# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.76936882
_cell_length_b   10.27454811
_cell_length_c   48.73196212
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.10929129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al108 Ni180'
_cell_volume   7460.61921419
_cell_formula_units_Z   36
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  0.579142  0.303225  0.272954  1
  Al  Al2  1  0.136389  0.065627  0.322055  1
  Al  Al3  1  0.582345  0.029461  0.273551  1
  Al  Al4  1  0.084799  0.538842  0.275896  1
  Al  Al5  1  0.639306  0.824041  0.324316  1
  Al  Al6  1  0.135596  0.322099  0.321271  1
  Al  Al7  1  0.861769  0.179107  0.293250  1
  Al  Al8  1  0.367240  0.681553  0.292835  1
  Al  Al9  1  0.863528  0.920047  0.296860  1
  Al  Al10  1  0.365631  0.422078  0.296671  1
  Al  Al11  1  0.860650  0.438876  0.293167  1
  Al  Al12  1  0.364691  0.941247  0.292745  1
  Al  Al13  1  0.638197  0.567609  0.323427  1
  Al  Al14  1  0.200309  0.347596  0.372622  1
  Al  Al15  1  0.642050  0.312121  0.325866  1
  Al  Al16  1  0.139899  0.810828  0.323970  1
  Al  Al17  1  0.699795  0.104186  0.371334  1
  Al  Al18  1  0.199812  0.604007  0.371344  1
  Al  Al19  1  0.919015  0.457183  0.348257  1
  Al  Al20  1  0.419462  0.958085  0.347765  1
  Al  Al21  1  0.921031  0.201357  0.349495  1
  Al  Al22  1  0.421225  0.701263  0.349459  1
  Al  Al23  1  0.918147  0.712915  0.347626  1
  Al  Al24  1  0.418126  0.212427  0.347370  1
  Al  Al25  1  0.700973  0.847949  0.373561  1
  Al  Al26  1  0.260290  0.626363  0.423075  1
  Al  Al27  1  0.702112  0.590939  0.374730  1
  Al  Al28  1  0.201725  0.090638  0.374085  1
  Al  Al29  1  0.758473  0.382301  0.421883  1
  Al  Al30  1  0.258272  0.882198  0.421584  1
  Al  Al31  1  0.980500  0.736836  0.398408  1
  Al  Al32  1  0.479706  0.236217  0.398529  1
  Al  Al33  1  0.982041  0.480475  0.399797  1
  Al  Al34  1  0.481328  0.980461  0.399913  1
  Al  Al35  1  0.978529  0.992875  0.396613  1
  Al  Al36  1  0.477614  0.492203  0.397005  1
  Al  Al37  1  0.760322  0.126283  0.423109  1
  Al  Al38  1  0.319886  0.905408  0.473360  1
  Al  Al39  1  0.761922  0.870305  0.424755  1
  Al  Al40  1  0.261731  0.370151  0.424607  1
  Al  Al41  1  0.818500  0.661843  0.471882  1
  Al  Al42  1  0.318118  0.161629  0.471911  1
  Al  Al43  1  0.040458  0.016099  0.448128  1
  Al  Al44  1  0.540002  0.515797  0.448388  1
  Al  Al45  1  0.042178  0.759873  0.449667  1
  Al  Al46  1  0.541804  0.259594  0.449796  1
  Al  Al47  1  0.038717  0.272309  0.446709  1
  Al  Al48  1  0.538304  0.772154  0.446930  1
  Al  Al49  1  0.820246  0.405559  0.473321  1
  Al  Al50  1  0.380002  0.184872  0.523383  1
  Al  Al51  1  0.821999  0.149400  0.474720  1
  Al  Al52  1  0.321654  0.649262  0.474825  1
  Al  Al53  1  0.878594  0.941170  0.521879  1
  Al  Al54  1  0.378249  0.441031  0.521984  1
  Al  Al55  1  0.100124  0.295216  0.498352  1
  Al  Al56  1  0.600124  0.795216  0.498352  1
  Al  Al57  1  0.101820  0.039018  0.499799  1
  Al  Al58  1  0.601832  0.538978  0.499831  1
  Al  Al59  1  0.098428  0.551413  0.496905  1
  Al  Al60  1  0.598416  0.051453  0.496874  1
  Al  Al61  1  0.880362  0.685024  0.523345  1
  Al  Al62  1  0.439925  0.464149  0.573596  1
  Al  Al63  1  0.882130  0.428802  0.524794  1
  Al  Al64  1  0.381748  0.928589  0.524823  1
  Al  Al65  1  0.938517  0.220281  0.572098  1
  Al  Al66  1  0.438326  0.720126  0.571950  1
  Al  Al67  1  0.159790  0.574333  0.548576  1
  Al  Al68  1  0.660246  0.074634  0.548317  1
  Al  Al69  1  0.161531  0.318122  0.549996  1
  Al  Al70  1  0.661944  0.818277  0.549775  1
  Al  Al71  1  0.158070  0.830558  0.547037  1
  Al  Al72  1  0.658444  0.330837  0.546908  1
  Al  Al73  1  0.939958  0.964069  0.573630  1
  Al  Al74  1  0.499274  0.742483  0.623144  1
  Al  Al75  1  0.941976  0.708234  0.575120  1
  Al  Al76  1  0.441774  0.208131  0.574821  1
  Al  Al77  1  0.998523  0.499794  0.622619  1
  Al  Al78  1  0.498136  0.999492  0.621974  1
  Al  Al79  1  0.219748  0.853596  0.598297  1
  Al  Al80  1  0.720542  0.354215  0.598175  1
  Al  Al81  1  0.221719  0.597557  0.600091  1
  Al  Al82  1  0.722634  0.098228  0.599699  1
  Al  Al83  1  0.218207  0.109956  0.596908  1
  Al  Al84  1  0.718920  0.609970  0.596791  1
  Al  Al85  1  0.999939  0.242836  0.624083  1
  Al  Al86  1  0.562051  0.022822  0.673277  1
  Al  Al87  1  1.000436  0.986424  0.625360  1
  Al  Al88  1  0.500453  0.486246  0.625370  1
  Al  Al89  1  0.060349  0.779603  0.672734  1
  Al  Al90  1  0.558198  0.278311  0.670839  1
  Al  Al91  1  0.281233  0.133248  0.648448  1
  Al  Al92  1  0.780786  0.632347  0.648939  1
  Al  Al93  1  0.282100  0.877516  0.649079  1
  Al  Al94  1  0.782122  0.378005  0.649334  1
  Al  Al95  1  0.279217  0.389075  0.647210  1
  Al  Al96  1  0.779023  0.889168  0.647245  1
  Al  Al97  1  0.063859  0.524805  0.674649  1
  Al  Al98  1  0.621106  0.287207  0.723751  1
  Al  Al99  1  0.064652  0.268333  0.675433  1
  Al  Al100  1  0.560942  0.766390  0.672388  1
  Al  Al101  1  0.115449  0.051589  0.720809  1
  Al  Al102  1  0.617903  0.560971  0.723154  1
  Al  Al103  1  0.338479  0.411324  0.703455  1
  Al  Al104  1  0.833008  0.908879  0.703870  1
  Al  Al105  1  0.339598  0.151556  0.703537  1
  Al  Al106  1  0.835557  0.649185  0.703959  1
  Al  Al107  1  0.336720  0.670385  0.699844  1
  Al  Al108  1  0.834617  0.168353  0.700033  1
  Ni  Ni109  1  0.859042  0.678074  0.299965  1
  Ni  Ni110  1  0.361561  0.179713  0.299427  1
  Ni  Ni111  1  0.503681  0.125844  0.310753  1
  Ni  Ni112  1  1.000135  0.623722  0.311377  1
  Ni  Ni113  1  0.500906  0.621320  0.311731  1
  Ni  Ni114  1  0.998180  0.121705  0.311462  1
  Ni  Ni115  1  0.717431  0.484529  0.288778  1
  Ni  Ni116  1  0.219484  0.981989  0.288311  1
  Ni  Ni117  1  0.503844  0.374417  0.311571  1
  Ni  Ni118  1  1.002342  0.870369  0.310857  1
  Ni  Ni119  1  0.583451  0.785528  0.278002  1
  Ni  Ni120  1  0.140200  0.568407  0.324195  1
  Ni  Ni121  1  0.719086  0.730887  0.288371  1
  Ni  Ni122  1  0.222412  0.233097  0.288074  1
  Ni  Ni123  1  0.715774  0.232039  0.287987  1
  Ni  Ni124  1  0.221822  0.733538  0.288343  1
  Ni  Ni125  1  0.499224  0.873697  0.311923  1
  Ni  Ni126  1  0.996360  0.372332  0.311661  1
  Ni  Ni127  1  0.720902  0.981649  0.287934  1
  Ni  Ni128  1  0.224038  0.486834  0.288068  1
  Ni  Ni129  1  0.919576  0.956491  0.347686  1
  Ni  Ni130  1  0.418598  0.455646  0.348020  1
  Ni  Ni131  1  0.559498  0.402077  0.361294  1
  Ni  Ni132  1  0.059711  0.902086  0.360594  1
  Ni  Ni133  1  0.559051  0.902578  0.361330  1
  Ni  Ni134  1  0.059407  0.401943  0.360727  1
  Ni  Ni135  1  0.778948  0.763283  0.336112  1
  Ni  Ni136  1  0.278125  0.262311  0.335627  1
  Ni  Ni137  1  0.561570  0.652727  0.361113  1
  Ni  Ni138  1  0.062011  0.152911  0.360257  1
  Ni  Ni139  1  0.639995  0.067308  0.323758  1
  Ni  Ni140  1  0.200404  0.846581  0.372452  1
  Ni  Ni141  1  0.783478  0.014479  0.334668  1
  Ni  Ni142  1  0.282878  0.513882  0.334528  1
  Ni  Ni143  1  0.781051  0.511636  0.335757  1
  Ni  Ni144  1  0.280635  0.011342  0.335181  1
  Ni  Ni145  1  0.557013  0.150271  0.361297  1
  Ni  Ni146  1  0.057258  0.650729  0.361100  1
  Ni  Ni147  1  0.785681  0.263949  0.333854  1
  Ni  Ni148  1  0.285927  0.763962  0.333954  1
  Ni  Ni149  1  0.980311  0.236673  0.398214  1
  Ni  Ni150  1  0.479548  0.736429  0.398516  1
  Ni  Ni151  1  0.620019  0.681384  0.410912  1
  Ni  Ni152  1  0.120501  0.181736  0.410445  1
  Ni  Ni153  1  0.620253  0.181210  0.410698  1
  Ni  Ni154  1  0.120613  0.681549  0.410496  1
  Ni  Ni155  1  0.838164  0.040972  0.385800  1
  Ni  Ni156  1  0.337523  0.540565  0.385766  1
  Ni  Ni157  1  0.622607  0.933016  0.410525  1
  Ni  Ni158  1  0.123129  0.432833  0.410191  1
  Ni  Ni159  1  0.701036  0.347057  0.373316  1
  Ni  Ni160  1  0.259908  0.126110  0.423153  1
  Ni  Ni161  1  0.840420  0.292072  0.385601  1
  Ni  Ni162  1  0.340291  0.792377  0.385403  1
  Ni  Ni163  1  0.840381  0.792253  0.385891  1
  Ni  Ni164  1  0.339533  0.291458  0.385711  1
  Ni  Ni165  1  0.617608  0.430203  0.411166  1
  Ni  Ni166  1  0.118028  0.930588  0.410751  1
  Ni  Ni167  1  0.842827  0.543094  0.385693  1
  Ni  Ni168  1  0.342248  0.042578  0.385341  1
  Ni  Ni169  1  0.040464  0.516116  0.448220  1
  Ni  Ni170  1  0.540039  0.015954  0.448348  1
  Ni  Ni171  1  0.680194  0.960878  0.460792  1
  Ni  Ni172  1  0.180210  0.460856  0.460741  1
  Ni  Ni173  1  0.680159  0.460714  0.460853  1
  Ni  Ni174  1  0.180181  0.960701  0.460732  1
  Ni  Ni175  1  0.897621  0.319854  0.436056  1
  Ni  Ni176  1  0.397200  0.819767  0.436149  1
  Ni  Ni177  1  0.682811  0.211830  0.460466  1
  Ni  Ni178  1  0.182832  0.711830  0.460441  1
  Ni  Ni179  1  0.760111  0.626334  0.423358  1
  Ni  Ni180  1  0.319885  0.405440  0.473391  1
  Ni  Ni181  1  0.900231  0.571143  0.435859  1
  Ni  Ni182  1  0.399647  0.070853  0.435893  1
  Ni  Ni183  1  0.900314  0.071141  0.435706  1
  Ni  Ni184  1  0.399808  0.570915  0.435887  1
  Ni  Ni185  1  0.677562  0.709597  0.461146  1
  Ni  Ni186  1  0.177540  0.209666  0.461029  1
  Ni  Ni187  1  0.902844  0.822461  0.435525  1
  Ni  Ni188  1  0.402321  0.322104  0.435613  1
  Ni  Ni189  1  0.100124  0.795216  0.498352  1
  Ni  Ni190  1  0.600124  0.295216  0.498352  1
  Ni  Ni191  1  0.740252  0.240121  0.510811  1
  Ni  Ni192  1  0.239916  0.739899  0.510925  1
  Ni  Ni193  1  0.740258  0.740095  0.510843  1
  Ni  Ni194  1  0.239924  0.239979  0.510936  1
  Ni  Ni195  1  0.957729  0.599347  0.486099  1
  Ni  Ni196  1  0.457387  0.099126  0.486163  1
  Ni  Ni197  1  0.742861  0.491306  0.510542  1
  Ni  Ni198  1  0.242519  0.991085  0.510606  1
  Ni  Ni199  1  0.820232  0.905650  0.473298  1
  Ni  Ni200  1  0.380016  0.684782  0.523406  1
  Ni  Ni201  1  0.960332  0.850532  0.485780  1
  Ni  Ni202  1  0.459996  0.350310  0.485894  1
  Ni  Ni203  1  0.960324  0.350452  0.485768  1
  Ni  Ni204  1  0.459990  0.850337  0.485861  1
  Ni  Ni205  1  0.737674  0.988928  0.511110  1
  Ni  Ni206  1  0.237336  0.488830  0.511254  1
  Ni  Ni207  1  0.962912  0.101602  0.485451  1
  Ni  Ni208  1  0.462574  0.601503  0.485594  1
  Ni  Ni209  1  0.159784  0.074316  0.548484  1
  Ni  Ni210  1  0.660209  0.574478  0.548356  1
  Ni  Ni211  1  0.800601  0.519578  0.560811  1
  Ni  Ni212  1  0.300017  0.019288  0.560846  1
  Ni  Ni213  1  0.800440  0.019516  0.560817  1
  Ni  Ni214  1  0.299934  0.519291  0.560999  1
  Ni  Ni215  1  0.017416  0.878602  0.536264  1
  Ni  Ni216  1  0.517437  0.378602  0.536239  1
  Ni  Ni217  1  0.803048  0.770665  0.560555  1
  Ni  Ni218  1  0.302627  0.270577  0.560649  1
  Ni  Ni219  1  0.880363  0.184991  0.523313  1
  Ni  Ni220  1  0.440137  0.964098  0.573347  1
  Ni  Ni221  1  0.020038  0.129576  0.535963  1
  Ni  Ni222  1  0.520054  0.629554  0.535913  1
  Ni  Ni223  1  0.020067  0.629730  0.535972  1
  Ni  Ni224  1  0.520089  0.129718  0.535852  1
  Ni  Ni225  1  0.797927  0.268327  0.561091  1
  Ni  Ni226  1  0.297403  0.767971  0.561180  1
  Ni  Ni227  1  0.022708  0.380765  0.535675  1
  Ni  Ni228  1  0.522686  0.880834  0.535558  1
  Ni  Ni229  1  0.219936  0.353759  0.598490  1
  Ni  Ni230  1  0.720700  0.854003  0.598189  1
  Ni  Ni231  1  0.859957  0.798055  0.611302  1
  Ni  Ni232  1  0.359828  0.298360  0.611103  1
  Ni  Ni233  1  0.860715  0.298973  0.610993  1
  Ni  Ni234  1  0.359867  0.798179  0.610814  1
  Ni  Ni235  1  0.077119  0.157599  0.586514  1
  Ni  Ni236  1  0.577641  0.657416  0.586180  1
  Ni  Ni237  1  0.862725  0.049866  0.610939  1
  Ni  Ni238  1  0.362084  0.549460  0.610904  1
  Ni  Ni239  1  0.940340  0.464322  0.573551  1
  Ni  Ni240  1  0.499212  0.243374  0.623389  1
  Ni  Ni241  1  0.079747  0.408696  0.586259  1
  Ni  Ni242  1  0.580229  0.909048  0.585792  1
  Ni  Ni243  1  0.079635  0.908882  0.586208  1
  Ni  Ni244  1  0.579995  0.409222  0.586007  1
  Ni  Ni245  1  0.858000  0.547853  0.611363  1
  Ni  Ni246  1  0.357421  0.047338  0.611012  1
  Ni  Ni247  1  0.082220  0.659844  0.585954  1
  Ni  Ni248  1  0.582640  0.160229  0.585538  1
  Ni  Ni249  1  0.280672  0.633940  0.649018  1
  Ni  Ni250  1  0.781650  0.134786  0.648684  1
  Ni  Ni251  1  0.917370  0.076550  0.662176  1
  Ni  Ni252  1  0.416769  0.575953  0.662037  1
  Ni  Ni253  1  0.919613  0.579090  0.661524  1
  Ni  Ni254  1  0.419197  0.078796  0.660948  1
  Ni  Ni255  1  0.138237  0.437521  0.636448  1
  Ni  Ni256  1  0.638677  0.937705  0.635591  1
  Ni  Ni257  1  0.922123  0.328121  0.661078  1
  Ni  Ni258  1  0.421299  0.827148  0.660593  1
  Ni  Ni259  1  0.999844  0.743850  0.624253  1
  Ni  Ni260  1  0.560253  0.523124  0.672946  1
  Ni  Ni261  1  0.140537  0.688346  0.636110  1
  Ni  Ni262  1  0.640749  0.188355  0.635411  1
  Ni  Ni263  1  0.140841  0.188488  0.635978  1
  Ni  Ni264  1  0.641197  0.687853  0.635375  1
  Ni  Ni265  1  0.914321  0.826469  0.662751  1
  Ni  Ni266  1  0.414567  0.326483  0.662851  1
  Ni  Ni267  1  0.142990  0.939702  0.635604  1
  Ni  Ni268  1  0.643235  0.440161  0.635408  1
  Ni  Ni269  1  0.341206  0.912357  0.696740  1
  Ni  Ni270  1  0.838687  0.410719  0.697277  1
  Ni  Ni271  1  0.977836  0.357334  0.708630  1
  Ni  Ni272  1  0.481162  0.859545  0.708334  1
  Ni  Ni273  1  0.978426  0.856894  0.708362  1
  Ni  Ni274  1  0.484473  0.358392  0.708717  1
  Ni  Ni275  1  0.197905  0.720063  0.685848  1
  Ni  Ni276  1  0.696404  0.216015  0.685134  1
  Ni  Ni277  1  0.980764  0.608443  0.708394  1
  Ni  Ni278  1  0.482817  0.105902  0.707926  1
  Ni  Ni279  1  0.060047  0.022024  0.672510  1
  Ni  Ni280  1  0.616797  0.804903  0.718702  1
  Ni  Ni281  1  0.200113  0.966710  0.685327  1
  Ni  Ni282  1  0.696567  0.464588  0.685952  1
  Ni  Ni283  1  0.202068  0.468726  0.685242  1
  Ni  Ni284  1  0.699342  0.969111  0.684973  1
  Ni  Ni285  1  0.976210  0.103598  0.708636  1
  Ni  Ni286  1  0.479346  0.608783  0.708771  1
  Ni  Ni287  1  0.203888  0.218100  0.685044  1
  Ni  Ni288  1  0.701024  0.716734  0.684782  1
