Ni  Ni194  1  0.244082  0.292292  0.443661  1
  Ni  Ni195  1  0.918450  0.031700  0.465876  1
  Ni  Ni196  1  0.747797  0.595220  0.460417  1
  Ni  Ni197  1  0.398924  0.116131  0.415905  1
  Ni  Ni198  1  0.073195  0.855654  0.438257  1
  Ni  Ni199  1  0.565640  0.249661  0.404470  1
  Ni  Ni200  1  0.240101  0.989164  0.426866  1
  Ni  Ni201  1  0.914660  0.728596  0.449025  1
  Ni  Ni202  1  0.644877  0.812940  0.398945  1
  Ni  Ni203  1  0.319533  0.552723  0.421387  1
  Ni  Ni204  1  0.993845  0.292137  0.443658  1
  Ni  Ni205  1  0.731974  0.682492  0.410136  1
  Ni  Ni206  1  0.406902  0.422588  0.432450  1
  Ni  Ni207  1  0.081190  0.161999  0.454820  1
  Ni  Ni208  1  0.744023  0.292261  0.443515  1
  Ni  Ni209  1  0.395046  0.813023  0.399136  1
  Ni  Ni210  1  0.069350  0.552692  0.421390  1
  Ni  Ni211  1  0.573430  0.855826  0.438126  1
  Ni  Ni212  1  0.247965  0.595386  0.460457  1
  Ni  Ni213  1  0.898699  0.116126  0.415884  1
  Ni  Ni214  1  0.740049  0.989226  0.426758  1
  Ni  Ni215  1  0.414965  0.728801  0.448984  1
  Ni  Ni216  1  0.065452  0.249684  0.404678  1
  Ni  Ni217  1  0.843054  0.771316  0.488140  1
  Ni  Ni218  1  0.517875  0.511127  0.510382  1
  Ni  Ni219  1  0.168574  0.031814  0.465910  1
  Ni  Ni220  1  0.605117  0.380831  0.521510  1
  Ni  Ni221  1  0.256009  0.901703  0.476990  1
  Ni  Ni222  1  0.930277  0.641082  0.499292  1
  Ni  Ni223  1  0.593252  0.771465  0.488114  1
  Ni  Ni224  1  0.267930  0.511153  0.510331  1
  Ni  Ni225  1  0.942132  0.250564  0.532693  1
  Ni  Ni226  1  0.771469  0.814063  0.527283  1
  Ni  Ni227  1  0.422631  0.335068  0.482689  1
  Ni  Ni228  1  0.096980  0.074474  0.504971  1
  Ni  Ni229  1  0.589454  0.468346  0.471216  1
  Ni  Ni230  1  0.264051  0.208030  0.493506  1
  Ni  Ni231  1  0.938293  0.947385  0.515838  1
  Ni  Ni232  1  0.668603  0.031855  0.465838  1
  Ni  Ni233  1  0.343381  0.771553  0.488098  1
  Ni  Ni234  1  0.017596  0.510934  0.510398  1
  Ni  Ni235  1  0.755838  0.901600  0.476990  1
  Ni  Ni236  1  0.430654  0.641345  0.499235  1
  Ni  Ni237  1  0.105023  0.380816  0.521468  1
  Ni  Ni238  1  0.767687  0.510960  0.510392  1
  Ni  Ni239  1  0.418793  0.031892  0.465834  1
  Ni  Ni240  1  0.093087  0.771349  0.488143  1
  Ni  Ni241  1  0.597070  0.074550  0.505000  1
  Ni  Ni242  1  0.271796  0.814179  0.527156  1
  Ni  Ni243  1  0.922262  0.334815  0.482731  1
  Ni  Ni244  1  0.763880  0.207869  0.493517  1
  Ni  Ni245  1  0.438671  0.947657  0.515810  1
  Ni  Ni246  1  0.089198  0.468294  0.471314  1
  Ni  Ni247  1  0.866694  0.990088  0.554967  1
  Ni  Ni248  1  0.541684  0.729922  0.577197  1
  Ni  Ni249  1  0.192469  0.250708  0.532539  1
  Ni  Ni250  1  0.629117  0.600154  0.588333  1
  Ni  Ni251  1  0.279795  0.120437  0.543692  1
  Ni  Ni252  1  0.953991  0.859893  0.566051  1
  Ni  Ni253  1  0.617000  0.990176  0.554993  1
  Ni  Ni254  1  0.291575  0.729837  0.577100  1
  Ni  Ni255  1  0.965896  0.469377  0.599296  1
  Ni  Ni256  1  0.795033  0.032662  0.594195  1
  Ni  Ni257  1  0.446257  0.553852  0.549522  1
  Ni  Ni258  1  0.121034  0.293382  0.571567  1
  Ni  Ni259  1  0.613179  0.687234  0.538068  1
  Ni  Ni260  1  0.287757  0.426779  0.560259  1
  Ni  Ni261  1  0.961994  0.166299  0.582576  1
  Ni  Ni262  1  0.692356  0.250568  0.532654  1
  Ni  Ni263  1  0.367054  0.990320  0.554897  1
  Ni  Ni264  1  0.041562  0.729869  0.577044  1
  Ni  Ni265  1  0.779499  0.120241  0.543828  1
  Ni  Ni266  1  0.454290  0.860110  0.566126  1
  Ni  Ni267  1  0.129144  0.600056  0.588146  1
  Ni  Ni268  1  0.791189  0.729721  0.577317  1
  Ni  Ni269  1  0.442470  0.250755  0.532672  1
  Ni  Ni270  1  0.117018  0.990220  0.554790  1
  Ni  Ni271  1  0.621022  0.293216  0.571732  1
  Ni  Ni272  1  0.295232  0.032692  0.593987  1
  Ni  Ni273  1  0.945977  0.553663  0.549528  1
  Ni  Ni274  1  0.787446  0.426490  0.560402  1
  Ni  Ni275  1  0.462209  0.166296  0.582646  1
  Ni  Ni276  1  0.113080  0.687137  0.537984  1
  Ni  Ni277  1  0.889901  0.208918  0.621746  1
  Ni  Ni278  1  0.565232  0.947233  0.644849  1
  Ni  Ni279  1  0.216323  0.469657  0.599338  1
  Ni  Ni280  1  0.652140  0.819889  0.655980  1
  Ni  Ni281  1  0.302826  0.338703  0.610668  1
  Ni  Ni282  1  0.977820  0.078340  0.632479  1
  Ni  Ni283  1  0.641288  0.208502  0.621769  1
  Ni  Ni284  1  0.314843  0.949008  0.644461  1
  Ni  Ni285  1  0.988785  0.688438  0.665759  1
  Ni  Ni286  1  0.817742  0.253351  0.661954  1
  Ni  Ni287  1  0.469945  0.772036  0.616272  1
  Ni  Ni288  1  0.145524  0.512180  0.638347  1
  Ni  Ni289  1  0.637147  0.906379  0.605197  1
  Ni  Ni290  1  0.311056  0.645288  0.627299  1
  Ni  Ni291  1  0.985925  0.384915  0.648594  1
  Ni  Ni292  1  0.716103  0.469597  0.599589  1
  Ni  Ni293  1  0.389842  0.208766  0.621667  1
  Ni  Ni294  1  0.065392  0.949101  0.643484  1
  Ni  Ni295  1  0.802774  0.338592  0.610833  1
  Ni  Ni296  1  0.477965  0.077863  0.632695  1
  Ni  Ni297  1  0.153692  0.818199  0.654759  1
  Ni  Ni298  1  0.815493  0.949287  0.644482  1
  Ni  Ni299  1  0.466053  0.469529  0.599354  1
  Ni  Ni300  1  0.141500  0.209437  0.621443  1
  Ni  Ni301  1  0.645384  0.512862  0.638616  1
  Ni  Ni302  1  0.316517  0.252570  0.661963  1
  Ni  Ni303  1  0.969775  0.772137  0.616046  1
  Ni  Ni304  1  0.810971  0.645268  0.627390  1
  Ni  Ni305  1  0.485902  0.384946  0.648621  1
  Ni  Ni306  1  0.137311  0.906530  0.604673  1
  Ni  Ni307  1  0.916566  0.427377  0.687411  1
  Ni  Ni308  1  0.588752  0.165128  0.707989  1
  Ni  Ni309  1  0.240572  0.688217  0.666564  1
  Ni  Ni310  1  0.672468  0.025360  0.718947  1
  Ni  Ni311  1  0.326688  0.557838  0.677800  1
  Ni  Ni312  1  1.001317  0.297714  0.698761  1
  Ni  Ni313  1  0.664600  0.427447  0.688311  1
  Ni  Ni314  1  0.340228  0.169703  0.708642  1
  Ni  Ni315  1  0.020230  0.910012  0.728976  1
  Ni  Ni316  1  0.847976  0.459530  0.723725  1
  Ni  Ni317  1  0.491832  0.992737  0.682864  1
  Ni  Ni318  1  0.164064  0.724530  0.704306  1
  Ni  Ni319  1  0.660496  0.122228  0.671516  1
  Ni  Ni320  1  0.338397  0.867181  0.693733  1
  Ni  Ni321  1  0.010488  0.601184  0.713945  1
  Ni  Ni322  1  0.740372  0.687883  0.666630  1
  Ni  Ni323  1  0.414967  0.424102  0.686900  1
  Ni  Ni324  1  0.089432  0.166757  0.708450  1
  Ni  Ni325  1  0.826704  0.557748  0.677708  1
  Ni  Ni326  1  0.501200  0.295640  0.698028  1
  Ni  Ni327  1  0.167805  0.019531  0.719837  1
  Ni  Ni328  1  0.841230  0.169913  0.708826  1
  Ni  Ni329  1  0.488663  0.686832  0.665884  1
  Ni  Ni330  1  0.164961  0.429384  0.688238  1
  Ni  Ni331  1  0.665021  0.725254  0.704156  1
  Ni  Ni332  1  0.347914  0.460649  0.723306  1
  Ni  Ni333  1  0.992433  0.992429  0.682677  1
  Ni  Ni334  1  0.838948  0.868137  0.693975  1
  Ni  Ni335  1  0.506468  0.582106  0.713874  1
  Ni  Ni336  1  0.161558  0.125129  0.671175  1
