# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.85902424
_cell_length_b   16.84586404
_cell_length_c   46.74002184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.37075255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al198 Ni132'
_cell_volume   9939.92018473
_cell_formula_units_Z   66
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  0.331260  0.432009  0.283720  1
  Al  Al2  1  0.831260  0.432009  0.283720  1
  Al  Al3  1  0.775791  0.788312  0.272538  1
  Al  Al4  1  0.927243  0.100142  0.297121  1
  Al  Al5  1  0.275791  0.788312  0.272538  1
  Al  Al6  1  0.427243  0.100142  0.297121  1
  Al  Al7  1  0.772252  0.634805  0.302692  1
  Al  Al8  1  0.272252  0.634805  0.302692  1
  Al  Al9  1  0.206206  0.980786  0.289496  1
  Al  Al10  1  0.588615  0.307893  0.284046  1
  Al  Al11  1  0.706206  0.980786  0.289496  1
  Al  Al12  1  0.088615  0.307893  0.284046  1
  Al  Al13  1  0.554212  0.545795  0.295081  1
  Al  Al14  1  0.054212  0.545795  0.295081  1
  Al  Al15  1  0.988959  0.883651  0.285947  1
  Al  Al16  1  0.143589  0.196395  0.311713  1
  Al  Al17  1  0.488959  0.883651  0.285947  1
  Al  Al18  1  0.643589  0.196395  0.311713  1
  Al  Al19  1  0.070484  0.405055  0.328878  1
  Al  Al20  1  0.570484  0.405055  0.328878  1
  Al  Al21  1  0.485836  0.733206  0.310387  1
  Al  Al22  1  0.649028  0.049901  0.340683  1
  Al  Al23  1  0.985836  0.733206  0.310387  1
  Al  Al24  1  0.149028  0.049901  0.340683  1
  Al  Al25  1  0.506327  0.601406  0.344576  1
  Al  Al26  1  0.006327  0.601406  0.344576  1
  Al  Al27  1  0.929510  0.947135  0.330855  1
  Al  Al28  1  0.355246  0.291541  0.316904  1
  Al  Al29  1  0.429510  0.947135  0.330855  1
  Al  Al30  1  0.855246  0.291541  0.316904  1
  Al  Al31  1  0.288488  0.507897  0.336292  1
  Al  Al32  1  0.788488  0.507897  0.336292  1
  Al  Al33  1  0.716375  0.853887  0.324189  1
  Al  Al34  1  0.869830  0.163531  0.350393  1
  Al  Al35  1  0.216375  0.853887  0.324189  1
  Al  Al36  1  0.369830  0.163531  0.350393  1
  Al  Al37  1  0.802822  0.364054  0.368173  1
  Al  Al38  1  0.302822  0.364054  0.368173  1
  Al  Al39  1  0.223107  0.706452  0.354568  1
  Al  Al40  1  0.382109  0.020658  0.381996  1
  Al  Al41  1  0.723107  0.706452  0.354568  1
  Al  Al42  1  0.882109  0.020658  0.381996  1
  Al  Al43  1  0.238127  0.567587  0.386552  1
  Al  Al44  1  0.738127  0.567587  0.386552  1
  Al  Al45  1  0.662637  0.913097  0.371685  1
  Al  Al46  1  0.082511  0.258074  0.357987  1
  Al  Al47  1  0.162637  0.913097  0.371685  1
  Al  Al48  1  0.582511  0.258074  0.357987  1
  Al  Al49  1  0.021758  0.473506  0.377727  1
  Al  Al50  1  0.521758  0.473506  0.377727  1
  Al  Al51  1  0.447922  0.818227  0.363965  1
  Al  Al52  1  0.601974  0.129016  0.391350  1
  Al  Al53  1  0.947922  0.818227  0.363965  1
  Al  Al54  1  0.101974  0.129016  0.391350  1
  Al  Al55  1  0.535904  0.331072  0.410531  1
  Al  Al56  1  0.035904  0.331072  0.410531  1
  Al  Al57  1  0.958550  0.675941  0.396034  1
  Al  Al58  1  0.114627  0.986540  0.424032  1
  Al  Al59  1  0.458550  0.675941  0.396034  1
  Al  Al60  1  0.614627  0.986540  0.424032  1
  Al  Al61  1  0.971243  0.533376  0.428571  1
  Al  Al62  1  0.471243  0.533376  0.428571  1
  Al  Al63  1  0.394084  0.878197  0.414291  1
  Al  Al64  1  0.815627  0.222676  0.400713  1
  Al  Al65  1  0.894084  0.878197  0.414291  1
  Al  Al66  1  0.315627  0.222676  0.400713  1
  Al  Al67  1  0.756337  0.439105  0.420130  1
  Al  Al68  1  0.256337  0.439105  0.420130  1
  Al  Al69  1  0.177718  0.783848  0.405192  1
  Al  Al70  1  0.334302  0.094276  0.433759  1
  Al  Al71  1  0.677718  0.783848  0.405192  1
  Al  Al72  1  0.834302  0.094276  0.433759  1
  Al  Al73  1  0.268807  0.296796  0.452059  1
  Al  Al74  1  0.768807  0.296796  0.452059  1
  Al  Al75  1  0.691391  0.641912  0.438107  1
  Al  Al76  1  0.846807  0.952118  0.465668  1
  Al  Al77  1  0.191391  0.641912  0.438107  1
  Al  Al78  1  0.346807  0.952118  0.465668  1
  Al  Al79  1  0.704338  0.499494  0.470325  1
  Al  Al80  1  0.204338  0.499494  0.470325  1
  Al  Al81  1  0.127282  0.844280  0.456032  1
  Al  Al82  1  0.549291  0.188804  0.442364  1
  Al  Al83  1  0.627282  0.844280  0.456032  1
  Al  Al84  1  0.049291  0.188804  0.442364  1
  Al  Al85  1  0.488643  0.404908  0.461768  1
  Al  Al86  1  0.988643  0.404908  0.461768  1
  Al  Al87  1  0.911270  0.749783  0.447695  1
  Al  Al88  1  0.066699  0.060415  0.475506  1
  Al  Al89  1  0.411270  0.749783  0.447695  1
  Al  Al90  1  0.566699  0.060415  0.475506  1
  Al  Al91  1  1.001688  0.262788  0.493994  1
  Al  Al92  1  0.501688  0.262788  0.493994  1
  Al  Al93  1  0.424264  0.607652  0.479892  1
  Al  Al94  1  0.579656  0.918258  0.507611  1
  Al  Al95  1  0.924264  0.607652  0.479892  1
  Al  Al96  1  0.079656  0.918258  0.507611  1
  Al  Al97  1  0.437178  0.465263  0.512203  1
  Al  Al98  1  0.937178  0.465263  0.512203  1
  Al  Al99  1  0.859628  0.810103  0.497988  1
  Al  Al100  1  0.281706  0.154643  0.484299  1
  Al  Al101  1  0.359628  0.810103  0.497988  1
  Al  Al102  1  0.781706  0.154643  0.484299  1
  Al  Al103  1  0.221631  0.370941  0.503647  1
  Al  Al104  1  0.721631  0.370941  0.503647  1
  Al  Al105  1  0.643947  0.715688  0.489476  1
  Al  Al106  1  0.799692  0.026444  0.517317  1
  Al  Al107  1  0.143947  0.715688  0.489476  1
  Al  Al108  1  0.299692  0.026444  0.517317  1
  Al  Al109  1  0.734592  0.229046  0.535930  1
  Al  Al110  1  0.234592  0.229046  0.535930  1
  Al  Al111  1  0.156927  0.573301  0.521838  1
  Al  Al112  1  0.312512  0.884222  0.549525  1
  Al  Al113  1  0.656927  0.573301  0.521838  1
  Al  Al114  1  0.812512  0.884222  0.549525  1
  Al  Al115  1  0.170006  0.431173  0.554085  1
  Al  Al116  1  0.670006  0.431173  0.554085  1
  Al  Al117  1  0.592682  0.776095  0.539837  1
  Al  Al118  1  0.014673  0.120691  0.526098  1
  Al  Al119  1  0.092682  0.776095  0.539837  1
  Al  Al120  1  0.514673  0.120691  0.526098  1
  Al  Al121  1  0.954093  0.336818  0.545539  1
  Al  Al122  1  0.454093  0.336818  0.545539  1
  Al  Al123  1  0.376934  0.681477  0.531382  1
  Al  Al124  1  0.532137  0.992318  0.559217  1
  Al  Al125  1  0.876934  0.681477  0.531382  1
  Al  Al126  1  0.032137  0.992318  0.559217  1
  Al  Al127  1  0.466911  0.194681  0.577620  1
  Al  Al128  1  0.966911  0.194681  0.577620  1
  Al  Al129  1  0.889599  0.538811  0.563690  1
  Al  Al130  1  0.045425  0.849914  0.591020  1
  Al  Al131  1  0.389599  0.538811  0.563690  1
  Al  Al132  1  0.545425  0.849914  0.591020  1
  Al  Al133  1  0.903361  0.397032  0.596503  1
  Al  Al134  1  0.403361  0.397032  0.596503  1
  Al  Al135  1  0.324923  0.741918  0.581474  1
  Al  Al136  1  0.747092  0.086829  0.567847  1
  Al  Al137  1  0.824923  0.741918  0.581474  1
  Al  Al138  1  0.247092  0.086829  0.567847  1
  Al  Al139  1  0.687164  0.302949  0.587472  1
  Al  Al140  1  0.187164  0.302949  0.587472  1
  Al  Al141  1  0.109791  0.647432  0.573178  1
  Al  Al142  1  0.265878  0.958407  0.600807  1
  Al  Al143  1  0.609791  0.647432  0.573178  1
  Al  Al144  1  0.765878  0.958407  0.600807  1
  Al  Al145  1  0.199504  0.160802  0.619542  1
  Al  Al146  1  0.699504  0.160802  0.619542  1
  Al  Al147  1  0.622733  0.504917  0.605599  1
  Al  Al148  1  0.778759  0.817272  0.633374  1
  Al  Al149  1  0.122733  0.504917  0.605599  1
  Al  Al150  1  0.278759  0.817272  0.633374  1
  Al  Al151  1  0.634483  0.362626  0.638861  1
  Al  Al152  1  0.134483  0.362626  0.638861  1
  Al  Al153  1  0.059345  0.707348  0.623854  1
  Al  Al154  1  0.479495  0.052295  0.610249  1
  Al  Al155  1  0.559345  0.707348  0.623854  1
  Al  Al156  1  0.979495  0.052295  0.610249  1
  Al  Al157  1  0.419417  0.268194  0.629830  1
  Al  Al158  1  0.919417  0.268194  0.629830  1
  Al  Al159  1  0.843081  0.613177  0.615235  1
  Al  Al160  1  0.999059  0.923010  0.643595  1
  Al  Al161  1  0.343081  0.613177  0.615235  1
  Al  Al162  1  0.499059  0.923010  0.643595  1
  Al  Al163  1  0.933053  0.132336  0.660939  1
  Al  Al164  1  0.433053  0.132336  0.660939  1
  Al  Al165  1  0.357037  0.473391  0.647151  1
  Al  Al166  1  0.510802  0.775926  0.672581  1
  Al  Al167  1  0.857037  0.473391  0.647151  1
  Al  Al168  1  0.010802  0.775926  0.672581  1
  Al  Al169  1  0.364596  0.326671  0.676312  1
  Al  Al170  1  0.864596  0.326671  0.676312  1
  Al  Al171  1  0.792683  0.673345  0.665237  1
  Al  Al172  1  0.211531  0.017293  0.650986  1
  Al  Al173  1  0.292683  0.673345  0.665237  1
  Al  Al174  1  0.711531  0.017293  0.650986  1
  Al  Al175  1  0.152119  0.233874  0.670790  1
  Al  Al176  1  0.652119  0.233874  0.670790  1
  Al  Al177  1  0.574935  0.579577  0.657049  1
  Al  Al178  1  0.725572  0.889550  0.684683  1
  Al  Al179  1  0.074935  0.579577  0.657049  1
  Al  Al180  1  0.225572  0.889550  0.684683  1
  Al  Al181  1  0.652907  0.078807  0.704173  1
  Al  Al182  1  0.152907  0.078807  0.704173  1
  Al  Al183  1  0.094037  0.446974  0.691010  1
  Al  Al184  1  0.249509  0.748636  0.717753  1
  Al  Al185  1  0.594037  0.446974  0.691010  1
  Al  Al186  1  0.749509  0.748636  0.717753  1
  Al  Al187  1  0.088879  0.297508  0.714813  1
  Al  Al188  1  0.588879  0.297508  0.714813  1
  Al  Al189  1  0.527191  0.636209  0.705981  1
  Al  Al190  1  0.936944  0.984716  0.689458  1
  Al  Al191  1  0.027191  0.636209  0.705981  1
  Al  Al192  1  0.436944  0.984716  0.689458  1
  Al  Al193  1  0.875644  0.199638  0.711469  1
  Al  Al194  1  0.375644  0.199638  0.711469  1
  Al  Al195  1  0.309827  0.548570  0.698237  1
  Al  Al196  1  0.494833  0.874911  0.717012  1
  Al  Al197  1  0.809827  0.548570  0.698237  1
  Al  Al198  1  0.994833  0.874911  0.717012  1
  Ni  Ni199  1  0.684484  0.475205  0.290054  1
  Ni  Ni200  1  0.184484  0.475205  0.290054  1
  Ni  Ni201  1  0.122889  0.823265  0.278028  1
  Ni  Ni202  1  0.273240  0.135100  0.303805  1
  Ni  Ni203  1  0.622889  0.823265  0.278028  1
  Ni  Ni204  1  0.773240  0.135100  0.303805  1
  Ni  Ni205  1  0.641905  0.700814  0.308477  1
  Ni  Ni206  1  0.141905  0.700814  0.308477  1
  Ni  Ni207  1  0.065768  0.041756  0.295340  1
  Ni  Ni208  1  0.481898  0.390670  0.282855  1
  Ni  Ni209  1  0.565768  0.041756  0.295340  1
  Ni  Ni210  1  0.981898  0.390670  0.282855  1
  Ni  Ni211  1  0.423025  0.446999  0.330313  1
  Ni  Ni212  1  0.923025  0.446999  0.330313  1
  Ni  Ni213  1  0.849784  0.789951  0.319193  1
  Ni  Ni214  1  0.006127  0.101281  0.344579  1
  Ni  Ni215  1  0.349784  0.789951  0.319193  1
  Ni  Ni216  1  0.506127  0.101281  0.344579  1
  Ni  Ni217  1  0.368614  0.662308  0.350255  1
  Ni  Ni218  1  0.868614  0.662308  0.350255  1
  Ni  Ni219  1  0.798848  0.010996  0.335577  1
  Ni  Ni220  1  0.215127  0.354099  0.323181  1
  Ni  Ni221  1  0.298848  0.010996  0.335577  1
  Ni  Ni222  1  0.715127  0.354099  0.323181  1
  Ni  Ni223  1  0.160525  0.412549  0.373360  1
  Ni  Ni224  1  0.660525  0.412549  0.373360  1
  Ni  Ni225  1  0.580675  0.756576  0.357597  1
  Ni  Ni226  1  0.738932  0.068057  0.386493  1
  Ni  Ni227  1  0.080675  0.756576  0.357597  1
  Ni  Ni228  1  0.238932  0.068057  0.386493  1
  Ni  Ni229  1  0.100775  0.627622  0.392173  1
  Ni  Ni230  1  0.600775  0.627622  0.392173  1
  Ni  Ni231  1  0.525126  0.972899  0.378197  1
  Ni  Ni232  1  0.946075  0.317472  0.364717  1
  Ni  Ni233  1  0.025126  0.972899  0.378197  1
  Ni  Ni234  1  0.446075  0.317472  0.364717  1
  Ni  Ni235  1  0.892560  0.378428  0.414401  1
  Ni  Ni236  1  0.392560  0.378428  0.414401  1
  Ni  Ni237  1  0.315043  0.723329  0.400408  1
  Ni  Ni238  1  0.471324  0.033997  0.428107  1
  Ni  Ni239  1  0.815043  0.723329  0.400408  1
  Ni  Ni240  1  0.971324  0.033997  0.428107  1
  Ni  Ni241  1  0.834744  0.594419  0.433802  1
  Ni  Ni242  1  0.334744  0.594419  0.433802  1
  Ni  Ni243  1  0.257423  0.938808  0.419410  1
  Ni  Ni244  1  0.678936  0.283545  0.405893  1
  Ni  Ni245  1  0.757423  0.938808  0.419410  1
  Ni  Ni246  1  0.178936  0.283545  0.405893  1
  Ni  Ni247  1  0.625584  0.344283  0.456473  1
  Ni  Ni248  1  0.125584  0.344283  0.456473  1
  Ni  Ni249  1  0.048016  0.689248  0.442115  1
  Ni  Ni250  1  0.203648  0.999748  0.470090  1
  Ni  Ni251  1  0.548016  0.689248  0.442115  1
  Ni  Ni252  1  0.703648  0.999748  0.470090  1
  Ni  Ni253  1  0.567541  0.560041  0.475754  1
  Ni  Ni254  1  0.067541  0.560041  0.475754  1
  Ni  Ni255  1  0.990329  0.904874  0.461560  1
  Ni  Ni256  1  0.412055  0.249180  0.447961  1
  Ni  Ni257  1  0.490329  0.904874  0.461560  1
  Ni  Ni258  1  0.912055  0.249180  0.447961  1
  Ni  Ni259  1  0.358243  0.310174  0.498187  1
  Ni  Ni260  1  0.858243  0.310174  0.498187  1
  Ni  Ni261  1  0.780745  0.654960  0.484168  1
  Ni  Ni262  1  0.936236  0.965693  0.511850  1
  Ni  Ni263  1  0.280745  0.654960  0.484168  1
  Ni  Ni264  1  0.436236  0.965693  0.511850  1
  Ni  Ni265  1  0.300430  0.525982  0.517585  1
  Ni  Ni266  1  0.800430  0.525982  0.517585  1
  Ni  Ni267  1  0.723076  0.870890  0.503396  1
  Ni  Ni268  1  0.145131  0.215389  0.489747  1
  Ni  Ni269  1  0.223076  0.870890  0.503396  1
  Ni  Ni270  1  0.645131  0.215389  0.489747  1
  Ni  Ni271  1  0.091071  0.276220  0.540075  1
  Ni  Ni272  1  0.591071  0.276220  0.540075  1
  Ni  Ni273  1  0.513579  0.620832  0.525995  1
  Ni  Ni274  1  0.669310  0.931887  0.553623  1
  Ni  Ni275  1  0.013579  0.620832  0.525995  1
  Ni  Ni276  1  0.169310  0.931887  0.553623  1
  Ni  Ni277  1  0.033084  0.491675  0.559564  1
  Ni  Ni278  1  0.533084  0.491675  0.559564  1
  Ni  Ni279  1  0.455747  0.836782  0.545120  1
  Ni  Ni280  1  0.877764  0.181353  0.531542  1
  Ni  Ni281  1  0.955747  0.836782  0.545120  1
  Ni  Ni282  1  0.377764  0.181353  0.531542  1
  Ni  Ni283  1  0.824019  0.242337  0.582146  1
  Ni  Ni284  1  0.324019  0.242337  0.582146  1
  Ni  Ni285  1  0.246540  0.586607  0.567914  1
  Ni  Ni286  1  0.402589  0.897628  0.595667  1
  Ni  Ni287  1  0.746540  0.586607  0.567914  1
  Ni  Ni288  1  0.902589  0.897628  0.595667  1
  Ni  Ni289  1  0.765713  0.457256  0.601511  1
  Ni  Ni290  1  0.265713  0.457256  0.601511  1
  Ni  Ni291  1  0.188729  0.802551  0.587183  1
  Ni  Ni292  1  0.610109  0.147169  0.573469  1
  Ni  Ni293  1  0.688729  0.802551  0.587183  1
  Ni  Ni294  1  0.110109  0.147169  0.573469  1
  Ni  Ni295  1  0.556812  0.208712  0.623492  1
  Ni  Ni296  1  0.056812  0.208712  0.623492  1
  Ni  Ni297  1  0.980120  0.552987  0.609652  1
  Ni  Ni298  1  0.135260  0.863432  0.636787  1
  Ni  Ni299  1  0.480120  0.552987  0.609652  1
  Ni  Ni300  1  0.635260  0.863432  0.636787  1
  Ni  Ni301  1  0.501398  0.424770  0.643827  1
  Ni  Ni302  1  1.001398  0.424770  0.643827  1
  Ni  Ni303  1  0.920744  0.768477  0.628169  1
  Ni  Ni304  1  0.342550  0.113098  0.615112  1
  Ni  Ni305  1  0.420744  0.768477  0.628169  1
  Ni  Ni306  1  0.842550  0.113098  0.615112  1
  Ni  Ni307  1  0.281929  0.169249  0.665783  1
  Ni  Ni308  1  0.781929  0.169249  0.665783  1
  Ni  Ni309  1  0.712298  0.518740  0.651383  1
  Ni  Ni310  1  0.866126  0.826998  0.678398  1
  Ni  Ni311  1  0.212298  0.518740  0.651383  1
  Ni  Ni312  1  0.366126  0.826998  0.678398  1
  Ni  Ni313  1  0.234655  0.391962  0.684460  1
  Ni  Ni314  1  0.734655  0.391962  0.684460  1
  Ni  Ni315  1  0.658459  0.734331  0.671104  1
  Ni  Ni316  1  0.075289  0.080061  0.656898  1
  Ni  Ni317  1  0.158459  0.734331  0.671104  1
  Ni  Ni318  1  0.575289  0.080061  0.656898  1
  Ni  Ni319  1  0.015463  0.138756  0.706196  1
  Ni  Ni320  1  0.515463  0.138756  0.706196  1
  Ni  Ni321  1  0.438545  0.480216  0.693140  1
  Ni  Ni322  1  0.599344  0.790457  0.718728  1
  Ni  Ni323  1  0.938545  0.480216  0.693140  1
  Ni  Ni324  1  0.099344  0.790457  0.718728  1
  Ni  Ni325  1  0.950322  0.357511  0.722878  1
  Ni  Ni326  1  0.450322  0.357511  0.722878  1
  Ni  Ni327  1  0.397433  0.707345  0.711514  1
  Ni  Ni328  1  0.807996  0.045951  0.697579  1
  Ni  Ni329  1  0.897433  0.707345  0.711514  1
  Ni  Ni330  1  0.307996  0.045951  0.697579  1
