# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.92648654
_cell_length_b   9.90966019
_cell_length_c   50.94150196
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.12825434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7796.70432889
_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  0.904594  0.936501  0.336904  1
  Al  Al2  1  0.509842  0.184609  0.279684  1
  Al  Al3  1  0.207639  0.049481  0.307252  1
  Al  Al4  1  0.696220  0.313137  0.294535  1
  Al  Al5  1  0.400420  0.193844  0.324186  1
  Al  Al6  1  0.102531  0.073893  0.355062  1
  Al  Al7  1  0.758869  0.691570  0.347486  1
  Al  Al8  1  0.361915  0.932747  0.287840  1
  Al  Al9  1  0.061022  0.802276  0.318781  1
  Al  Al10  1  0.874740  0.376402  0.300036  1
  Al  Al11  1  0.572162  0.263137  0.331531  1
  Al  Al12  1  0.274273  0.140007  0.360295  1
  Al  Al13  1  0.817975  0.158967  0.332841  1
  Al  Al14  1  0.422260  0.405671  0.272821  1
  Al  Al15  1  0.115959  0.279597  0.300526  1
  Al  Al16  1  0.936399  0.847380  0.285659  1
  Al  Al17  1  0.632392  0.732236  0.313966  1
  Al  Al18  1  0.330262  0.609148  0.345216  1
  Al  Al19  1  0.778730  0.897604  0.295060  1
  Al  Al20  1  0.475717  0.777352  0.326022  1
  Al  Al21  1  0.175560  0.655117  0.355988  1
  Al  Al22  1  0.992504  0.224211  0.339161  1
  Al  Al23  1  0.601196  0.487950  0.277840  1
  Al  Al24  1  0.291158  0.344068  0.308998  1
  Al  Al25  1  0.912557  0.640119  0.336822  1
  Al  Al26  1  0.526063  0.892729  0.277540  1
  Al  Al27  1  0.215831  0.760170  0.306721  1
  Al  Al28  1  0.931187  0.130392  0.289130  1
  Al  Al29  1  0.641813  0.034555  0.314549  1
  Al  Al30  1  0.341446  0.912798  0.343330  1
  Al  Al31  1  0.788238  0.604287  0.295343  1
  Al  Al32  1  0.487609  0.485056  0.325089  1
  Al  Al33  1  0.186900  0.362863  0.355106  1
  Al  Al34  1  0.749953  0.387865  0.348945  1
  Al  Al35  1  0.346869  0.629369  0.290087  1
  Al  Al36  1  0.048094  0.502929  0.320526  1
  Al  Al37  1  1.001108  0.580996  0.428308  1
  Al  Al38  1  0.602103  0.816907  0.366945  1
  Al  Al39  1  0.301344  0.699277  0.397762  1
  Al  Al40  1  0.800546  0.956683  0.384903  1
  Al  Al41  1  0.499542  0.838727  0.415361  1
  Al  Al42  1  0.199020  0.720212  0.445862  1
  Al  Al43  1  0.858014  0.334404  0.438670  1
  Al  Al44  1  0.458294  0.572922  0.377688  1
  Al  Al45  1  0.158646  0.452905  0.408206  1
  Al  Al46  1  0.973600  0.020473  0.390641  1
  Al  Al47  1  0.672933  0.902908  0.421127  1
  Al  Al48  1  0.372211  0.784976  0.451634  1
  Al  Al49  1  0.915827  0.805438  0.423514  1
  Al  Al50  1  0.518529  0.042177  0.363923  1
  Al  Al51  1  0.216665  0.924459  0.393816  1
  Al  Al52  1  0.031321  0.490078  0.376115  1
  Al  Al53  1  0.731904  0.374237  0.406309  1
  Al  Al54  1  0.430673  0.255966  0.436689  1
  Al  Al55  1  0.875941  0.539503  0.386155  1
  Al  Al56  1  0.576055  0.422041  0.416872  1
  Al  Al57  1  0.275003  0.303243  0.447012  1
  Al  Al58  1  0.088803  0.869459  0.429679  1
  Al  Al59  1  0.691231  0.107836  0.368801  1
  Al  Al60  1  0.389453  0.988890  0.399299  1
  Al  Al61  1  0.013908  0.287859  0.428499  1
  Al  Al62  1  0.613674  0.523604  0.367801  1
  Al  Al63  1  0.313824  0.406306  0.397905  1
  Al  Al64  1  0.040903  0.792060  0.373692  1
  Al  Al65  1  0.741073  0.675764  0.403818  1
  Al  Al66  1  0.440649  0.557871  0.434252  1
  Al  Al67  1  0.888763  0.244188  0.386440  1
  Al  Al68  1  0.588247  0.127035  0.417054  1
  Al  Al69  1  0.286977  0.009796  0.447079  1
  Al  Al70  1  0.847785  0.032150  0.441088  1
  Al  Al71  1  0.449655  0.269749  0.380205  1
  Al  Al72  1  0.148815  0.150236  0.410991  1
  Al  Al73  1  0.099639  0.225810  0.519512  1
  Al  Al74  1  0.700963  0.462996  0.458784  1
  Al  Al75  1  0.400150  0.344510  0.489125  1
  Al  Al76  1  0.898158  0.601082  0.476287  1
  Al  Al77  1  0.597481  0.482490  0.506703  1
  Al  Al78  1  0.296925  0.364406  0.537039  1
  Al  Al79  1  0.955965  0.979050  0.529818  1
  Al  Al80  1  0.557222  0.216340  0.469096  1
  Al  Al81  1  0.256572  0.097894  0.499464  1
  Al  Al82  1  0.071462  0.666276  0.482053  1
  Al  Al83  1  0.770787  0.547560  0.512557  1
  Al  Al84  1  0.470214  0.429248  0.543045  1
  Al  Al85  1  0.014343  0.449972  0.514890  1
  Al  Al86  1  0.615591  0.687000  0.453898  1
  Al  Al87  1  0.315018  0.568688  0.484387  1
  Al  Al88  1  0.129839  0.137197  0.467125  1
  Al  Al89  1  0.829232  0.018354  0.497479  1
  Al  Al90  1  0.528583  0.899907  0.527847  1
  Al  Al91  1  0.974159  0.184021  0.477402  1
  Al  Al92  1  0.673557  0.065556  0.507774  1
  Al  Al93  1  0.372696  0.947154  0.538162  1
  Al  Al94  1  0.187647  0.515166  0.520656  1
  Al  Al95  1  0.788880  0.751842  0.459904  1
  Al  Al96  1  0.488323  0.633758  0.490240  1
  Al  Al97  1  0.111645  0.932227  0.519541  1
  Al  Al98  1  0.713109  0.169094  0.458781  1
  Al  Al99  1  0.412248  0.050692  0.489169  1
  Al  Al100  1  0.140087  0.439626  0.464699  1
  Al  Al101  1  0.839298  0.320708  0.495076  1
  Al  Al102  1  0.538622  0.202209  0.525506  1
  Al  Al103  1  0.986165  0.890438  0.477431  1
  Al  Al104  1  0.685654  0.771738  0.507818  1
  Al  Al105  1  0.384842  0.653252  0.538159  1
  Al  Al106  1  0.945717  0.676622  0.532244  1
  Al  Al107  1  0.547183  0.914039  0.471437  1
  Al  Al108  1  0.246507  0.795540  0.501867  1
  Al  Al109  1  0.197042  0.872059  0.610503  1
  Al  Al110  1  0.798828  0.106452  0.549864  1
  Al  Al111  1  0.497558  0.989213  0.579890  1
  Al  Al112  1  0.997002  0.246789  0.567264  1
  Al  Al113  1  0.696352  0.127358  0.597644  1
  Al  Al114  1  0.394573  0.008412  0.628142  1
  Al  Al115  1  0.054484  0.626169  0.620828  1
  Al  Al116  1  0.655132  0.860282  0.560254  1
  Al  Al117  1  0.353901  0.742011  0.590634  1
  Al  Al118  1  0.169977  0.310810  0.573429  1
  Al  Al119  1  0.869139  0.191789  0.603127  1
  Al  Al120  1  0.567275  0.074070  0.633021  1
  Al  Al121  1  0.112205  0.095775  0.606302  1
  Al  Al122  1  0.713594  0.331271  0.545309  1
  Al  Al123  1  0.412871  0.213340  0.575816  1
  Al  Al124  1  0.227791  0.781843  0.558273  1
  Al  Al125  1  0.927159  0.663342  0.588738  1
  Al  Al126  1  0.627510  0.543325  0.619255  1
  Al  Al127  1  0.071897  0.828389  0.568444  1
  Al  Al128  1  0.771981  0.709941  0.599038  1
  Al  Al129  1  0.472131  0.592644  0.629142  1
  Al  Al130  1  0.285259  0.159564  0.612040  1
  Al  Al131  1  0.886785  0.396036  0.551081  1
  Al  Al132  1  0.586263  0.277521  0.581582  1
  Al  Al133  1  0.209863  0.576745  0.610789  1
  Al  Al134  1  0.810802  0.813004  0.549931  1
  Al  Al135  1  0.509750  0.694206  0.580071  1
  Al  Al136  1  0.238020  0.084098  0.555855  1
  Al  Al137  1  0.936990  0.966012  0.585952  1
  Al  Al138  1  0.636150  0.846499  0.616738  1
  Al  Al139  1  0.084697  0.535252  0.568635  1
  Al  Al140  1  0.784460  0.416971  0.599181  1
  Al  Al141  1  0.483702  0.299341  0.629998  1
  Al  Al142  1  0.044902  0.324188  0.623251  1
  Al  Al143  1  0.645156  0.558377  0.562691  1
  Al  Al144  1  0.344732  0.440484  0.593126  1
  Al  Al145  1  0.297567  0.511960  0.701600  1
  Al  Al146  1  0.898905  0.753385  0.641838  1
  Al  Al147  1  0.598196  0.631192  0.671854  1
  Al  Al148  1  0.093300  0.892037  0.657782  1
  Al  Al149  1  0.794647  0.772179  0.687945  1
  Al  Al150  1  0.484609  0.628298  0.719103  1
  Al  Al151  1  0.149405  0.268867  0.711284  1
  Al  Al152  1  0.755543  0.507100  0.651727  1
  Al  Al153  1  0.453413  0.384012  0.682977  1
  Al  Al154  1  0.267829  0.957281  0.664102  1
  Al  Al155  1  0.969846  0.836651  0.696417  1
  Al  Al156  1  0.663545  0.710577  0.724122  1
  Al  Al157  1  0.211064  0.739846  0.696907  1
  Al  Al158  1  0.811532  0.976241  0.636648  1
  Al  Al159  1  0.513642  0.853110  0.665412  1
  Al  Al160  1  0.326935  0.424677  0.649457  1
  Al  Al161  1  0.024782  0.313972  0.678162  1
  Al  Al162  1  0.723890  0.183501  0.709103  1
  Al  Al163  1  0.173247  0.476129  0.660121  1
  Al  Al164  1  0.869974  0.356078  0.690222  1
  Al  Al165  1  0.559741  0.223518  0.719403  1
  Al  Al166  1  0.389585  0.803111  0.702408  1
  Al  Al167  1  0.983273  0.042354  0.641881  1
  Al  Al168  1  0.685385  0.922404  0.672757  1
  Al  Al169  1  0.307074  0.218644  0.701883  1
  Al  Al170  1  0.910245  0.461131  0.640955  1
  Al  Al171  1  0.610088  0.338896  0.670921  1
  Al  Al172  1  0.335852  0.728383  0.647998  1
  Al  Al173  1  0.037711  0.613319  0.676417  1
  Al  Al174  1  0.738936  0.486879  0.706856  1
  Al  Al175  1  0.181211  0.179747  0.660039  1
  Al  Al176  1  0.878166  0.066767  0.689691  1
  Al  Al177  1  0.575963  0.931639  0.717259  1
  Al  Al178  1  0.154618  0.985856  0.707813  1
  Al  Al179  1  0.744358  0.203449  0.653613  1
  Al  Al180  1  0.443992  0.081693  0.682394  1
  Ni  Ni181  1  0.735055  0.921228  0.341070  1
  Ni  Ni182  1  0.338508  0.165207  0.279691  1
  Ni  Ni183  1  0.042574  0.036216  0.311066  1
  Ni  Ni184  1  0.775750  0.139747  0.285490  1
  Ni  Ni185  1  0.484421  0.021333  0.317434  1
  Ni  Ni186  1  0.184474  0.899664  0.347003  1
  Ni  Ni187  1  0.958691  0.613437  0.291167  1
  Ni  Ni188  1  0.656230  0.500334  0.322694  1
  Ni  Ni189  1  0.357421  0.378771  0.352441  1
  Ni  Ni190  1  0.907243  0.396351  0.347414  1
  Ni  Ni191  1  0.503968  0.642454  0.286349  1
  Ni  Ni192  1  0.205380  0.515280  0.315486  1
  Ni  Ni193  1  0.833346  0.566777  0.432111  1
  Ni  Ni194  1  0.433243  0.804098  0.371423  1
  Ni  Ni195  1  0.133712  0.684916  0.401784  1
  Ni  Ni196  1  0.883203  0.783620  0.376102  1
  Ni  Ni197  1  0.582598  0.666172  0.406540  1
  Ni  Ni198  1  0.282283  0.547704  0.437094  1
  Ni  Ni199  1  0.057418  0.258715  0.382915  1
  Ni  Ni200  1  0.755872  0.141558  0.412884  1
  Ni  Ni201  1  0.455090  0.023598  0.443318  1
  Ni  Ni202  1  0.006007  0.043005  0.438065  1
  Ni  Ni203  1  0.608272  0.279926  0.378162  1
  Ni  Ni204  1  0.307066  0.162563  0.407660  1
  Ni  Ni205  1  0.931321  0.211252  0.523240  1
  Ni  Ni206  1  0.532638  0.448558  0.462589  1
  Ni  Ni207  1  0.232051  0.330090  0.492883  1
  Ni  Ni208  1  0.981655  0.428750  0.467609  1
  Ni  Ni209  1  0.680978  0.310162  0.497995  1
  Ni  Ni210  1  0.380368  0.191957  0.528406  1
  Ni  Ni211  1  0.154484  0.904996  0.473703  1
  Ni  Ni212  1  0.853754  0.786158  0.504060  1
  Ni  Ni213  1  0.553167  0.667690  0.534354  1
  Ni  Ni214  1  0.104150  0.687497  0.529334  1
  Ni  Ni215  1  0.705436  0.924291  0.468537  1
  Ni  Ni216  1  0.404826  0.806085  0.498949  1
  Ni  Ni217  1  0.028386  0.857533  0.614028  1
  Ni  Ni218  1  0.630715  0.092650  0.553625  1
  Ni  Ni219  1  0.329933  0.974690  0.584059  1
  Ni  Ni220  1  0.079797  0.073243  0.558878  1
  Ni  Ni221  1  0.778739  0.953685  0.589283  1
  Ni  Ni222  1  0.477533  0.836321  0.618781  1
  Ni  Ni223  1  0.252458  0.549471  0.564832  1
  Ni  Ni224  1  0.952092  0.431331  0.595159  1
  Ni  Ni225  1  0.652562  0.312150  0.625520  1
  Ni  Ni226  1  0.202602  0.332627  0.620841  1
  Ni  Ni227  1  0.803521  0.568544  0.559850  1
  Ni  Ni228  1  0.503207  0.450076  0.590403  1
  Ni  Ni229  1  0.127114  0.502810  0.705776  1
  Ni  Ni230  1  0.728383  0.737477  0.644502  1
  Ni  Ni231  1  0.429575  0.615914  0.674249  1
  Ni  Ni232  1  0.178561  0.719897  0.649529  1
  Ni  Ni233  1  0.880425  0.600968  0.681457  1
  Ni  Ni234  1  0.581836  0.473793  0.710594  1
  Ni  Ni235  1  0.350750  0.195019  0.655873  1
  Ni  Ni236  1  0.043231  0.080032  0.685877  1
  Ni  Ni237  1  0.747297  0.951041  0.717252  1
  Ni  Ni238  1  0.310054  0.976501  0.711453  1
  Ni  Ni239  1  0.901331  0.216584  0.649940  1
  Ni  Ni240  1  0.601384  0.094915  0.679509  1
