# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.82406501
_cell_length_b   16.76596187
_cell_length_c   46.41710062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.37153702
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al198 Ni132'
_cell_volume   9799.58304305
_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  0.329125  0.436176  0.284484  1
  Al  Al2  1  0.829125  0.436176  0.284484  1
  Al  Al3  1  0.765870  0.785415  0.272990  1
  Al  Al4  1  0.922517  0.095625  0.298420  1
  Al  Al5  1  0.265870  0.785415  0.272990  1
  Al  Al6  1  0.422517  0.095625  0.298420  1
  Al  Al7  1  0.769382  0.636395  0.304228  1
  Al  Al8  1  0.269382  0.636395  0.304228  1
  Al  Al9  1  0.201200  0.982174  0.290323  1
  Al  Al10  1  0.592659  0.318936  0.281807  1
  Al  Al11  1  0.701200  0.982174  0.290323  1
  Al  Al12  1  0.092659  0.318936  0.281807  1
  Al  Al13  1  0.553093  0.551047  0.294680  1
  Al  Al14  1  0.053093  0.551047  0.294680  1
  Al  Al15  1  0.984027  0.884096  0.284228  1
  Al  Al16  1  0.141092  0.195246  0.311043  1
  Al  Al17  1  0.484027  0.884096  0.284228  1
  Al  Al18  1  0.641092  0.195246  0.311043  1
  Al  Al19  1  0.070767  0.406387  0.330597  1
  Al  Al20  1  0.570767  0.406387  0.330597  1
  Al  Al21  1  0.486986  0.738399  0.313297  1
  Al  Al22  1  0.648370  0.052440  0.343037  1
  Al  Al23  1  0.986986  0.738399  0.313297  1
  Al  Al24  1  0.148370  0.052440  0.343037  1
  Al  Al25  1  0.505342  0.603788  0.346521  1
  Al  Al26  1  0.005342  0.603788  0.346521  1
  Al  Al27  1  0.929133  0.949783  0.332400  1
  Al  Al28  1  0.355810  0.293488  0.316947  1
  Al  Al29  1  0.429133  0.949783  0.332400  1
  Al  Al30  1  0.855810  0.293488  0.316947  1
  Al  Al31  1  0.288785  0.506533  0.337297  1
  Al  Al32  1  0.788785  0.506533  0.337297  1
  Al  Al33  1  0.714922  0.853532  0.325773  1
  Al  Al34  1  0.868512  0.162212  0.351612  1
  Al  Al35  1  0.214922  0.853532  0.325773  1
  Al  Al36  1  0.368512  0.162212  0.351612  1
  Al  Al37  1  0.803041  0.365194  0.368424  1
  Al  Al38  1  0.303041  0.365194  0.368424  1
  Al  Al39  1  0.223085  0.708766  0.355893  1
  Al  Al40  1  0.380380  0.021163  0.383059  1
  Al  Al41  1  0.723085  0.708766  0.355893  1
  Al  Al42  1  0.880380  0.021163  0.383059  1
  Al  Al43  1  0.237545  0.569769  0.388080  1
  Al  Al44  1  0.737545  0.569769  0.388080  1
  Al  Al45  1  0.660973  0.915669  0.374475  1
  Al  Al46  1  0.083737  0.261240  0.359354  1
  Al  Al47  1  0.160973  0.915669  0.374475  1
  Al  Al48  1  0.583737  0.261240  0.359354  1
  Al  Al49  1  0.019723  0.471960  0.379472  1
  Al  Al50  1  0.519723  0.471960  0.379472  1
  Al  Al51  1  0.444503  0.816591  0.364815  1
  Al  Al52  1  0.599146  0.127768  0.392496  1
  Al  Al53  1  0.944503  0.816591  0.364815  1
  Al  Al54  1  0.099146  0.127768  0.392496  1
  Al  Al55  1  0.535134  0.331382  0.411481  1
  Al  Al56  1  0.035134  0.331382  0.411481  1
  Al  Al57  1  0.957617  0.676434  0.397339  1
  Al  Al58  1  0.113566  0.987715  0.425640  1
  Al  Al59  1  0.457617  0.676434  0.397339  1
  Al  Al60  1  0.613566  0.987715  0.425640  1
  Al  Al61  1  0.971262  0.536122  0.430166  1
  Al  Al62  1  0.471262  0.536122  0.430166  1
  Al  Al63  1  0.393518  0.880365  0.415889  1
  Al  Al64  1  0.815480  0.225272  0.402064  1
  Al  Al65  1  0.893518  0.880365  0.415889  1
  Al  Al66  1  0.315480  0.225272  0.402064  1
  Al  Al67  1  0.755630  0.437956  0.421196  1
  Al  Al68  1  0.255630  0.437956  0.421196  1
  Al  Al69  1  0.176788  0.782572  0.406715  1
  Al  Al70  1  0.333433  0.093363  0.435208  1
  Al  Al71  1  0.676788  0.782572  0.406715  1
  Al  Al72  1  0.833433  0.093363  0.435208  1
  Al  Al73  1  0.268294  0.297414  0.453338  1
  Al  Al74  1  0.768294  0.297414  0.453338  1
  Al  Al75  1  0.691009  0.642772  0.439552  1
  Al  Al76  1  0.846398  0.952679  0.467392  1
  Al  Al77  1  0.191009  0.642772  0.439552  1
  Al  Al78  1  0.346398  0.952679  0.467392  1
  Al  Al79  1  0.704352  0.501925  0.471830  1
  Al  Al80  1  0.204352  0.501925  0.471830  1
  Al  Al81  1  0.127242  0.846733  0.457763  1
  Al  Al82  1  0.549966  0.191511  0.443638  1
  Al  Al83  1  0.627242  0.846733  0.457763  1
  Al  Al84  1  0.049966  0.191511  0.443638  1
  Al  Al85  1  0.487503  0.403634  0.462861  1
  Al  Al86  1  0.987503  0.403634  0.462861  1
  Al  Al87  1  0.910287  0.748552  0.449003  1
  Al  Al88  1  0.065186  0.059028  0.476895  1
  Al  Al89  1  0.410287  0.748552  0.449003  1
  Al  Al90  1  0.565186  0.059028  0.476895  1
  Al  Al91  1  1.001414  0.263258  0.495352  1
  Al  Al92  1  0.501414  0.263258  0.495352  1
  Al  Al93  1  0.423799  0.608175  0.481406  1
  Al  Al94  1  0.579170  0.918678  0.509379  1
  Al  Al95  1  0.923799  0.608175  0.481406  1
  Al  Al96  1  0.079170  0.918678  0.509379  1
  Al  Al97  1  0.437542  0.467522  0.513816  1
  Al  Al98  1  0.937542  0.467522  0.513816  1
  Al  Al99  1  0.859826  0.812332  0.499880  1
  Al  Al100  1  0.281808  0.157066  0.485853  1
  Al  Al101  1  0.359826  0.812332  0.499880  1
  Al  Al102  1  0.781808  0.157066  0.485853  1
  Al  Al103  1  0.220729  0.369588  0.504865  1
  Al  Al104  1  0.720729  0.369588  0.504865  1
  Al  Al105  1  0.642981  0.714358  0.490975  1
  Al  Al106  1  0.798765  0.024863  0.518869  1
  Al  Al107  1  0.142981  0.714358  0.490975  1
  Al  Al108  1  0.298765  0.024863  0.518869  1
  Al  Al109  1  0.734179  0.229345  0.537340  1
  Al  Al110  1  0.234179  0.229345  0.537340  1
  Al  Al111  1  0.156684  0.573678  0.523389  1
  Al  Al112  1  0.312270  0.884465  0.551388  1
  Al  Al113  1  0.656684  0.573678  0.523389  1
  Al  Al114  1  0.812270  0.884465  0.551388  1
  Al  Al115  1  0.170260  0.433354  0.555775  1
  Al  Al116  1  0.670260  0.433354  0.555775  1
  Al  Al117  1  0.593045  0.778253  0.541898  1
  Al  Al118  1  0.015411  0.122914  0.527801  1
  Al  Al119  1  0.093045  0.778253  0.541898  1
  Al  Al120  1  0.515411  0.122914  0.527801  1
  Al  Al121  1  0.953335  0.335200  0.547007  1
  Al  Al122  1  0.453335  0.335200  0.547007  1
  Al  Al123  1  0.376145  0.679951  0.532943  1
  Al  Al124  1  0.530621  0.990431  0.561062  1
  Al  Al125  1  0.876145  0.679951  0.532943  1
  Al  Al126  1  0.030621  0.990431  0.561062  1
  Al  Al127  1  0.466901  0.194002  0.579032  1
  Al  Al128  1  0.966901  0.194002  0.579032  1
  Al  Al129  1  0.889439  0.539094  0.565246  1
  Al  Al130  1  0.045502  0.850574  0.593253  1
  Al  Al131  1  0.389439  0.539094  0.565246  1
  Al  Al132  1  0.545502  0.850574  0.593253  1
  Al  Al133  1  0.903457  0.399289  0.598104  1
  Al  Al134  1  0.403457  0.399289  0.598104  1
  Al  Al135  1  0.324941  0.743961  0.583543  1
  Al  Al136  1  0.747091  0.088565  0.569496  1
  Al  Al137  1  0.824941  0.743961  0.583543  1
  Al  Al138  1  0.247091  0.088565  0.569496  1
  Al  Al139  1  0.686893  0.301659  0.588925  1
  Al  Al140  1  0.186893  0.301659  0.588925  1
  Al  Al141  1  0.109265  0.645735  0.574628  1
  Al  Al142  1  0.265242  0.956661  0.602616  1
  Al  Al143  1  0.609265  0.645735  0.574628  1
  Al  Al144  1  0.765242  0.956661  0.602616  1
  Al  Al145  1  0.200379  0.160914  0.621621  1
  Al  Al146  1  0.700379  0.160914  0.621621  1
  Al  Al147  1  0.622918  0.505276  0.607493  1
  Al  Al148  1  0.777702  0.816776  0.636288  1
  Al  Al149  1  0.122918  0.505276  0.607493  1
  Al  Al150  1  0.277702  0.816776  0.636288  1
  Al  Al151  1  0.636525  0.365618  0.640297  1
  Al  Al152  1  0.136525  0.365618  0.640297  1
  Al  Al153  1  0.060737  0.709859  0.625311  1
  Al  Al154  1  0.481627  0.054177  0.612192  1
  Al  Al155  1  0.560737  0.709859  0.625311  1
  Al  Al156  1  0.981627  0.054177  0.612192  1
  Al  Al157  1  0.420336  0.266234  0.630126  1
  Al  Al158  1  0.920336  0.266234  0.630126  1
  Al  Al159  1  0.842822  0.612118  0.616706  1
  Al  Al160  1  0.996840  0.920737  0.645383  1
  Al  Al161  1  0.342822  0.612118  0.616706  1
  Al  Al162  1  0.496840  0.920737  0.645383  1
  Al  Al163  1  0.932389  0.129230  0.661579  1
  Al  Al164  1  0.432389  0.129230  0.661579  1
  Al  Al165  1  0.357499  0.473995  0.648937  1
  Al  Al166  1  0.509940  0.776002  0.674103  1
  Al  Al167  1  0.857499  0.473995  0.648937  1
  Al  Al168  1  0.009940  0.776002  0.674103  1
  Al  Al169  1  0.363985  0.328061  0.678234  1
  Al  Al170  1  0.863985  0.328061  0.678234  1
  Al  Al171  1  0.791787  0.675354  0.667421  1
  Al  Al172  1  0.212210  0.019574  0.653059  1
  Al  Al173  1  0.291787  0.675354  0.667421  1
  Al  Al174  1  0.712210  0.019574  0.653059  1
  Al  Al175  1  0.150758  0.232022  0.672170  1
  Al  Al176  1  0.650758  0.232022  0.672170  1
  Al  Al177  1  0.575220  0.577849  0.658156  1
  Al  Al178  1  0.725101  0.888510  0.687794  1
  Al  Al179  1  0.075220  0.577849  0.658156  1
  Al  Al180  1  0.225101  0.888510  0.687794  1
  Al  Al181  1  0.658847  0.086170  0.706163  1
  Al  Al182  1  0.158847  0.086170  0.706163  1
  Al  Al183  1  0.091444  0.443022  0.691225  1
  Al  Al184  1  0.250543  0.745100  0.720164  1
  Al  Al185  1  0.591444  0.443022  0.691225  1
  Al  Al186  1  0.750543  0.745100  0.720164  1
  Al  Al187  1  0.098117  0.300266  0.720321  1
  Al  Al188  1  0.598117  0.300266  0.720321  1
  Al  Al189  1  0.526472  0.631404  0.709363  1
  Al  Al190  1  0.940080  0.987020  0.693749  1
  Al  Al191  1  0.026472  0.631404  0.709363  1
  Al  Al192  1  0.440080  0.987020  0.693749  1
  Al  Al193  1  0.881858  0.200329  0.713604  1
  Al  Al194  1  0.381858  0.200329  0.713604  1
  Al  Al195  1  0.309361  0.545492  0.700920  1
  Al  Al196  1  0.487625  0.862997  0.723006  1
  Al  Al197  1  0.809361  0.545492  0.700920  1
  Al  Al198  1  0.987625  0.862997  0.723006  1
  Ni  Ni199  1  0.679130  0.476656  0.291561  1
  Ni  Ni200  1  0.179130  0.476656  0.291561  1
  Ni  Ni201  1  0.120678  0.824144  0.280904  1
  Ni  Ni202  1  0.269233  0.131466  0.305952  1
  Ni  Ni203  1  0.620678  0.824144  0.280904  1
  Ni  Ni204  1  0.769233  0.131466  0.305952  1
  Ni  Ni205  1  0.640711  0.705364  0.309847  1
  Ni  Ni206  1  0.140711  0.705364  0.309847  1
  Ni  Ni207  1  0.065850  0.042103  0.297832  1
  Ni  Ni208  1  0.484505  0.399722  0.285605  1
  Ni  Ni209  1  0.565850  0.042103  0.297832  1
  Ni  Ni210  1  0.984505  0.399722  0.285605  1
  Ni  Ni211  1  0.423163  0.446928  0.329634  1
  Ni  Ni212  1  0.923163  0.446928  0.329634  1
  Ni  Ni213  1  0.845904  0.789771  0.319064  1
  Ni  Ni214  1  0.004796  0.101516  0.344870  1
  Ni  Ni215  1  0.345904  0.789771  0.319064  1
  Ni  Ni216  1  0.504796  0.101516  0.344870  1
  Ni  Ni217  1  0.367008  0.663855  0.351453  1
  Ni  Ni218  1  0.867008  0.663855  0.351453  1
  Ni  Ni219  1  0.796705  0.013178  0.336257  1
  Ni  Ni220  1  0.213674  0.355697  0.322772  1
  Ni  Ni221  1  0.296705  0.013178  0.336257  1
  Ni  Ni222  1  0.713674  0.355697  0.322772  1
  Ni  Ni223  1  0.161152  0.412403  0.374703  1
  Ni  Ni224  1  0.661152  0.412403  0.374703  1
  Ni  Ni225  1  0.579717  0.756657  0.359012  1
  Ni  Ni226  1  0.738037  0.068150  0.388353  1
  Ni  Ni227  1  0.079717  0.756657  0.359012  1
  Ni  Ni228  1  0.238037  0.068150  0.388353  1
  Ni  Ni229  1  0.100954  0.629583  0.393720  1
  Ni  Ni230  1  0.600954  0.629583  0.393720  1
  Ni  Ni231  1  0.523069  0.974019  0.379814  1
  Ni  Ni232  1  0.945203  0.318716  0.365682  1
  Ni  Ni233  1  0.023069  0.974019  0.379814  1
  Ni  Ni234  1  0.445203  0.318716  0.365682  1
  Ni  Ni235  1  0.890471  0.377462  0.415313  1
  Ni  Ni236  1  0.390471  0.377462  0.415313  1
  Ni  Ni237  1  0.313907  0.722467  0.401581  1
  Ni  Ni238  1  0.469060  0.033103  0.429286  1
  Ni  Ni239  1  0.813907  0.722467  0.401581  1
  Ni  Ni240  1  0.969060  0.033103  0.429286  1
  Ni  Ni241  1  0.834766  0.596316  0.435300  1
  Ni  Ni242  1  0.334766  0.596316  0.435300  1
  Ni  Ni243  1  0.257893  0.941284  0.421290  1
  Ni  Ni244  1  0.680150  0.286329  0.406792  1
  Ni  Ni245  1  0.757893  0.941284  0.421290  1
  Ni  Ni246  1  0.180150  0.286329  0.406792  1
  Ni  Ni247  1  0.624372  0.343759  0.457534  1
  Ni  Ni248  1  0.124372  0.343759  0.457534  1
  Ni  Ni249  1  0.046794  0.688684  0.443480  1
  Ni  Ni250  1  0.202403  0.998982  0.471621  1
  Ni  Ni251  1  0.546794  0.688684  0.443480  1
  Ni  Ni252  1  0.702403  0.998982  0.471621  1
  Ni  Ni253  1  0.567840  0.561911  0.477328  1
  Ni  Ni254  1  0.067840  0.561911  0.477328  1
  Ni  Ni255  1  0.990287  0.906516  0.463283  1
  Ni  Ni256  1  0.412444  0.251200  0.449344  1
  Ni  Ni257  1  0.490287  0.906516  0.463283  1
  Ni  Ni258  1  0.912444  0.251200  0.449344  1
  Ni  Ni259  1  0.357383  0.309441  0.499482  1
  Ni  Ni260  1  0.857383  0.309441  0.499482  1
  Ni  Ni261  1  0.779787  0.654268  0.485602  1
  Ni  Ni262  1  0.935213  0.964765  0.513533  1
  Ni  Ni263  1  0.279787  0.654268  0.485602  1
  Ni  Ni264  1  0.435213  0.964765  0.513533  1
  Ni  Ni265  1  0.300710  0.527600  0.519183  1
  Ni  Ni266  1  0.800710  0.527600  0.519183  1
  Ni  Ni267  1  0.723194  0.872481  0.505258  1
  Ni  Ni268  1  0.145364  0.217170  0.491185  1
  Ni  Ni269  1  0.223194  0.872481  0.505258  1
  Ni  Ni270  1  0.645364  0.217170  0.491185  1
  Ni  Ni271  1  0.090278  0.275430  0.541464  1
  Ni  Ni272  1  0.590278  0.275430  0.541464  1
  Ni  Ni273  1  0.512651  0.619956  0.527471  1
  Ni  Ni274  1  0.668137  0.930716  0.555375  1
  Ni  Ni275  1  0.012651  0.619956  0.527471  1
  Ni  Ni276  1  0.168137  0.930716  0.555375  1
  Ni  Ni277  1  0.033691  0.493165  0.561353  1
  Ni  Ni278  1  0.533691  0.493165  0.561353  1
  Ni  Ni279  1  0.456222  0.838157  0.547203  1
  Ni  Ni280  1  0.878114  0.182972  0.533083  1
  Ni  Ni281  1  0.956222  0.838157  0.547203  1
  Ni  Ni282  1  0.378114  0.182972  0.533083  1
  Ni  Ni283  1  0.822716  0.240683  0.583408  1
  Ni  Ni284  1  0.322716  0.240683  0.583408  1
  Ni  Ni285  1  0.245680  0.585544  0.569502  1
  Ni  Ni286  1  0.400534  0.895618  0.597919  1
  Ni  Ni287  1  0.745680  0.585544  0.569502  1
  Ni  Ni288  1  0.900534  0.895618  0.597919  1
  Ni  Ni289  1  0.766540  0.459390  0.603264  1
  Ni  Ni290  1  0.266540  0.459390  0.603264  1
  Ni  Ni291  1  0.190068  0.804407  0.589439  1
  Ni  Ni292  1  0.611595  0.148926  0.575417  1
  Ni  Ni293  1  0.690068  0.804407  0.589439  1
  Ni  Ni294  1  0.111595  0.148926  0.575417  1
  Ni  Ni295  1  0.557696  0.207988  0.624836  1
  Ni  Ni296  1  0.057696  0.207988  0.624836  1
  Ni  Ni297  1  0.979588  0.552255  0.611043  1
  Ni  Ni298  1  0.135553  0.863206  0.639014  1
  Ni  Ni299  1  0.479588  0.552255  0.611043  1
  Ni  Ni300  1  0.635553  0.863206  0.639014  1
  Ni  Ni301  1  0.500194  0.425165  0.645584  1
  Ni  Ni302  1  1.000194  0.425165  0.645584  1
  Ni  Ni303  1  0.919458  0.769514  0.630011  1
  Ni  Ni304  1  0.342497  0.113711  0.616339  1
  Ni  Ni305  1  0.419458  0.769514  0.630011  1
  Ni  Ni306  1  0.842497  0.113711  0.616339  1
  Ni  Ni307  1  0.283842  0.168611  0.668245  1
  Ni  Ni308  1  0.783842  0.168611  0.668245  1
  Ni  Ni309  1  0.713370  0.518112  0.653514  1
  Ni  Ni310  1  0.866749  0.826209  0.682026  1
  Ni  Ni311  1  0.213370  0.518112  0.653514  1
  Ni  Ni312  1  0.366749  0.826209  0.682026  1
  Ni  Ni313  1  0.236763  0.393167  0.686535  1
  Ni  Ni314  1  0.736763  0.393167  0.686535  1
  Ni  Ni315  1  0.657397  0.735143  0.674940  1
  Ni  Ni316  1  0.076140  0.080387  0.659817  1
  Ni  Ni317  1  0.157397  0.735143  0.674940  1
  Ni  Ni318  1  0.576140  0.080387  0.659817  1
  Ni  Ni319  1  0.016338  0.140574  0.706746  1
  Ni  Ni320  1  0.516338  0.140574  0.706746  1
  Ni  Ni321  1  0.435989  0.475034  0.695382  1
  Ni  Ni322  1  0.595871  0.782323  0.719084  1
  Ni  Ni323  1  0.935989  0.475034  0.695382  1
  Ni  Ni324  1  0.095871  0.782323  0.719084  1
  Ni  Ni325  1  0.953335  0.358457  0.723137  1
  Ni  Ni326  1  0.453335  0.358457  0.723137  1
  Ni  Ni327  1  0.401079  0.705711  0.713004  1
  Ni  Ni328  1  0.811862  0.050498  0.698699  1
  Ni  Ni329  1  0.901079  0.705711  0.713004  1
  Ni  Ni330  1  0.311862  0.050498  0.698699  1
