# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45377145
_cell_length_b   24.56168938
_cell_length_c   48.92473827
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7755.33080565
_cell_formula_units_Z   60
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  0.007097  0.462635  0.353472  1
  Al  Al2  1  0.016168  0.819312  0.325568  1
  Al  Al3  1  0.017427  0.172596  0.296497  1
  Al  Al4  1  0.132128  0.561591  0.315656  1
  Al  Al5  1  0.219444  0.918014  0.287137  1
  Al  Al6  1  0.186370  0.197239  0.348011  1
  Al  Al7  1  0.227473  0.455699  0.301218  1
  Al  Al8  1  0.189662  0.723988  0.353844  1
  Al  Al9  1  0.183269  0.087582  0.331320  1
  Al  Al10  1  0.342566  0.625444  0.283744  1
  Al  Al11  1  0.318896  0.906001  0.339536  1
  Al  Al12  1  0.328255  0.263258  0.306619  1
  Al  Al13  1  0.773467  0.589692  0.287157  1
  Al  Al14  1  0.682114  0.856524  0.356010  1
  Al  Al15  1  0.674860  0.216176  0.325281  1
  Al  Al16  1  0.883686  0.758340  0.282946  1
  Al  Al17  1  0.831756  0.036154  0.340883  1
  Al  Al18  1  0.876558  0.393628  0.313357  1
  Al  Al19  1  0.688010  0.381473  0.363560  1
  Al  Al20  1  0.676575  0.746783  0.331771  1
  Al  Al21  1  0.682680  0.100838  0.301313  1
  Al  Al22  1  0.796627  0.564245  0.343613  1
  Al  Al23  1  0.867090  0.923197  0.319032  1
  Al  Al24  1  0.858522  0.284806  0.288595  1
  Al  Al25  1  0.317618  0.740516  0.300401  1
  Al  Al26  1  0.284826  0.066820  0.284143  1
  Al  Al27  1  0.311490  0.370325  0.335801  1
  Al  Al28  1  0.575508  0.456961  0.329835  1
  Al  Al29  1  0.560090  0.844751  0.300077  1
  Al  Al30  1  0.521309  0.123781  0.356905  1
  Al  Al31  1  0.988092  0.667778  0.314150  1
  Al  Al32  1  0.911921  0.008063  0.284629  1
  Al  Al33  1  0.996440  0.299441  0.341069  1
  Al  Al34  1  0.487171  0.638512  0.336097  1
  Al  Al35  1  0.524987  0.987807  0.309160  1
  Al  Al36  1  0.524706  0.370085  0.286529  1
  Al  Al37  1  0.015866  0.382942  0.446071  1
  Al  Al38  1  0.021009  0.739586  0.414420  1
  Al  Al39  1  0.016019  0.101508  0.385194  1
  Al  Al40  1  0.188166  0.482105  0.408395  1
  Al  Al41  1  0.185111  0.837973  0.378992  1
  Al  Al42  1  0.186206  0.120276  0.440264  1
  Al  Al43  1  0.173485  0.364747  0.385832  1
  Al  Al44  1  0.182193  0.648064  0.445164  1
  Al  Al45  1  0.182532  0.006985  0.415348  1
  Al  Al46  1  0.343943  0.541689  0.361811  1
  Al  Al47  1  0.326584  0.827033  0.430556  1
  Al  Al48  1  0.325754  0.186075  0.400212  1
  Al  Al49  1  0.673512  0.497334  0.386347  1
  Al  Al50  1  0.685055  0.780528  0.447151  1
  Al  Al51  1  0.680445  0.139782  0.417134  1
  Al  Al52  1  0.817111  0.677055  0.369173  1
  Al  Al53  1  0.826438  0.960287  0.432325  1
  Al  Al54  1  0.825283  0.318945  0.402538  1
  Al  Al55  1  0.681978  0.308827  0.453839  1
  Al  Al56  1  0.688550  0.666685  0.421949  1
  Al  Al57  1  0.688762  0.026428  0.392359  1
  Al  Al58  1  0.825798  0.488322  0.438527  1
  Al  Al59  1  0.826621  0.846438  0.407494  1
  Al  Al60  1  0.820261  0.206885  0.376818  1
  Al  Al61  1  0.328471  0.657815  0.393245  1
  Al  Al62  1  0.338617  0.015652  0.363681  1
  Al  Al63  1  0.321775  0.299522  0.425093  1
  Al  Al64  1  0.516162  0.405499  0.417768  1
  Al  Al65  1  0.518504  0.764473  0.386375  1
  Al  Al66  1  0.518786  0.046567  0.448023  1
  Al  Al67  1  0.989466  0.583473  0.400824  1
  Al  Al68  1  1.000823  0.945001  0.371428  1
  Al  Al69  1  0.988064  0.225383  0.432886  1
  Al  Al70  1  0.493713  0.562390  0.430409  1
  Al  Al71  1  0.490985  0.920002  0.399726  1
  Al  Al72  1  0.485314  0.278387  0.368800  1
  Al  Al73  1  0.016957  0.306381  0.537398  1
  Al  Al74  1  0.017933  0.664628  0.506638  1
  Al  Al75  1  0.018333  0.023551  0.476120  1
  Al  Al76  1  0.183417  0.403342  0.501583  1
  Al  Al77  1  0.184775  0.761017  0.470166  1
  Al  Al78  1  0.183698  0.044014  0.531690  1
  Al  Al79  1  0.180744  0.289601  0.476769  1
  Al  Al80  1  0.181117  0.572232  0.537816  1
  Al  Al81  1  0.183090  0.930385  0.506942  1
  Al  Al82  1  0.323450  0.469012  0.461196  1
  Al  Al83  1  0.328645  0.750930  0.521948  1
  Al  Al84  1  0.325696  0.109992  0.491950  1
  Al  Al85  1  0.679650  0.422511  0.478598  1
  Al  Al86  1  0.684844  0.704429  0.539350  1
  Al  Al87  1  0.682598  0.063448  0.508595  1
  Al  Al88  1  0.827177  0.601208  0.462730  1
  Al  Al89  1  0.827551  0.883839  0.523777  1
  Al  Al90  1  0.825205  0.243056  0.493603  1
  Al  Al91  1  0.682721  0.232549  0.545302  1
  Al  Al92  1  0.685261  0.590961  0.514787  1
  Al  Al93  1  0.684269  0.949620  0.483949  1
  Al  Al94  1  0.823520  0.412424  0.530380  1
  Al  Al95  1  0.824878  0.770099  0.498963  1
  Al  Al96  1  0.824597  0.129427  0.468856  1
  Al  Al97  1  0.323034  0.582480  0.485758  1
  Al  Al98  1  0.325574  0.940891  0.455243  1
  Al  Al99  1  0.324026  0.223820  0.516597  1
  Al  Al100  1  0.516397  0.329590  0.509402  1
  Al  Al101  1  0.518546  0.687191  0.478086  1
  Al  Al102  1  0.518192  0.970376  0.539526  1
  Al  Al103  1  0.990362  0.508812  0.493908  1
  Al  Al104  1  0.991338  0.867059  0.463148  1
  Al  Al105  1  0.989962  0.149890  0.524426  1
  Al  Al106  1  0.489749  0.486250  0.522459  1
  Al  Al107  1  0.491898  0.843851  0.491143  1
  Al  Al108  1  0.490103  0.203065  0.461019  1
  Al  Al109  1  0.007472  0.228439  0.629117  1
  Al  Al110  1  0.018829  0.589967  0.599721  1
  Al  Al111  1  0.020230  0.948058  0.567659  1
  Al  Al112  1  0.181674  0.327002  0.593052  1
  Al  Al113  1  0.182497  0.685119  0.562019  1
  Al  Al114  1  0.188033  0.966556  0.623727  1
  Al  Al115  1  0.181856  0.213153  0.568220  1
  Al  Al116  1  0.191183  0.496386  0.631372  1
  Al  Al117  1  0.183011  0.854496  0.598008  1
  Al  Al118  1  0.323239  0.392913  0.553395  1
  Al  Al119  1  0.334782  0.676107  0.614199  1
  Al  Al120  1  0.327850  0.033659  0.583412  1
  Al  Al121  1  0.681710  0.346408  0.569989  1
  Al  Al122  1  0.664351  0.631751  0.638735  1
  Al  Al123  1  0.682540  0.987366  0.600333  1
  Al  Al124  1  0.826102  0.525377  0.555382  1
  Al  Al125  1  0.834809  0.808694  0.614713  1
  Al  Al126  1  0.825762  0.166455  0.585198  1
  Al  Al127  1  0.669678  0.157789  0.636864  1
  Al  Al128  1  0.679823  0.515626  0.607301  1
  Al  Al129  1  0.686519  0.873918  0.575453  1
  Al  Al130  1  0.823184  0.335467  0.621554  1
  Al  Al131  1  0.820129  0.691336  0.592151  1
  Al  Al132  1  0.822089  0.053164  0.560281  1
  Al  Al133  1  0.319745  0.506756  0.578597  1
  Al  Al134  1  0.326317  0.864613  0.546706  1
  Al  Al135  1  0.319532  0.147013  0.608186  1
  Al  Al136  1  0.517309  0.253439  0.600820  1
  Al  Al137  1  0.514582  0.611051  0.570137  1
  Al  Al138  1  0.522980  0.895053  0.631746  1
  Al  Al139  1  0.987286  0.433854  0.586125  1
  Al  Al140  1  0.992428  0.790499  0.554474  1
  Al  Al141  1  0.992275  0.071933  0.615351  1
  Al  Al142  1  0.489791  0.408968  0.614171  1
  Al  Al143  1  0.492132  0.767941  0.582778  1
  Al  Al144  1  0.489508  0.126873  0.552522  1
  Al  Al145  1  0.096374  0.165378  0.715916  1
  Al  Al146  1  0.020203  0.505662  0.686395  1
  Al  Al147  1  0.011854  0.873999  0.659477  1
  Al  Al148  1  0.141205  0.250244  0.681514  1
  Al  Al149  1  0.211668  0.609195  0.656932  1
  Al  Al150  1  0.149773  0.888635  0.711951  1
  Al  Al151  1  0.176538  0.137287  0.659663  1
  Al  Al152  1  0.124608  0.415101  0.717599  1
  Al  Al153  1  0.131737  0.779812  0.687188  1
  Al  Al154  1  0.326180  0.316917  0.644536  1
  Al  Al155  1  0.234827  0.583749  0.713388  1
  Al  Al156  1  0.333434  0.957265  0.675265  1
  Al  Al157  1  0.689399  0.267439  0.661010  1
  Al  Al158  1  0.665728  0.547996  0.716802  1
  Al  Al159  1  0.680039  0.910182  0.693927  1
  Al  Al160  1  0.818633  0.449453  0.646702  1
  Al  Al161  1  0.780821  0.717742  0.699327  1
  Al  Al162  1  0.825026  0.085859  0.669225  1
  Al  Al163  1  0.723468  0.106620  0.716403  1
  Al  Al164  1  0.690677  0.432924  0.700144  1
  Al  Al165  1  0.696804  0.803116  0.664744  1
  Al  Al166  1  0.788851  0.255427  0.713409  1
  Al  Al167  1  0.876167  0.611850  0.684890  1
  Al  Al168  1  0.821925  0.976202  0.652535  1
  Al  Al169  1  0.331719  0.426658  0.668774  1
  Al  Al170  1  0.320284  0.791967  0.636985  1
  Al  Al171  1  0.325615  0.072603  0.699233  1
  Al  Al172  1  0.483308  0.185633  0.691385  1
  Al  Al173  1  0.521123  0.534929  0.664448  1
  Al  Al174  1  0.483589  0.803356  0.714017  1
  Al  Al175  1  0.992127  0.354129  0.674978  1
  Al  Al176  1  1.001198  0.710805  0.647074  1
  Al  Al177  1  0.990868  1.000845  0.704049  1
  Al  Al178  1  0.448205  0.328689  0.700469  1
  Al  Al179  1  0.432787  0.716479  0.670711  1
  Al  Al180  1  0.486985  0.049660  0.643640  1
  Ni  Ni181  1  0.862768  0.495720  0.305289  1
  Ni  Ni182  1  0.910723  0.859272  0.280765  1
  Ni  Ni183  1  0.873114  0.137710  0.341067  1
  Ni  Ni184  1  0.493026  0.544336  0.311150  1
  Ni  Ni185  1  0.376798  0.805392  0.339299  1
  Ni  Ni186  1  0.381474  0.159192  0.308505  1
  Ni  Ni187  1  0.121822  0.622246  0.355348  1
  Ni  Ni188  1  0.154933  0.990763  0.321718  1
  Ni  Ni189  1  0.158538  0.347719  0.292072  1
  Ni  Ni190  1  0.640841  0.683532  0.293930  1
  Ni  Ni191  1  0.637025  0.955543  0.356030  1
  Ni  Ni192  1  0.633554  0.316666  0.326105  1
  Ni  Ni193  1  0.882735  0.420566  0.401731  1
  Ni  Ni194  1  0.884876  0.776933  0.370805  1
  Ni  Ni195  1  0.882084  0.060757  0.431896  1
  Ni  Ni196  1  0.371022  0.441953  0.370365  1
  Ni  Ni197  1  0.385194  0.726722  0.430723  1
  Ni  Ni198  1  0.381071  0.085713  0.400507  1
  Ni  Ni199  1  0.128482  0.548471  0.445993  1
  Ni  Ni200  1  0.127465  0.906585  0.415942  1
  Ni  Ni201  1  0.124797  0.264581  0.385718  1
  Ni  Ni202  1  0.622699  0.597207  0.384829  1
  Ni  Ni203  1  0.628075  0.880759  0.446822  1
  Ni  Ni204  1  0.624855  0.240006  0.416610  1
  Ni  Ni205  1  0.879961  0.343442  0.493197  1
  Ni  Ni206  1  0.881615  0.701153  0.461945  1
  Ni  Ni207  1  0.881422  0.984117  0.523296  1
  Ni  Ni208  1  0.379266  0.368829  0.462062  1
  Ni  Ni209  1  0.382727  0.650969  0.522810  1
  Ni  Ni210  1  0.381698  0.009719  0.492330  1
  Ni  Ni211  1  0.126679  0.472288  0.538601  1
  Ni  Ni212  1  0.128333  0.829998  0.507348  1
  Ni  Ni213  1  0.126873  0.189323  0.477249  1
  Ni  Ni214  1  0.625568  0.522471  0.477735  1
  Ni  Ni215  1  0.629029  0.804612  0.538484  1
  Ni  Ni216  1  0.626597  0.163722  0.508216  1
  Ni  Ni217  1  0.880830  0.266856  0.584603  1
  Ni  Ni218  1  0.879812  0.624970  0.554552  1
  Ni  Ni219  1  0.883498  0.908859  0.614827  1
  Ni  Ni220  1  0.380219  0.292681  0.553723  1
  Ni  Ni221  1  0.385595  0.576233  0.615716  1
  Ni  Ni222  1  0.383440  0.933435  0.583936  1
  Ni  Ni223  1  0.123419  0.396508  0.629740  1
  Ni  Ni224  1  0.125560  0.752874  0.598815  1
  Ni  Ni225  1  0.126211  0.112684  0.568650  1
  Ni  Ni226  1  0.623100  0.446718  0.569822  1
  Ni  Ni227  1  0.637272  0.731488  0.630180  1
  Ni  Ni228  1  0.627224  0.087728  0.600038  1
  Ni  Ni229  1  0.853362  0.182677  0.678827  1
  Ni  Ni230  1  0.886472  0.551194  0.645197  1
  Ni  Ni231  1  0.849756  0.825722  0.708473  1
  Ni  Ni232  1  0.371270  0.217897  0.644515  1
  Ni  Ni233  1  0.367454  0.489908  0.706615  1
  Ni  Ni234  1  0.374741  0.856775  0.674441  1
  Ni  Ni235  1  0.097571  0.314169  0.719780  1
  Ni  Ni236  1  0.145527  0.677721  0.695257  1
  Ni  Ni237  1  0.135181  0.035731  0.659479  1
  Ni  Ni238  1  0.631497  0.368049  0.661247  1
  Ni  Ni239  1  0.515268  0.629105  0.689395  1
  Ni  Ni240  1  0.626821  0.014248  0.692041  1
