# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.88991953
_cell_length_b   8.82739169
_cell_length_c   48.08099909
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.22494530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   8364.26725157
_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  0.836539  0.040749  0.348310  1
  Al  Al2  1  0.156051  0.937178  0.372324  1
  Al  Al3  1  0.518797  0.134056  0.318607  1
  Al  Al4  1  0.904467  0.308566  0.322043  1
  Al  Al5  1  0.216572  0.219769  0.350243  1
  Al  Al6  1  0.589989  0.424571  0.294911  1
  Al  Al7  1  0.876675  0.743413  0.371812  1
  Al  Al8  1  0.233787  0.940228  0.316790  1
  Al  Al9  1  0.555644  0.842289  0.345703  1
  Al  Al10  1  0.957712  0.547784  0.295804  1
  Al  Al11  1  0.279663  0.422500  0.319349  1
  Al  Al12  1  0.600718  0.327491  0.349031  1
  Al  Al13  1  0.072618  0.343904  0.315157  1
  Al  Al14  1  0.391415  0.246559  0.343439  1
  Al  Al15  1  0.708911  0.143790  0.371329  1
  Al  Al16  1  0.105870  0.837104  0.317088  1
  Al  Al17  1  0.434088  0.728941  0.346953  1
  Al  Al18  1  0.811008  0.907511  0.295046  1
  Al  Al19  1  0.043237  0.770141  0.366533  1
  Al  Al20  1  0.405221  0.966469  0.308511  1
  Al  Al21  1  0.726305  0.869896  0.339558  1
  Al  Al22  1  0.088316  0.258930  0.370671  1
  Al  Al23  1  0.451226  0.455970  0.312378  1
  Al  Al24  1  0.768699  0.359099  0.340362  1
  Al  Al25  1  0.944853  0.824141  0.324222  1
  Al  Al26  1  0.263536  0.703577  0.355144  1
  Al  Al27  1  0.626517  0.903042  0.297841  1
  Al  Al28  1  0.010431  0.078055  0.338421  1
  Al  Al29  1  0.328343  0.974060  0.362508  1
  Al  Al30  1  0.694552  0.160048  0.310056  1
  Al  Al31  1  0.150945  0.534666  0.348905  1
  Al  Al32  1  0.511883  0.726838  0.295558  1
  Al  Al33  1  0.830308  0.620024  0.322351  1
  Al  Al34  1  0.979882  0.492484  0.357619  1
  Al  Al35  1  0.336527  0.690703  0.305829  1
  Al  Al36  1  0.660703  0.599356  0.331906  1
  Al  Al37  1  0.795009  0.746405  0.429080  1
  Al  Al38  1  0.113840  0.647025  0.456589  1
  Al  Al39  1  0.475534  0.845372  0.399683  1
  Al  Al40  1  0.858766  0.019760  0.406691  1
  Al  Al41  1  0.176105  0.925493  0.433327  1
  Al  Al42  1  0.537233  0.118503  0.377507  1
  Al  Al43  1  0.831776  0.451750  0.456390  1
  Al  Al44  1  0.192927  0.647725  0.401461  1
  Al  Al45  1  0.511645  0.550679  0.428198  1
  Al  Al46  1  0.920162  0.230847  0.377687  1
  Al  Al47  1  0.239136  0.133435  0.404254  1
  Al  Al48  1  0.558121  0.037288  0.432163  1
  Al  Al49  1  0.028863  0.044664  0.399636  1
  Al  Al50  1  0.347076  0.946063  0.426878  1
  Al  Al51  1  0.665337  0.848454  0.454832  1
  Al  Al52  1  0.071647  0.531724  0.402860  1
  Al  Al53  1  0.390676  0.432689  0.430473  1
  Al  Al54  1  0.755630  0.628408  0.375638  1
  Al  Al55  1  1.001972  0.474651  0.450437  1
  Al  Al56  1  0.364121  0.670599  0.393886  1
  Al  Al57  1  0.682903  0.572817  0.422066  1
  Al  Al58  1  0.046433  0.960299  0.454441  1
  Al  Al59  1  0.407280  0.156736  0.397535  1
  Al  Al60  1  0.727341  0.059605  0.426144  1
  Al  Al61  1  0.902864  0.508931  0.409492  1
  Al  Al62  1  0.223019  0.409423  0.437539  1
  Al  Al63  1  0.583729  0.603893  0.381832  1
  Al  Al64  1  0.966385  0.780815  0.418502  1
  Al  Al65  1  0.285353  0.684576  0.446197  1
  Al  Al66  1  0.648174  0.879047  0.390208  1
  Al  Al67  1  0.110503  0.238858  0.430967  1
  Al  Al68  1  0.471057  0.435260  0.374106  1
  Al  Al69  1  0.791004  0.332584  0.402473  1
  Al  Al70  1  0.938287  0.201258  0.441664  1
  Al  Al71  1  0.298824  0.398883  0.384264  1
  Al  Al72  1  0.618685  0.300106  0.412771  1
  Al  Al73  1  0.751993  0.451958  0.512381  1
  Al  Al74  1  0.070969  0.354007  0.540822  1
  Al  Al75  1  0.432462  0.550179  0.484129  1
  Al  Al76  1  0.815367  0.727336  0.489551  1
  Al  Al77  1  0.134555  0.630444  0.517336  1
  Al  Al78  1  0.495679  0.826940  0.460889  1
  Al  Al79  1  0.789615  0.158486  0.540435  1
  Al  Al80  1  0.151117  0.354757  0.484450  1
  Al  Al81  1  0.469887  0.256926  0.511908  1
  Al  Al82  1  0.877573  0.938469  0.461197  1
  Al  Al83  1  0.196136  0.840894  0.488197  1
  Al  Al84  1  0.515017  0.743907  0.515774  1
  Al  Al85  1  0.985117  0.749791  0.483436  1
  Al  Al86  1  0.303998  0.652804  0.511012  1
  Al  Al87  1  0.622562  0.555229  0.538013  1
  Al  Al88  1  0.030247  0.236772  0.487302  1
  Al  Al89  1  0.349017  0.138941  0.514760  1
  Al  Al90  1  0.710520  0.335212  0.458775  1
  Al  Al91  1  0.959105  0.181089  0.534446  1
  Al  Al92  1  0.321306  0.376583  0.478066  1
  Al  Al93  1  0.639552  0.279045  0.505784  1
  Al  Al94  1  0.004455  0.666758  0.538320  1
  Al  Al95  1  0.365579  0.863254  0.481874  1
  Al  Al96  1  0.684768  0.766362  0.509659  1
  Al  Al97  1  0.860583  0.214653  0.493426  1
  Al  Al98  1  0.178828  0.117116  0.521144  1
  Al  Al99  1  0.541029  0.312609  0.464764  1
  Al  Al100  1  0.923875  0.487367  0.502172  1
  Al  Al101  1  0.242873  0.390085  0.530092  1
  Al  Al102  1  0.604332  0.586043  0.473659  1
  Al  Al103  1  0.067672  0.943519  0.515081  1
  Al  Al104  1  0.429165  0.139691  0.458388  1
  Al  Al105  1  0.748141  0.041740  0.486829  1
  Al  Al106  1  0.895802  0.907656  0.525551  1
  Al  Al107  1  0.257262  0.103613  0.469117  1
  Al  Al108  1  0.576260  0.006331  0.497037  1
  Al  Al109  1  0.709130  0.161114  0.596736  1
  Al  Al110  1  0.029078  0.058438  0.625104  1
  Al  Al111  1  0.389632  0.254840  0.568243  1
  Al  Al112  1  0.772794  0.434093  0.573066  1
  Al  Al113  1  0.092855  0.336962  0.601674  1
  Al  Al114  1  0.453702  0.533399  0.544769  1
  Al  Al115  1  0.744504  0.865290  0.623572  1
  Al  Al116  1  0.109458  0.061009  0.568737  1
  Al  Al117  1  0.428487  0.961974  0.596350  1
  Al  Al118  1  0.834798  0.645245  0.544378  1
  Al  Al119  1  0.153059  0.547635  0.572331  1
  Al  Al120  1  0.471271  0.449034  0.599574  1
  Al  Al121  1  0.942014  0.456410  0.567047  1
  Al  Al122  1  0.260999  0.360263  0.594956  1
  Al  Al123  1  0.579972  0.262851  0.621523  1
  Al  Al124  1  0.988489  0.943019  0.571012  1
  Al  Al125  1  0.307207  0.845973  0.597748  1
  Al  Al126  1  0.668358  0.041949  0.542820  1
  Al  Al127  1  0.916406  0.889805  0.617378  1
  Al  Al128  1  0.277116  0.084275  0.561671  1
  Al  Al129  1  0.597271  0.984767  0.589718  1
  Al  Al130  1  0.962901  0.375195  0.621703  1
  Al  Al131  1  0.324029  0.568206  0.565883  1
  Al  Al132  1  0.641369  0.473938  0.592519  1
  Al  Al133  1  0.817231  0.920881  0.577143  1
  Al  Al134  1  0.136013  0.823099  0.605324  1
  Al  Al135  1  0.498162  0.019047  0.548773  1
  Al  Al136  1  0.881450  0.193592  0.586439  1
  Al  Al137  1  0.201310  0.094815  0.614946  1
  Al  Al138  1  0.561847  0.292440  0.557546  1
  Al  Al139  1  0.024601  0.648326  0.599527  1
  Al  Al140  1  0.386294  0.846673  0.542621  1
  Al  Al141  1  0.705125  0.747293  0.570130  1
  Al  Al142  1  0.851960  0.614651  0.609002  1
  Al  Al143  1  0.214782  0.809122  0.553012  1
  Al  Al144  1  0.533749  0.712883  0.580708  1
  Al  Al145  1  0.669827  0.873674  0.676859  1
  Al  Al146  1  0.988251  0.766860  0.703652  1
  Al  Al147  1  0.349189  0.959032  0.650305  1
  Al  Al148  1  0.731435  0.134599  0.658848  1
  Al  Al149  1  0.048908  0.037728  0.686831  1
  Al  Al150  1  0.411818  0.234768  0.628539  1
  Al  Al151  1  0.689126  0.586187  0.704164  1
  Al  Al152  1  0.066046  0.764757  0.652257  1
  Al  Al153  1  0.394264  0.656594  0.682122  1
  Al  Al154  1  0.791223  0.349909  0.627881  1
  Al  Al155  1  0.108719  0.247139  0.655771  1
  Al  Al156  1  0.427516  0.149794  0.684053  1
  Al  Al157  1  0.899417  0.166207  0.650179  1
  Al  Al158  1  0.220471  0.071198  0.679861  1
  Al  Al159  1  0.542423  0.945914  0.703405  1
  Al  Al160  1  0.944490  0.651409  0.653507  1
  Al  Al161  1  0.266348  0.553470  0.682420  1
  Al  Al162  1  0.623459  0.750285  0.627398  1
  Al  Al163  1  0.873617  0.590657  0.701369  1
  Al  Al164  1  0.236599  0.790121  0.644065  1
  Al  Al165  1  0.555281  0.669557  0.674987  1
  Al  Al166  1  0.910145  0.069127  0.704299  1
  Al  Al167  1  0.283563  0.273929  0.648967  1
  Al  Al168  1  0.595667  0.185133  0.677167  1
  Al  Al169  1  0.773830  0.623802  0.659652  1
  Al  Al170  1  0.094913  0.527229  0.690699  1
  Al  Al171  1  0.456897  0.723558  0.632677  1
  Al  Al172  1  0.839431  0.894342  0.667304  1
  Al  Al173  1  0.163607  0.802995  0.693381  1
  Al  Al174  1  0.520252  1.001214  0.641591  1
  Al  Al175  1  0.981338  0.359642  0.680603  1
  Al  Al176  1  0.344084  0.556520  0.626886  1
  Al  Al177  1  0.663596  0.452949  0.650900  1
  Al  Al178  1  0.805582  0.333650  0.689154  1
  Al  Al179  1  0.171791  0.519638  0.636702  1
  Al  Al180  1  0.489704  0.415643  0.660789  1
  Ni  Ni181  1  0.128662  0.094283  0.330408  1
  Ni  Ni182  1  0.448673  0.998538  0.355193  1
  Ni  Ni183  1  0.814681  0.175654  0.305092  1
  Ni  Ni184  1  0.943238  0.949682  0.371339  1
  Ni  Ni185  1  0.306440  0.135967  0.319663  1
  Ni  Ni186  1  0.623871  0.044828  0.343116  1
  Ni  Ni187  1  0.859171  0.467763  0.363396  1
  Ni  Ni188  1  0.209940  0.667350  0.312246  1
  Ni  Ni189  1  0.539115  0.568926  0.336063  1
  Ni  Ni190  1  0.046221  0.620273  0.324194  1
  Ni  Ni191  1  0.364754  0.524576  0.348284  1
  Ni  Ni192  1  0.728284  0.719168  0.297801  1
  Ni  Ni193  1  0.087484  0.799954  0.413018  1
  Ni  Ni194  1  0.406523  0.702324  0.440649  1
  Ni  Ni195  1  0.770597  0.898464  0.385567  1
  Ni  Ni196  1  0.900666  0.656695  0.454159  1
  Ni  Ni197  1  0.261917  0.852226  0.398507  1
  Ni  Ni198  1  0.580888  0.755446  0.425530  1
  Ni  Ni199  1  0.816430  0.182151  0.446968  1
  Ni  Ni200  1  0.177798  0.378004  0.391588  1
  Ni  Ni201  1  0.496643  0.281018  0.418104  1
  Ni  Ni202  1  1.004076  0.326074  0.406319  1
  Ni  Ni203  1  0.323350  0.226571  0.433375  1
  Ni  Ni204  1  0.685945  0.425219  0.377222  1
  Ni  Ni205  1  0.045469  0.506082  0.497118  1
  Ni  Ni206  1  0.364461  0.408617  0.524684  1
  Ni  Ni207  1  0.726180  0.604891  0.468729  1
  Ni  Ni208  1  0.857805  0.363943  0.537675  1
  Ni  Ni209  1  0.219817  0.559246  0.481843  1
  Ni  Ni210  1  0.538199  0.461855  0.509095  1
  Ni  Ni211  1  0.773955  0.888807  0.530481  1
  Ni  Ni212  1  0.135674  0.085081  0.474526  1
  Ni  Ni213  1  0.454666  0.987616  0.502092  1
  Ni  Ni214  1  0.961936  0.031843  0.490115  1
  Ni  Ni215  1  0.280317  0.934452  0.517367  1
  Ni  Ni216  1  0.642329  0.129755  0.461535  1
  Ni  Ni217  1  1.003492  0.212680  0.581105  1
  Ni  Ni218  1  0.322337  0.115694  0.607622  1
  Ni  Ni219  1  0.683704  0.311547  0.552242  1
  Ni  Ni220  1  0.814190  0.068480  0.621988  1
  Ni  Ni221  1  0.176784  0.267127  0.565835  1
  Ni  Ni222  1  0.496058  0.167624  0.592891  1
  Ni  Ni223  1  0.729538  0.595234  0.613643  1
  Ni  Ni224  1  0.093612  0.791374  0.558561  1
  Ni  Ni225  1  0.412650  0.693744  0.586191  1
  Ni  Ni226  1  0.919246  0.738252  0.573679  1
  Ni  Ni227  1  0.238218  0.641472  0.600702  1
  Ni  Ni228  1  0.599469  0.837003  0.545051  1
  Ni  Ni229  1  0.961020  0.924772  0.663146  1
  Ni  Ni230  1  0.290194  0.826348  0.686964  1
  Ni  Ni231  1  0.640963  0.025935  0.635814  1
  Ni  Ni232  1  0.771851  0.774530  0.701409  1
  Ni  Ni233  1  0.135380  0.969122  0.650926  1
  Ni  Ni234  1  0.453913  0.873425  0.675016  1
  Ni  Ni235  1  0.685453  0.318044  0.694118  1
  Ni  Ni236  1  0.051462  0.495160  0.644017  1
  Ni  Ni237  1  0.371473  0.399415  0.668802  1
  Ni  Ni238  1  0.876263  0.448870  0.656094  1
  Ni  Ni239  1  0.193695  0.357731  0.679546  1
  Ni  Ni240  1  0.556897  0.544017  0.627871  1
