# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84948228
_cell_length_b   23.67147415
_cell_length_c   49.85056026
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.67009792
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al216 Ni72'
_cell_volume   9186.9789955
_cell_formula_units_Z   72
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  0.541074  0.999966  0.307540  1
  Al  Al2  1  0.402750  0.304692  0.327592  1
  Al  Al3  1  0.648325  0.658435  0.280206  1
  Al  Al4  1  0.815890  0.054505  0.282127  1
  Al  Al5  1  0.680568  0.383660  0.307477  1
  Al  Al6  1  0.552111  0.704099  0.332858  1
  Al  Al7  1  0.790853  0.935190  0.272942  1
  Al  Al8  1  0.738901  0.242364  0.296238  1
  Al  Al9  1  0.601370  0.573149  0.321640  1
  Al  Al10  1  0.692927  0.072835  0.335518  1
  Al  Al11  1  0.946294  0.422844  0.279188  1
  Al  Al12  1  0.814437  0.746931  0.304958  1
  Al  Al13  1  0.178222  0.042638  0.294935  1
  Al  Al14  1  0.073787  0.373594  0.325885  1
  Al  Al15  1  0.309530  0.727496  0.273225  1
  Al  Al16  1  0.410078  0.218190  0.284673  1
  Al  Al17  1  0.283965  0.546973  0.305685  1
  Al  Al18  1  0.167235  0.872512  0.332144  1
  Al  Al19  1  0.423679  0.909231  0.289079  1
  Al  Al20  1  0.123527  0.240717  0.315982  1
  Al  Al21  1  0.009879  0.564757  0.341334  1
  Al  Al22  1  0.457225  0.092341  0.273155  1
  Al  Al23  1  0.340217  0.415046  0.297788  1
  Al  Al24  1  0.211441  0.738632  0.325450  1
  Al  Al25  1  0.026529  0.229903  0.263974  1
  Al  Al26  1  0.893338  0.552793  0.289790  1
  Al  Al27  1  0.758566  0.880456  0.319277  1
  Al  Al28  1  0.934353  0.978978  0.324653  1
  Al  Al29  1  0.205996  0.323214  0.275613  1
  Al  Al30  1  0.065480  0.652733  0.295503  1
  Al  Al31  1  0.361463  0.133131  0.328560  1
  Al  Al32  1  0.605225  0.489040  0.281041  1
  Al  Al33  1  0.473240  0.802621  0.305900  1
  Al  Al34  1  0.941778  0.141687  0.315706  1
  Al  Al35  1  0.813059  0.469402  0.338446  1
  Al  Al36  1  0.037964  0.825018  0.287637  1
  Al  Al37  1  0.166613  0.952763  0.378005  1
  Al  Al38  1  0.034499  0.278610  0.405660  1
  Al  Al39  1  0.281680  0.628479  0.352817  1
  Al  Al40  1  0.426027  0.028533  0.358815  1
  Al  Al41  1  0.305290  0.354830  0.382576  1
  Al  Al42  1  0.181822  0.679095  0.408256  1
  Al  Al43  1  0.475149  0.897254  0.347877  1
  Al  Al44  1  0.357571  0.219880  0.371589  1
  Al  Al45  1  0.232694  0.544661  0.397442  1
  Al  Al46  1  0.325770  0.042433  0.409447  1
  Al  Al47  1  0.567026  0.393299  0.357334  1
  Al  Al48  1  0.445522  0.717931  0.383475  1
  Al  Al49  1  0.843621  0.023630  0.379806  1
  Al  Al50  1  0.702817  0.346294  0.403164  1
  Al  Al51  1  0.953152  0.699725  0.351861  1
  Al  Al52  1  0.040763  0.196268  0.363032  1
  Al  Al53  1  0.914139  0.519569  0.387916  1
  Al  Al54  1  0.792874  0.843729  0.414249  1
  Al  Al55  1  0.892636  0.889011  0.368156  1
  Al  Al56  1  0.754801  0.215008  0.393184  1
  Al  Al57  1  0.631037  0.538312  0.418697  1
  Al  Al58  1  0.096922  0.061108  0.350340  1
  Al  Al59  1  0.965237  0.385570  0.377093  1
  Al  Al60  1  0.843254  0.709716  0.403158  1
  Al  Al61  1  0.640462  0.199085  0.342407  1
  Al  Al62  1  0.519355  0.526219  0.368152  1
  Al  Al63  1  0.397757  0.849824  0.394220  1
  Al  Al64  1  0.581230  0.947593  0.397761  1
  Al  Al65  1  0.822670  0.298676  0.343818  1
  Al  Al66  1  0.701560  0.623635  0.370275  1
  Al  Al67  1  1.002804  0.111466  0.407647  1
  Al  Al68  1  0.239708  0.461459  0.355369  1
  Al  Al69  1  0.114205  0.786314  0.380907  1
  Al  Al70  1  0.575942  0.115378  0.391200  1
  Al  Al71  1  0.448697  0.440605  0.416555  1
  Al  Al72  1  0.692572  0.793153  0.364007  1
  Al  Al73  1  0.787703  0.926107  0.457196  1
  Al  Al74  1  0.664875  0.250969  0.482963  1
  Al  Al75  1  0.911368  0.601974  0.430898  1
  Al  Al76  1  0.062192  0.004217  0.434632  1
  Al  Al77  1  0.938998  0.328064  0.460070  1
  Al  Al78  1  0.814766  0.652246  0.485488  1
  Al  Al79  1  0.112985  0.868142  0.423750  1
  Al  Al80  1  0.991151  0.193502  0.449456  1
  Al  Al81  1  0.866322  0.517169  0.474843  1
  Al  Al82  1  0.956164  0.014849  0.486029  1
  Al  Al83  1  0.202491  0.366071  0.434275  1
  Al  Al84  1  0.079597  0.690080  0.459990  1
  Al  Al85  1  0.456910  0.995267  0.455349  1
  Al  Al86  1  0.334291  0.319682  0.480832  1
  Al  Al87  1  0.580911  0.670734  0.429180  1
  Al  Al88  1  0.670793  0.168726  0.440157  1
  Al  Al89  1  0.545757  0.492485  0.465648  1
  Al  Al90  1  0.422900  0.817052  0.491582  1
  Al  Al91  1  0.508577  0.862788  0.444771  1
  Al  Al92  1  0.385684  0.187097  0.470509  1
  Al  Al93  1  0.260299  0.510664  0.495810  1
  Al  Al94  1  0.722586  0.033395  0.430301  1
  Al  Al95  1  0.597544  0.357896  0.454897  1
  Al  Al96  1  0.473983  0.681907  0.480671  1
  Al  Al97  1  0.277981  0.174927  0.419093  1
  Al  Al98  1  0.150945  0.498885  0.444641  1
  Al  Al99  1  0.027766  0.823282  0.470665  1
  Al  Al100  1  0.209042  0.920929  0.472669  1
  Al  Al101  1  0.455475  0.272539  0.420683  1
  Al  Al102  1  0.331671  0.596396  0.446421  1
  Al  Al103  1  0.626917  0.084026  0.484222  1
  Al  Al104  1  0.870640  0.434859  0.432152  1
  Al  Al105  1  0.749355  0.759312  0.458067  1
  Al  Al106  1  0.205133  0.089398  0.468732  1
  Al  Al107  1  0.080312  0.413231  0.494150  1
  Al  Al108  1  0.327069  0.764791  0.442558  1
  Al  Al109  1  0.417077  0.899454  0.534367  1
  Al  Al110  1  0.295792  0.223907  0.560283  1
  Al  Al111  1  0.539515  0.574740  0.508213  1
  Al  Al112  1  0.692449  0.976859  0.511764  1
  Al  Al113  1  0.568888  0.300870  0.537537  1
  Al  Al114  1  0.443846  0.625371  0.562134  1
  Al  Al115  1  0.743532  0.841714  0.500853  1
  Al  Al116  1  0.620675  0.166281  0.526787  1
  Al  Al117  1  0.495639  0.490040  0.552278  1
  Al  Al118  1  0.585521  0.988032  0.563255  1
  Al  Al119  1  0.832142  0.339084  0.511602  1
  Al  Al120  1  0.709522  0.663499  0.537085  1
  Al  Al121  1  0.086835  0.968686  0.532445  1
  Al  Al122  1  0.963942  0.292695  0.558160  1
  Al  Al123  1  0.210269  0.643917  0.506406  1
  Al  Al124  1  0.300110  0.141597  0.517592  1
  Al  Al125  1  0.175281  0.465263  0.542978  1
  Al  Al126  1  0.053447  0.790624  0.568685  1
  Al  Al127  1  0.138666  0.835484  0.521770  1
  Al  Al128  1  0.015488  0.159881  0.547794  1
  Al  Al129  1  0.888452  0.483839  0.573342  1
  Al  Al130  1  0.351667  0.006520  0.506947  1
  Al  Al131  1  0.227434  0.330702  0.532365  1
  Al  Al132  1  0.104241  0.654548  0.557802  1
  Al  Al133  1  0.906133  0.148102  0.496625  1
  Al  Al134  1  0.780749  0.471668  0.521926  1
  Al  Al135  1  0.657855  0.795978  0.547664  1
  Al  Al136  1  0.839363  0.893975  0.549877  1
  Al  Al137  1  0.086120  0.245535  0.498285  1
  Al  Al138  1  0.961299  0.569368  0.523703  1
  Al  Al139  1  0.255064  0.056792  0.561536  1
  Al  Al140  1  0.501557  0.407797  0.509472  1
  Al  Al141  1  0.378730  0.732659  0.535238  1
  Al  Al142  1  0.834761  0.062370  0.546014  1
  Al  Al143  1  0.710957  0.386227  0.571752  1
  Al  Al144  1  0.957390  0.737837  0.519766  1
  Al  Al145  1  0.052227  0.872452  0.611528  1
  Al  Al146  1  0.926724  0.197306  0.637066  1
  Al  Al147  1  0.163628  0.547300  0.584788  1
  Al  Al148  1  0.323178  0.949050  0.589276  1
  Al  Al149  1  0.201195  0.273196  0.615342  1
  Al  Al150  1  0.069510  0.597658  0.642094  1
  Al  Al151  1  0.373558  0.815037  0.578185  1
  Al  Al152  1  0.252293  0.139197  0.604519  1
  Al  Al153  1  0.125669  0.462498  0.629403  1
  Al  Al154  1  0.213281  0.959041  0.640573  1
  Al  Al155  1  0.463615  0.312472  0.589271  1
  Al  Al156  1  0.322811  0.635136  0.612629  1
  Al  Al157  1  0.720911  0.940835  0.608960  1
  Al  Al158  1  0.599406  0.265466  0.635100  1
  Al  Al159  1  0.840662  0.616333  0.582988  1
  Al  Al160  1  0.933738  0.114105  0.594993  1
  Al  Al161  1  0.808861  0.438886  0.620846  1
  Al  Al162  1  0.691284  0.761512  0.644558  1
  Al  Al163  1  0.768675  0.808942  0.598215  1
  Al  Al164  1  0.647077  0.132547  0.624283  1
  Al  Al165  1  0.525970  0.459681  0.650027  1
  Al  Al166  1  0.984610  0.979671  0.584179  1
  Al  Al167  1  0.861142  0.303936  0.609859  1
  Al  Al168  1  0.740405  0.630233  0.633619  1
  Al  Al169  1  0.535395  0.120454  0.573737  1
  Al  Al170  1  0.411631  0.443758  0.599251  1
  Al  Al171  1  0.273796  0.769755  0.624279  1
  Al  Al172  1  0.473861  0.865613  0.628427  1
  Al  Al173  1  0.717735  0.218161  0.575879  1
  Al  Al174  1  0.590490  0.543388  0.601235  1
  Al  Al175  1  0.884753  0.030287  0.639618  1
  Al  Al176  1  0.131933  0.380156  0.586775  1
  Al  Al177  1  0.999819  0.706003  0.614429  1
  Al  Al178  1  0.464872  0.035130  0.622160  1
  Al  Al179  1  0.343762  0.360090  0.648617  1
  Al  Al180  1  0.585202  0.711173  0.594674  1
  Al  Al181  1  0.693192  0.856145  0.686534  1
  Al  Al182  1  0.561207  0.169726  0.711394  1
  Al  Al183  1  0.804970  0.525634  0.663875  1
  Al  Al184  1  0.954991  0.920134  0.666985  1
  Al  Al185  1  0.826215  0.243720  0.694647  1
  Al  Al186  1  0.709208  0.566425  0.719280  1
  Al  Al187  1  0.999198  0.786254  0.660291  1
  Al  Al188  1  0.882467  0.111793  0.686749  1
  Al  Al189  1  0.756355  0.440576  0.707762  1
  Al  Al190  1  0.856903  0.931270  0.719210  1
  Al  Al191  1  0.092645  0.285172  0.666550  1
  Al  Al192  1  0.988210  0.616128  0.697500  1
  Al  Al193  1  0.351996  0.911835  0.687477  1
  Al  Al194  1  0.220139  0.235922  0.713246  1
  Al  Al195  1  0.473505  0.585931  0.656917  1
  Al  Al196  1  0.565062  0.085617  0.670794  1
  Al  Al197  1  0.427532  0.416402  0.696197  1
  Al  Al198  1  0.375579  0.723576  0.719492  1
  Al  Al199  1  0.407866  0.778310  0.673158  1
  Al  Al200  1  0.273095  0.105973  0.702645  1
  Al  Al201  1  0.139903  0.428863  0.728461  1
  Al  Al202  1  0.614322  0.954667  0.659577  1
  Al  Al203  1  0.485864  0.275106  0.684958  1
  Al  Al204  1  0.350542  0.604261  0.710307  1
  Al  Al205  1  0.156554  0.094009  0.651101  1
  Al  Al206  1  0.042906  0.418049  0.676453  1
  Al  Al207  1  0.742753  0.749534  0.703356  1
  Al  Al208  1  0.128469  0.833748  0.704797  1
  Al  Al209  1  0.353374  0.189364  0.653989  1
  Al  Al210  1  0.224655  0.517079  0.676729  1
  Al  Al211  1  0.518108  1.000331  0.712229  1
  Al  Al212  1  0.763682  0.354073  0.664842  1
  Al  Al213  1  0.625358  0.658800  0.684895  1
  Al  Al214  1  0.100953  0.006033  0.696931  1
  Al  Al215  1  0.960436  0.335552  0.716822  1
  Al  Al216  1  0.232080  0.679788  0.667782  1
  Ni  Ni217  1  0.259390  0.969992  0.328779  1
  Ni  Ni218  1  0.521143  0.319443  0.281647  1
  Ni  Ni219  1  0.373565  0.646610  0.305778  1
  Ni  Ni220  1  0.099333  0.930433  0.288946  1
  Ni  Ni221  1  0.918132  0.317421  0.293327  1
  Ni  Ni222  1  0.811142  0.640487  0.321892  1
  Ni  Ni223  1  0.642680  0.145317  0.300070  1
  Ni  Ni224  1  0.501210  0.474061  0.326617  1
  Ni  Ni225  1  0.705153  0.834613  0.276844  1
  Ni  Ni226  1  0.189283  0.149349  0.287596  1
  Ni  Ni227  1  0.083399  0.476831  0.313703  1
  Ni  Ni228  1  0.960030  0.803258  0.337871  1
  Ni  Ni229  1  0.888414  0.942859  0.410145  1
  Ni  Ni230  1  0.128215  0.294663  0.358149  1
  Ni  Ni231  1  0.005958  0.619056  0.383338  1
  Ni  Ni232  1  0.684387  0.965730  0.350515  1
  Ni  Ni233  1  0.559896  0.289399  0.370473  1
  Ni  Ni234  1  0.436578  0.614393  0.396609  1
  Ni  Ni235  1  0.269456  0.120987  0.376520  1
  Ni  Ni236  1  0.142665  0.445347  0.402413  1
  Ni  Ni237  1  0.380751  0.797559  0.352455  1
  Ni  Ni238  1  0.846024  0.126636  0.365857  1
  Ni  Ni239  1  0.711930  0.449870  0.389460  1
  Ni  Ni240  1  0.590640  0.774192  0.415559  1
  Ni  Ni241  1  0.513837  0.916056  0.487303  1
  Ni  Ni242  1  0.760209  0.267586  0.435675  1
  Ni  Ni243  1  0.636593  0.591431  0.461116  1
  Ni  Ni244  1  0.312725  0.938624  0.422631  1
  Ni  Ni245  1  0.194644  0.262906  0.448283  1
  Ni  Ni246  1  0.069733  0.586959  0.473851  1
  Ni  Ni247  1  0.900212  0.094711  0.454330  1
  Ni  Ni248  1  0.775778  0.418372  0.479469  1
  Ni  Ni249  1  0.021857  0.769397  0.428290  1
  Ni  Ni250  1  0.468328  0.099042  0.441639  1
  Ni  Ni251  1  0.342421  0.422849  0.466740  1
  Ni  Ni252  1  0.219619  0.747222  0.492508  1
  Ni  Ni253  1  0.144576  0.889369  0.564145  1
  Ni  Ni254  1  0.390654  0.240393  0.512966  1
  Ni  Ni255  1  0.266220  0.564055  0.538104  1
  Ni  Ni256  1  0.946813  0.911544  0.499926  1
  Ni  Ni257  1  0.824011  0.235917  0.525695  1
  Ni  Ni258  1  0.698105  0.559724  0.550795  1
  Ni  Ni259  1  0.529840  0.067335  0.531319  1
  Ni  Ni260  1  0.406223  0.391180  0.556760  1
  Ni  Ni261  1  0.652595  0.742710  0.505132  1
  Ni  Ni262  1  0.096700  0.071807  0.518583  1
  Ni  Ni263  1  0.971788  0.395860  0.544152  1
  Ni  Ni264  1  0.853707  0.720142  0.569803  1
  Ni  Ni265  1  0.785681  0.861207  0.639980  1
  Ni  Ni266  1  0.023767  0.213419  0.590022  1
  Ni  Ni267  1  0.896976  0.537779  0.615914  1
  Ni  Ni268  1  0.575792  0.884573  0.576876  1
  Ni  Ni269  1  0.454502  0.208896  0.602975  1
  Ni  Ni270  1  0.320409  0.532130  0.626578  1
  Ni  Ni271  1  0.160474  0.039709  0.609097  1
  Ni  Ni272  1  0.038218  0.364103  0.634286  1
  Ni  Ni273  1  0.278019  0.715907  0.582290  1
  Ni  Ni274  1  0.729854  0.044373  0.595826  1
  Ni  Ni275  1  0.606536  0.369367  0.621962  1
  Ni  Ni276  1  0.482046  0.693036  0.641919  1
  Ni  Ni277  1  0.461279  0.824153  0.715591  1
  Ni  Ni278  1  0.665222  0.184705  0.665818  1
  Ni  Ni279  1  0.523753  0.513449  0.692364  1
  Ni  Ni280  1  0.206402  0.855508  0.654564  1
  Ni  Ni281  1  0.083034  0.181935  0.678731  1
  Ni  Ni282  1  0.977150  0.509417  0.704838  1
  Ni  Ni283  1  0.792867  0.012156  0.686657  1
  Ni  Ni284  1  0.645290  0.339323  0.710788  1
  Ni  Ni285  1  0.907043  0.688774  0.663655  1
  Ni  Ni286  1  0.355290  0.018279  0.670543  1
  Ni  Ni287  1  0.248300  0.341345  0.699108  1
  Ni  Ni288  1  0.067099  0.728333  0.703489  1
