# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.44097415
_cell_length_b   16.77758714
_cell_length_c   46.29596653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.29715540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al216 H648'
_cell_volume   18765.5742199
_cell_formula_units_Z   216
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  0.347582  0.488656  0.347090  1
  Al  Al2  1  0.642122  0.495808  0.367480  1
  Al  Al3  1  -0.027373  0.470344  0.357427  1
  Al  Al4  1  0.347583  0.988656  0.347099  1
  Al  Al5  1  0.642117  0.995797  0.367480  1
  Al  Al6  1  -0.027369  0.970344  0.357434  1
  Al  Al7  1  0.299057  0.289134  0.382257  1
  Al  Al8  1  0.643419  0.332942  0.362660  1
  Al  Al9  1  -0.000341  0.316102  0.351215  1
  Al  Al10  1  0.299048  0.789138  0.382259  1
  Al  Al11  1  0.643391  0.832949  0.362655  1
  Al  Al12  1  -0.000341  0.816097  0.351215  1
  Al  Al13  1  0.371203  0.740501  0.342075  1
  Al  Al14  1  0.737399  0.734415  0.360618  1
  Al  Al15  1  0.057197  0.691018  0.376201  1
  Al  Al16  1  0.371186  0.240520  0.342080  1
  Al  Al17  1  0.737379  0.234423  0.360626  1
  Al  Al18  1  0.057205  0.191026  0.376197  1
  Al  Al19  1  0.396654  0.359377  0.372183  1
  Al  Al20  1  0.736516  0.397242  0.362058  1
  Al  Al21  1  0.075996  0.410869  0.346547  1
  Al  Al22  1  0.396658  0.859373  0.372186  1
  Al  Al23  1  0.736526  0.897245  0.362054  1
  Al  Al24  1  0.075996  0.910861  0.346547  1
  Al  Al25  1  0.415075  0.594228  0.350959  1
  Al  Al26  1  0.735722  0.555962  0.364100  1
  Al  Al27  1  0.046962  0.565021  0.346757  1
  Al  Al28  1  0.415048  0.094222  0.350986  1
  Al  Al29  1  0.735700  1.055968  0.364106  1
  Al  Al30  1  0.046974  1.065012  0.346755  1
  Al  Al31  1  0.307603  0.637272  0.361733  1
  Al  Al32  1  0.648432  0.666027  0.360438  1
  Al  Al33  1  -0.033464  0.612473  0.384902  1
  Al  Al34  1  0.307607  0.137274  0.361740  1
  Al  Al35  1  0.648450  0.166034  0.360449  1
  Al  Al36  1  -0.033442  0.112519  0.384886  1
  Al  Al37  1  0.300705  0.440971  0.395873  1
  Al  Al38  1  0.624754  0.413527  0.419576  1
  Al  Al39  1  -0.033638  0.420146  0.413058  1
  Al  Al40  1  0.300704  0.940965  0.395879  1
  Al  Al41  1  0.624750  0.913530  0.419587  1
  Al  Al42  1  -0.033641  0.920137  0.413060  1
  Al  Al43  1  0.284986  0.232096  0.436600  1
  Al  Al44  1  0.622773  0.251299  0.410811  1
  Al  Al45  1  -0.037137  0.264543  0.403104  1
  Al  Al46  1  0.284981  0.732096  0.436601  1
  Al  Al47  1  0.622759  0.751295  0.410808  1
  Al  Al48  1  -0.037135  0.764530  0.403103  1
  Al  Al49  1  0.388159  0.676664  0.401187  1
  Al  Al50  1  0.727493  0.651338  0.410335  1
  Al  Al51  1  0.044731  0.642089  0.430987  1
  Al  Al52  1  0.388151  0.176655  0.401193  1
  Al  Al53  1  0.727486  0.151343  0.410335  1
  Al  Al54  1  0.044731  0.142090  0.430984  1
  Al  Al55  1  0.374937  0.317774  0.427326  1
  Al  Al56  1  0.722001  0.316856  0.411411  1
  Al  Al57  1  0.066856  0.337914  0.395897  1
  Al  Al58  1  0.374935  0.817762  0.427328  1
  Al  Al59  1  0.722005  0.816852  0.411412  1
  Al  Al60  1  0.066855  0.837910  0.395898  1
  Al  Al61  1  0.396689  0.513866  0.398697  1
  Al  Al62  1  0.721027  0.479845  0.416684  1
  Al  Al63  1  0.056319  0.499921  0.401394  1
  Al  Al64  1  0.396686  1.013871  0.398700  1
  Al  Al65  1  0.721022  0.979849  0.416684  1
  Al  Al66  1  0.056312  0.999919  0.401394  1
  Al  Al67  1  0.292297  0.587390  0.415650  1
  Al  Al68  1  0.624793  0.591306  0.413451  1
  Al  Al69  1  -0.043721  0.560746  0.440892  1
  Al  Al70  1  0.292295  0.087389  0.415651  1
  Al  Al71  1  0.624801  0.091299  0.413448  1
  Al  Al72  1  -0.043721  1.060750  0.440877  1
  Al  Al73  1  0.277327  0.379524  0.455529  1
  Al  Al74  1  0.595703  0.302306  0.504918  1
  Al  Al75  1  -0.065501  0.353060  0.483341  1
  Al  Al76  1  0.277317  0.879521  0.455528  1
  Al  Al77  1  0.595680  0.802312  0.504894  1
  Al  Al78  1  -0.065497  0.853055  0.483351  1
  Al  Al79  1  0.258177  0.156852  0.504962  1
  Al  Al80  1  0.598952  0.164098  0.478838  1
  Al  Al81  1  -0.052208  0.208509  0.461746  1
  Al  Al82  1  0.258179  0.656856  0.504962  1
  Al  Al83  1  0.598946  0.664076  0.478830  1
  Al  Al84  1  -0.052206  0.708515  0.461751  1
  Al  Al85  1  0.348013  0.614097  0.466686  1
  Al  Al86  1  0.695671  0.585029  0.461523  1
  Al  Al87  1  0.005259  0.587011  0.495050  1
  Al  Al88  1  0.348012  0.114097  0.466686  1
  Al  Al89  1  0.695670  0.085024  0.461527  1
  Al  Al90  1  0.005256  0.087006  0.495047  1
  Al  Al91  1  0.333062  0.256060  0.490834  1
  Al  Al92  1  0.678038  0.253619  0.461472  1
  Al  Al93  1  0.029166  0.300179  0.448396  1
  Al  Al94  1  0.333060  0.756068  0.490831  1
  Al  Al95  1  0.678032  0.753624  0.461467  1
  Al  Al96  1  0.029166  0.800179  0.448397  1
  Al  Al97  1  0.362218  0.464456  0.450447  1
  Al  Al98  1  0.670657  0.396517  0.486077  1
  Al  Al99  1  0.016204  0.444360  0.471891  1
  Al  Al100  1  0.362213  0.964447  0.450452  1
  Al  Al101  1  0.670655  0.896532  0.486078  1
  Al  Al102  1  0.016196  0.944363  0.471886  1
  Al  Al103  1  0.268553  0.515668  0.482476  1
  Al  Al104  1  0.599579  0.513359  0.464376  1
  Al  Al105  1  0.918369  0.502330  0.501923  1
  Al  Al106  1  0.268547  1.015669  0.482477  1
  Al  Al107  1  0.599572  1.013370  0.464383  1
  Al  Al108  1  0.918371  1.002329  0.501924  1
  Al  Al109  1  0.242741  0.296944  0.529470  1
  Al  Al110  1  0.548532  0.242453  0.566900  1
  Al  Al111  1  0.899639  0.286787  0.557212  1
  Al  Al112  1  0.242740  0.796942  0.529470  1
  Al  Al113  1  0.548517  0.742450  0.566898  1
  Al  Al114  1  0.899597  0.786793  0.557207  1
  Al  Al115  1  0.217328  0.091761  0.569023  1
  Al  Al116  1  0.560821  0.088415  0.550474  1
  Al  Al117  1  0.905839  0.145923  0.527465  1
  Al  Al118  1  0.217330  0.591759  0.569023  1
  Al  Al119  1  0.560802  0.588421  0.550464  1
  Al  Al120  1  0.905836  0.645921  0.527465  1
  Al  Al121  1  0.314363  0.535466  0.538086  1
  Al  Al122  1  0.656227  0.537095  0.514159  1
  Al  Al123  1  -0.020875  0.531224  0.550805  1
  Al  Al124  1  0.314362  1.035471  0.538087  1
  Al  Al125  1  0.656224  1.037132  0.514167  1
  Al  Al126  1  -0.020877  1.031215  0.550803  1
  Al  Al127  1  0.306376  0.177163  0.561226  1
  Al  Al128  1  0.644295  0.178589  0.538800  1
  Al  Al129  1  -0.013335  0.230540  0.518899  1
  Al  Al130  1  0.306374  0.677163  0.561227  1
  Al  Al131  1  0.644282  0.678545  0.538780  1
  Al  Al132  1  -0.013335  0.730534  0.518914  1
  Al  Al133  1  0.325818  0.393377  0.515741  1
  Al  Al134  1  0.637298  0.324950  0.560367  1
  Al  Al135  1  -0.021076  0.377245  0.538167  1
  Al  Al136  1  0.325817  0.893376  0.515741  1
  Al  Al137  1  0.637243  0.824941  0.560278  1
  Al  Al138  1  -0.021081  0.877220  0.538184  1
  Al  Al139  1  0.232524  0.444864  0.548549  1
  Al  Al140  1  0.580138  0.445153  0.527563  1
  Al  Al141  1  0.883107  0.459287  0.556647  1
  Al  Al142  1  0.232522  0.944866  0.548548  1
  Al  Al143  1  0.580123  0.945193  0.527543  1
  Al  Al144  1  0.883096  0.959286  0.556645  1
  Al  Al145  1  0.204044  0.248422  0.584293  1
  Al  Al146  1  0.514732  0.198612  0.619983  1
  Al  Al147  1  0.854187  0.229172  0.609905  1
  Al  Al148  1  0.204044  0.748419  0.584296  1
  Al  Al149  1  0.514731  0.698625  0.619984  1
  Al  Al150  1  0.854204  0.729175  0.609898  1
  Al  Al151  1  0.177077  1.046169  0.620254  1
  Al  Al152  1  0.524066  1.040322  0.609415  1
  Al  Al153  1  0.856766  1.065045  0.602771  1
  Al  Al154  1  0.177082  0.546158  0.620253  1
  Al  Al155  1  0.524066  0.540336  0.609411  1
  Al  Al156  1  0.856766  0.565042  0.602774  1
  Al  Al157  1  0.280140  0.469589  0.604576  1
  Al  Al158  1  0.626326  0.469984  0.583561  1
  Al  Al159  1  -0.044859  0.454166  0.603010  1
  Al  Al160  1  0.280135  0.969592  0.604576  1
  Al  Al161  1  0.626324  0.969870  0.583581  1
  Al  Al162  1  -0.044856  0.954169  0.603006  1
  Al  Al163  1  0.280462  0.123417  0.616906  1
  Al  Al164  1  0.618618  0.121976  0.600721  1
  Al  Al165  1  -0.051835  0.135842  0.593105  1
  Al  Al166  1  0.280467  0.623416  0.616906  1
  Al  Al167  1  0.618614  0.622060  0.600718  1
  Al  Al168  1  -0.051832  0.635825  0.593113  1
  Al  Al169  1  0.295292  0.326959  0.580761  1
  Al  Al170  1  0.612043  0.273706  0.619012  1
  Al  Al171  1  -0.046616  0.292806  0.607498  1
  Al  Al172  1  0.295288  0.826957  0.580761  1
  Al  Al173  1  0.612046  0.773795  0.618999  1
  Al  Al174  1  -0.046603  0.792802  0.607483  1
  Al  Al175  1  0.188447  0.384782  0.616423  1
  Al  Al176  1  0.536096  0.390590  0.588792  1
  Al  Al177  1  0.851151  0.395968  0.607845  1
  Al  Al178  1  0.188444  0.884791  0.616421  1
  Al  Al179  1  0.536084  0.890578  0.588795  1
  Al  Al180  1  0.851164  0.895971  0.607846  1
  Al  Al181  1  0.180448  0.199792  0.637859  1
  Al  Al182  1  0.491938  0.146173  0.672331  1
  Al  Al183  1  0.845222  0.149564  0.660033  1
  Al  Al184  1  0.180455  0.699779  0.637862  1
  Al  Al185  1  0.491945  0.646163  0.672332  1
  Al  Al186  1  0.845227  0.649558  0.660028  1
  Al  Al187  1  0.163079  0.974523  0.670485  1
  Al  Al188  1  0.505860  0.991623  0.663485  1
  Al  Al189  1  0.843476  0.992983  0.654372  1
  Al  Al190  1  0.163081  0.474512  0.670486  1
  Al  Al191  1  0.505884  0.491612  0.663479  1
  Al  Al192  1  0.843462  0.492984  0.654372  1
  Al  Al193  1  0.265908  0.423181  0.659560  1
  Al  Al194  1  0.600911  0.422676  0.639980  1
  Al  Al195  1  -0.069225  0.384248  0.656181  1
  Al  Al196  1  0.265906  0.923187  0.659560  1
  Al  Al197  1  0.600882  0.922691  0.640011  1
  Al  Al198  1  -0.069212  0.884221  0.656168  1
  Al  Al199  1  0.235350  0.078679  0.666704  1
  Al  Al200  1  0.591548  1.077420  0.654979  1
  Al  Al201  1  -0.063245  1.055758  0.648078  1
  Al  Al202  1  0.235354  0.578666  0.666704  1
  Al  Al203  1  0.591554  0.577413  0.654969  1
  Al  Al204  1  -0.063261  0.555733  0.648085  1
  Al  Al205  1  0.277179  0.274184  0.635054  1
  Al  Al206  1  0.574974  0.228920  0.670202  1
  Al  Al207  1  -0.064679  0.217436  0.657381  1
  Al  Al208  1  0.277176  0.774186  0.635055  1
  Al  Al209  1  0.574977  0.728923  0.670191  1
  Al  Al210  1  -0.064675  0.717426  0.657369  1
  Al  Al211  1  0.197077  0.317598  0.671426  1
  Al  Al212  1  0.511448  0.344909  0.644165  1
  Al  Al213  1  0.840537  0.314530  0.658304  1
  Al  Al214  1  0.197070  0.817605  0.671423  1
  Al  Al215  1  0.511436  0.844911  0.644168  1
  Al  Al216  1  0.840555  0.814519  0.658302  1
  H  H217  1  0.341836  0.266575  0.295175  1
  H  H218  1  0.588351  0.261865  0.334315  1
  H  H219  1  0.019801  0.227644  0.313206  1
  H  H220  1  0.341853  0.766439  0.295171  1
  H  H221  1  0.588354  0.761856  0.334306  1
  H  H222  1  0.019793  0.727618  0.313208  1
  H  H223  1  0.413571  0.336890  0.322498  1
  H  H224  1  0.811657  0.307778  0.357804  1
  H  H225  1  0.115221  0.290989  0.327404  1
  H  H226  1  0.413517  0.836931  0.322492  1
  H  H227  1  0.811658  0.807764  0.357810  1
  H  H228  1  0.115227  0.790990  0.327400  1
  H  H229  1  0.374365  0.299850  0.296675  1
  H  H230  1  0.708337  0.331383  0.325596  1
  H  H231  1  -0.066324  0.335336  0.317376  1
  H  H232  1  0.374275  0.799859  0.296681  1
  H  H233  1  0.708324  0.831398  0.325592  1
  H  H234  1  -0.066325  0.835323  0.317378  1
  H  H235  1  0.584498  0.429437  0.336511  1
  H  H236  1  -0.069762  0.508107  0.313890  1
  H  H237  1  0.352148  0.475531  0.298903  1
  H  H238  1  0.584438  0.929431  0.336540  1
  H  H239  1  -0.069755  1.008087  0.313889  1
  H  H240  1  0.352168  0.975496  0.298912  1
  H  H241  1  0.317837  0.674255  0.315629  1
  H  H242  1  0.689825  0.710812  0.318700  1
  H  H243  1  -0.038074  0.634485  0.336113  1
  H  H244  1  0.317845  0.174208  0.315637  1
  H  H245  1  0.689828  0.210849  0.318707  1
  H  H246  1  -0.038050  0.134457  0.336095  1
  H  H247  1  0.274608  0.557014  0.331632  1
  H  H248  1  0.624760  0.613773  0.316662  1
  H  H249  1  0.027116  0.661713  0.311719  1
  H  H250  1  0.274612  1.056998  0.331635  1
  H  H251  1  0.624753  0.113765  0.316678  1
  H  H252  1  0.027115  0.161728  0.311727  1
  H  H253  1  0.462908  0.700869  0.350579  1
  H  H254  1  0.819796  0.673141  0.343276  1
  H  H255  1  0.071766  0.797554  0.317181  1
  H  H256  1  0.462907  0.200882  0.350581  1
  H  H257  1  0.819800  0.173162  0.343257  1
  H  H258  1  0.071759  0.297566  0.317179  1
  H  H259  1  0.418926  0.655765  0.306658  1
  H  H260  1  0.787531  0.729295  0.316694  1
  H  H261  1  0.119063  0.640721  0.341535  1
  H  H262  1  0.418871  0.155827  0.306653  1
  H  H263  1  0.787571  0.229244  0.316708  1
  H  H264  1  0.119072  0.140712  0.341537  1
  H  H265  1  0.309902  0.386657  0.331708  1
  H  H266  1  0.698407  0.489194  0.328000  1
  H  H267  1  0.041974  0.488637  0.308852  1
  H  H268  1  0.309862  0.886685  0.331711  1
  H  H269  1  0.698409  0.989203  0.328001  1
  H  H270  1  0.041974  0.988632  0.308852  1
  H  H271  1  0.361857  0.533632  0.300228  1
  H  H272  1  0.602887  0.576857  0.330095  1
  H  H273  1  -0.052513  0.561363  0.314003  1
  H  H274  1  0.361875  1.033596  0.300235  1
  H  H275  1  0.602881  1.076852  0.330103  1
  H  H276  1  -0.052520  1.061349  0.313986  1
  H  H277  1  0.256637  0.395505  0.354425  1
  H  H278  1  0.619735  0.410629  0.321672  1
  H  H279  1  0.009188  0.408939  0.314259  1
  H  H280  1  0.256637  0.895513  0.354429  1
  H  H281  1  0.619719  0.910753  0.321710  1
  H  H282  1  0.009186  0.908939  0.314262  1
  H  H283  1  0.498789  0.566099  0.326581  1
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