# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29975997
_cell_length_b   17.99033269
_cell_length_c   45.89458474
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al162 Ni162'
_cell_volume   8372.2336459
_cell_formula_units_Z   162
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  0.890183  0.641699  0.274365  1
  Al  Al2  1  0.409386  0.437253  0.322093  1
  Al  Al3  1  0.509546  0.632802  0.289139  1
  Al  Al4  1  0.741955  0.103708  0.322182  1
  Al  Al5  1  0.847818  0.296965  0.289351  1
  Al  Al6  1  0.786542  0.454372  0.304478  1
  Al  Al7  1  0.215965  0.305660  0.275264  1
  Al  Al8  1  0.178605  0.464503  0.289163  1
  Al  Al9  1  0.123503  0.617429  0.306713  1
  Al  Al10  1  0.544621  0.970875  0.275016  1
  Al  Al11  1  0.511506  0.130593  0.289029  1
  Al  Al12  1  0.454351  0.287423  0.305110  1
  Al  Al13  1  0.840201  0.800273  0.288558  1
  Al  Al14  1  0.789028  0.953416  0.304632  1
  Al  Al15  1  0.227608  0.810100  0.274215  1
  Al  Al16  1  0.179664  0.963335  0.289107  1
  Al  Al17  1  0.119710  0.121864  0.304538  1
  Al  Al18  1  0.454507  0.787211  0.305142  1
  Al  Al19  1  0.743229  0.605150  0.322242  1
  Al  Al20  1  0.267130  0.403555  0.373195  1
  Al  Al21  1  0.363116  0.595941  0.341030  1
  Al  Al22  1  0.600218  0.070966  0.372909  1
  Al  Al23  1  0.697148  0.261987  0.341353  1
  Al  Al24  1  0.648522  0.415873  0.356464  1
  Al  Al25  1  0.074631  0.271020  0.322857  1
  Al  Al26  1  0.029634  0.428575  0.341278  1
  Al  Al27  1  0.982064  0.582530  0.356340  1
  Al  Al28  1  0.407608  0.938106  0.323058  1
  Al  Al29  1  0.363539  0.095160  0.341335  1
  Al  Al30  1  0.315639  0.248731  0.356756  1
  Al  Al31  1  0.698077  0.761574  0.341053  1
  Al  Al32  1  0.648274  0.915749  0.356929  1
  Al  Al33  1  0.076521  0.772946  0.324975  1
  Al  Al34  1  0.030201  0.927993  0.340993  1
  Al  Al35  1  0.981865  0.082042  0.356603  1
  Al  Al36  1  0.315418  0.748535  0.356496  1
  Al  Al37  1  0.599602  0.570663  0.372782  1
  Al  Al38  1  0.123835  0.367300  0.423210  1
  Al  Al39  1  0.220503  0.558112  0.389903  1
  Al  Al40  1  0.457277  0.034288  0.423475  1
  Al  Al41  1  0.553437  0.225186  0.389585  1
  Al  Al42  1  0.504551  0.379792  0.406407  1
  Al  Al43  1  0.932705  0.237426  0.372821  1
  Al  Al44  1  0.886316  0.392161  0.389492  1
  Al  Al45  1  0.837840  0.546398  0.406327  1
  Al  Al46  1  0.267002  0.904718  0.373298  1
  Al  Al47  1  0.219469  0.058620  0.389656  1
  Al  Al48  1  0.171136  0.212963  0.406472  1
  Al  Al49  1  0.553234  0.725116  0.389650  1
  Al  Al50  1  0.504506  0.879732  0.406588  1
  Al  Al51  1  0.933179  0.737644  0.372975  1
  Al  Al52  1  0.885893  0.892138  0.389737  1
  Al  Al53  1  0.837768  0.046437  0.406396  1
  Al  Al54  1  0.171607  0.712912  0.406860  1
  Al  Al55  1  0.457274  0.533862  0.423195  1
  Al  Al56  1  0.980202  0.331605  0.473302  1
  Al  Al57  1  0.076316  0.522647  0.440255  1
  Al  Al58  1  0.313638  0.998492  0.473580  1
  Al  Al59  1  0.409836  0.189259  0.440408  1
  Al  Al60  1  0.361822  0.343486  0.456857  1
  Al  Al61  1  0.790397  0.200848  0.423163  1
  Al  Al62  1  0.742932  0.356082  0.440198  1
  Al  Al63  1  0.694925  0.510257  0.456667  1
  Al  Al64  1  0.124036  0.867817  0.423703  1
  Al  Al65  1  0.076052  0.022817  0.440275  1
  Al  Al66  1  0.028063  0.177116  0.456689  1
  Al  Al67  1  0.409810  0.689218  0.440296  1
  Al  Al68  1  0.361697  0.843674  0.456829  1
  Al  Al69  1  0.790625  0.700590  0.423188  1
  Al  Al70  1  0.742862  0.856044  0.440326  1
  Al  Al71  1  0.694749  0.010545  0.456870  1
  Al  Al72  1  0.028270  0.676953  0.456717  1
  Al  Al73  1  0.313787  0.498027  0.473487  1
  Al  Al74  1  0.836830  0.295632  0.523716  1
  Al  Al75  1  0.932708  0.486325  0.490108  1
  Al  Al76  1  0.170261  0.962389  0.523714  1
  Al  Al77  1  0.265925  0.153099  0.490273  1
  Al  Al78  1  0.218144  0.307515  0.506915  1
  Al  Al79  1  0.646994  0.165110  0.473530  1
  Al  Al80  1  0.599497  0.319662  0.490321  1
  Al  Al81  1  0.551729  0.474029  0.507021  1
  Al  Al82  1  0.980180  0.831690  0.473429  1
  Al  Al83  1  0.932447  0.986555  0.490220  1
  Al  Al84  1  0.884527  0.141111  0.506947  1
  Al  Al85  1  0.266216  0.652874  0.490271  1
  Al  Al86  1  0.218204  0.807598  0.506974  1
  Al  Al87  1  0.646928  0.664824  0.473370  1
  Al  Al88  1  0.599400  0.819646  0.490235  1
  Al  Al89  1  0.551418  0.974293  0.507038  1
  Al  Al90  1  0.884824  0.640877  0.506848  1
  Al  Al91  1  0.170274  0.462088  0.523664  1
  Al  Al92  1  0.693663  0.259566  0.574187  1
  Al  Al93  1  0.789466  0.450213  0.540431  1
  Al  Al94  1  0.026566  0.925813  0.573454  1
  Al  Al95  1  0.122468  0.117184  0.540526  1
  Al  Al96  1  0.074352  0.271494  0.557091  1
  Al  Al97  1  0.503735  0.129047  0.523920  1
  Al  Al98  1  0.456314  0.283556  0.540627  1
  Al  Al99  1  0.408110  0.437974  0.557195  1
  Al  Al100  1  0.836923  0.795540  0.523677  1
  Al  Al101  1  0.789365  0.950340  0.540550  1
  Al  Al102  1  0.741195  0.104773  0.557263  1
  Al  Al103  1  0.122830  0.616886  0.540450  1
  Al  Al104  1  0.074597  0.771515  0.557120  1
  Al  Al105  1  0.503802  0.628604  0.523743  1
  Al  Al106  1  0.456319  0.783445  0.540542  1
  Al  Al107  1  0.408075  0.938087  0.557179  1
  Al  Al108  1  0.741334  0.604697  0.557096  1
  Al  Al109  1  0.026729  0.425728  0.573401  1
  Al  Al110  1  0.550591  0.223926  0.624761  1
  Al  Al111  1  0.646145  0.414396  0.591125  1
  Al  Al112  1  0.883082  0.889940  0.624546  1
  Al  Al113  1  0.978955  0.081242  0.590563  1
  Al  Al114  1  0.930620  0.235842  0.607421  1
  Al  Al115  1  0.359981  0.092795  0.573762  1
  Al  Al116  1  0.312447  0.247851  0.590747  1
  Al  Al117  1  0.265097  0.401893  0.607271  1
  Al  Al118  1  0.693331  0.759056  0.573585  1
  Al  Al119  1  0.645943  0.914442  0.590745  1
  Al  Al120  1  0.598194  0.068676  0.607393  1
  Al  Al121  1  0.979253  0.581294  0.590547  1
  Al  Al122  1  0.931615  0.735668  0.607211  1
  Al  Al123  1  0.360014  0.592212  0.573416  1
  Al  Al124  1  0.312368  0.748100  0.590536  1
  Al  Al125  1  0.265067  0.902192  0.607241  1
  Al  Al126  1  0.599003  0.568214  0.607628  1
  Al  Al127  1  0.882953  0.390212  0.624426  1
  Al  Al128  1  0.406449  0.187096  0.672353  1
  Al  Al129  1  0.503624  0.377510  0.640963  1
  Al  Al130  1  0.739821  0.853261  0.672162  1
  Al  Al131  1  0.837008  0.044211  0.641166  1
  Al  Al132  1  0.786769  0.198691  0.656790  1
  Al  Al133  1  0.216486  0.056561  0.624163  1
  Al  Al134  1  0.169459  0.211567  0.641177  1
  Al  Al135  1  0.121704  0.365808  0.656654  1
  Al  Al136  1  0.550197  0.722583  0.624367  1
  Al  Al137  1  0.503742  0.877867  0.641096  1
  Al  Al138  1  0.454585  0.032477  0.657135  1
  Al  Al139  1  0.837191  0.544718  0.640658  1
  Al  Al140  1  0.787595  0.699083  0.657130  1
  Al  Al141  1  0.216323  0.556866  0.624382  1
  Al  Al142  1  0.170261  0.711408  0.640905  1
  Al  Al143  1  0.120370  0.865841  0.657009  1
  Al  Al144  1  0.453187  0.533778  0.656584  1
  Al  Al145  1  0.741116  0.355673  0.675136  1
  Al  Al146  1  0.254709  0.150487  0.723694  1
  Al  Al147  1  0.359743  0.344765  0.691641  1
  Al  Al148  1  0.588993  0.816609  0.723810  1
  Al  Al149  1  0.695085  0.011328  0.691790  1
  Al  Al150  1  0.646937  0.160092  0.708115  1
  Al  Al151  1  0.073861  0.020103  0.671548  1
  Al  Al152  1  0.029956  0.176961  0.690795  1
  Al  Al153  1  0.978329  0.328939  0.707808  1
  Al  Al154  1  0.408384  0.686808  0.671369  1
  Al  Al155  1  0.360721  0.844133  0.691238  1
  Al  Al156  1  0.314865  0.994223  0.708515  1
  Al  Al157  1  0.697227  0.508050  0.692878  1
  Al  Al158  1  0.648006  0.661623  0.708241  1
  Al  Al159  1  0.075864  0.521020  0.671125  1
  Al  Al160  1  0.028210  0.677296  0.691823  1
  Al  Al161  1  0.982383  0.827531  0.708145  1
  Al  Al162  1  0.310577  0.496494  0.707868  1
  Ni  Ni163  1  0.059545  0.728223  0.276335  1
  Ni  Ni164  1  0.572234  0.522856  0.323154  1
  Ni  Ni165  1  0.675831  0.717808  0.292143  1
  Ni  Ni166  1  0.905194  0.188433  0.323406  1
  Ni  Ni167  1  0.008875  0.384667  0.292670  1
  Ni  Ni168  1  0.961230  0.532431  0.307495  1
  Ni  Ni169  1  0.239024  0.355979  0.324211  1
  Ni  Ni170  1  0.342916  0.550893  0.292359  1
  Ni  Ni171  1  0.289138  0.700496  0.307091  1
  Ni  Ni172  1  0.572910  0.022129  0.323927  1
  Ni  Ni173  1  0.676158  0.217189  0.292770  1
  Ni  Ni174  1  0.628330  0.366219  0.307529  1
  Ni  Ni175  1  0.011824  0.879731  0.292145  1
  Ni  Ni176  1  0.961688  0.032921  0.307514  1
  Ni  Ni177  1  0.240580  0.856439  0.324309  1
  Ni  Ni178  1  0.340631  0.051224  0.292720  1
  Ni  Ni179  1  0.295372  0.199192  0.308017  1
  Ni  Ni180  1  0.626337  0.866560  0.308264  1
  Ni  Ni181  1  0.909054  0.691085  0.323260  1
  Ni  Ni182  1  0.433829  0.486257  0.372670  1
  Ni  Ni183  1  0.530242  0.679225  0.339359  1
  Ni  Ni184  1  0.767495  0.152728  0.372771  1
  Ni  Ni185  1  0.862388  0.346286  0.339291  1
  Ni  Ni186  1  0.813777  0.499331  0.355879  1
  Ni  Ni187  1  0.100621  0.319398  0.372913  1
  Ni  Ni188  1  0.197700  0.510793  0.339887  1
  Ni  Ni189  1  0.147955  0.665165  0.356877  1
  Ni  Ni190  1  0.434432  0.986726  0.373205  1
  Ni  Ni191  1  0.529677  0.179151  0.339229  1
  Ni  Ni192  1  0.480863  0.332173  0.356133  1
  Ni  Ni193  1  0.861543  0.846250  0.339286  1
  Ni  Ni194  1  0.813963  0.998582  0.356006  1
  Ni  Ni195  1  0.101796  0.820565  0.373992  1
  Ni  Ni196  1  0.195426  0.012668  0.339247  1
  Ni  Ni197  1  0.147203  0.165429  0.356140  1
  Ni  Ni198  1  0.480727  0.832021  0.356231  1
  Ni  Ni199  1  0.767474  0.652771  0.372734  1
  Ni  Ni200  1  0.290216  0.450733  0.423372  1
  Ni  Ni201  1  0.386511  0.642178  0.390493  1
  Ni  Ni202  1  0.623505  0.117816  0.423229  1
  Ni  Ni203  1  0.719782  0.309281  0.390451  1
  Ni  Ni204  1  0.671581  0.463078  0.406436  1
  Ni  Ni205  1  0.956516  0.284475  0.423042  1
  Ni  Ni206  1  0.053360  0.475764  0.390499  1
  Ni  Ni207  1  0.005202  0.629594  0.406456  1
  Ni  Ni208  1  0.290255  0.951436  0.423415  1
  Ni  Ni209  1  0.386740  0.142174  0.390686  1
  Ni  Ni210  1  0.338698  0.296052  0.406740  1
  Ni  Ni211  1  0.719758  0.808846  0.390570  1
  Ni  Ni212  1  0.671312  0.963302  0.406762  1
  Ni  Ni213  1  0.956697  0.784554  0.423210  1
  Ni  Ni214  1  0.052930  0.975454  0.390493  1
  Ni  Ni215  1  0.004690  0.129777  0.406489  1
  Ni  Ni216  1  0.338242  0.796344  0.406621  1
  Ni  Ni217  1  0.623348  0.617554  0.423102  1
  Ni  Ni218  1  0.147082  0.414739  0.473450  1
  Ni  Ni219  1  0.243429  0.605588  0.440122  1
  Ni  Ni220  1  0.480480  0.081705  0.473719  1
  Ni  Ni221  1  0.576459  0.272575  0.439946  1
  Ni  Ni222  1  0.528215  0.426871  0.456771  1
  Ni  Ni223  1  0.813646  0.248305  0.473457  1
  Ni  Ni224  1  0.909702  0.439243  0.439819  1
  Ni  Ni225  1  0.861423  0.593594  0.456658  1
  Ni  Ni226  1  0.147089  0.915105  0.473661  1
  Ni  Ni227  1  0.242913  0.105913  0.439996  1
  Ni  Ni228  1  0.194819  0.260277  0.456738  1
  Ni  Ni229  1  0.576485  0.772457  0.439953  1
  Ni  Ni230  1  0.528086  0.927065  0.456861  1
  Ni  Ni231  1  0.813704  0.748133  0.473450  1
  Ni  Ni232  1  0.909265  0.939458  0.440006  1
  Ni  Ni233  1  0.861238  0.093839  0.456715  1
  Ni  Ni234  1  0.195014  0.760256  0.456952  1
  Ni  Ni235  1  0.480493  0.581283  0.473510  1
  Ni  Ni236  1  0.003527  0.378720  0.523409  1
  Ni  Ni237  1  0.099534  0.569671  0.490314  1
  Ni  Ni238  1  0.336924  0.045684  0.523709  1
  Ni  Ni239  1  0.432903  0.236359  0.490489  1
  Ni  Ni240  1  0.384910  0.390761  0.507039  1
  Ni  Ni241  1  0.670405  0.212302  0.523828  1
  Ni  Ni242  1  0.766182  0.403047  0.490282  1
  Ni  Ni243  1  0.718206  0.557486  0.506878  1
  Ni  Ni244  1  0.003502  0.878856  0.523492  1
  Ni  Ni245  1  0.099172  0.069949  0.490365  1
  Ni  Ni246  1  0.051238  0.224354  0.506893  1
  Ni  Ni247  1  0.432886  0.736288  0.490396  1
  Ni  Ni248  1  0.384855  0.890891  0.507018  1
  Ni  Ni249  1  0.670308  0.711994  0.523513  1
  Ni  Ni250  1  0.766019  0.903161  0.490394  1
  Ni  Ni251  1  0.717968  0.057714  0.507061  1
  Ni  Ni252  1  0.051500  0.724245  0.506919  1
  Ni  Ni253  1  0.336996  0.545181  0.523518  1
  Ni  Ni254  1  0.859837  0.342972  0.574002  1
  Ni  Ni255  1  0.955917  0.533737  0.540295  1
  Ni  Ni256  1  0.193224  0.009467  0.573896  1
  Ni  Ni257  1  0.289180  0.200499  0.540470  1
  Ni  Ni258  1  0.241524  0.354620  0.557058  1
  Ni  Ni259  1  0.526954  0.176371  0.574282  1
  Ni  Ni260  1  0.622887  0.366952  0.540689  1
  Ni  Ni261  1  0.575209  0.521111  0.557292  1
  Ni  Ni262  1  0.859772  0.842805  0.573998  1
  Ni  Ni263  1  0.955749  0.033889  0.540357  1
  Ni  Ni264  1  0.907539  0.188368  0.557161  1
  Ni  Ni265  1  0.289311  0.700365  0.540376  1
  Ni  Ni266  1  0.241482  0.854875  0.557025  1
  Ni  Ni267  1  0.526692  0.675626  0.574066  1
  Ni  Ni268  1  0.622675  0.867028  0.540450  1
  Ni  Ni269  1  0.574644  0.021432  0.557203  1
  Ni  Ni270  1  0.908081  0.688120  0.557004  1
  Ni  Ni271  1  0.193187  0.509273  0.573965  1
  Ni  Ni272  1  0.717423  0.307390  0.624576  1
  Ni  Ni273  1  0.813430  0.497346  0.590618  1
  Ni  Ni274  1  0.049677  0.972522  0.622910  1
  Ni  Ni275  1  0.145812  0.164477  0.590837  1
  Ni  Ni276  1  0.097408  0.318718  0.607141  1
  Ni  Ni277  1  0.383232  0.139790  0.623497  1
  Ni  Ni278  1  0.479803  0.330730  0.590871  1
  Ni  Ni279  1  0.430819  0.485312  0.607256  1
  Ni  Ni280  1  0.716345  0.805854  0.623308  1
  Ni  Ni281  1  0.813219  0.997337  0.590886  1
  Ni  Ni282  1  0.764400  0.151649  0.607374  1
  Ni  Ni283  1  0.146629  0.664161  0.590712  1
  Ni  Ni284  1  0.097710  0.818967  0.607269  1
  Ni  Ni285  1  0.382643  0.639539  0.622686  1
  Ni  Ni286  1  0.480020  0.830676  0.590828  1
  Ni  Ni287  1  0.431335  0.985323  0.607293  1
  Ni  Ni288  1  0.764762  0.652046  0.607215  1
  Ni  Ni289  1  0.049929  0.472585  0.622833  1
  Ni  Ni290  1  0.575039  0.270714  0.675461  1
  Ni  Ni291  1  0.669462  0.462341  0.641656  1
  Ni  Ni292  1  0.907434  0.936614  0.675232  1
  Ni  Ni293  1  0.002146  0.129542  0.640588  1
  Ni  Ni294  1  0.953727  0.282794  0.657439  1
  Ni  Ni295  1  0.241572  0.102240  0.674024  1
  Ni  Ni296  1  0.335677  0.295977  0.640975  1
  Ni  Ni297  1  0.290127  0.448996  0.657178  1
  Ni  Ni298  1  0.574235  0.769349  0.674126  1
  Ni  Ni299  1  0.669067  0.962772  0.641052  1
  Ni  Ni300  1  0.621569  0.115520  0.657363  1
  Ni  Ni301  1  0.002052  0.630367  0.640692  1
  Ni  Ni302  1  0.955289  0.782032  0.657444  1
  Ni  Ni303  1  0.240825  0.604700  0.674921  1
  Ni  Ni304  1  0.335759  0.796482  0.640712  1
  Ni  Ni305  1  0.289236  0.949118  0.657415  1
  Ni  Ni306  1  0.624238  0.614307  0.657915  1
  Ni  Ni307  1  0.910984  0.438275  0.674076  1
  Ni  Ni308  1  0.426082  0.231032  0.720631  1
  Ni  Ni309  1  0.525286  0.427848  0.689591  1
  Ni  Ni310  1  0.760455  0.897078  0.720531  1
  Ni  Ni311  1  0.865743  0.092469  0.690491  1
  Ni  Ni312  1  0.810283  0.243758  0.705204  1
  Ni  Ni313  1  0.087978  0.062004  0.720327  1
  Ni  Ni314  1  0.196461  0.260575  0.690419  1
  Ni  Ni315  1  0.137809  0.415736  0.705094  1
  Ni  Ni316  1  0.421560  0.728567  0.720226  1
  Ni  Ni317  1  0.531097  0.926524  0.690436  1
  Ni  Ni318  1  0.472685  0.081568  0.705799  1
  Ni  Ni319  1  0.864192  0.591984  0.690046  1
  Ni  Ni320  1  0.807021  0.748757  0.705685  1
  Ni  Ni321  1  0.083232  0.560169  0.720209  1
  Ni  Ni322  1  0.199136  0.758272  0.690320  1
  Ni  Ni323  1  0.139430  0.916114  0.705498  1
  Ni  Ni324  1  0.472204  0.582757  0.705160  1
