# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41246527
_cell_length_b   15.83881375
_cell_length_c   50.24898880
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.58229312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al84 H252'
_cell_volume   6653.39273818
_cell_formula_units_Z   84
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  0.645935  0.150023  0.330452  1
  Al  Al2  1  0.651089  0.650958  0.313426  1
  Al  Al3  1  0.657443  0.980015  0.324305  1
  Al  Al4  1  0.906635  0.547452  0.301623  1
  Al  Al5  1  0.907014  0.388133  0.320484  1
  Al  Al6  1  -0.063890  0.881586  0.311719  1
  Al  Al7  1  0.915988  1.052985  0.316264  1
  Al  Al8  1  0.916060  0.523495  0.352928  1
  Al  Al9  1  0.908080  0.221683  0.321178  1
  Al  Al10  1  0.919939  0.716605  0.302347  1
  Al  Al11  1  0.633721  0.321081  0.331634  1
  Al  Al12  1  0.659464  0.815470  0.318920  1
  Al  Al13  1  0.534480  0.124952  0.380159  1
  Al  Al14  1  0.600769  0.602181  0.364124  1
  Al  Al15  1  0.544033  0.954211  0.373928  1
  Al  Al16  1  0.637115  0.486538  0.325125  1
  Al  Al17  1  0.815261  0.378743  0.372790  1
  Al  Al18  1  0.844783  0.869000  0.362282  1
  Al  Al19  1  0.832915  1.040751  0.368073  1
  Al  Al20  1  0.782824  0.517811  0.404030  1
  Al  Al21  1  0.843000  0.209148  0.372806  1
  Al  Al22  1  0.863876  0.694635  0.353878  1
  Al  Al23  1  0.547617  0.292063  0.383094  1
  Al  Al24  1  0.564826  0.776334  0.369173  1
  Al  Al25  1  0.407448  0.093781  0.442470  1
  Al  Al26  1  0.460956  0.604593  0.413405  1
  Al  Al27  1  0.430061  0.933766  0.430129  1
  Al  Al28  1  0.510467  0.457601  0.387773  1
  Al  Al29  1  0.596021  0.348026  0.433251  1
  Al  Al30  1  0.718788  0.854541  0.413221  1
  Al  Al31  1  0.687533  1.022751  0.419978  1
  Al  Al32  1  0.585365  0.499955  0.451117  1
  Al  Al33  1  0.658236  0.186575  0.426035  1
  Al  Al34  1  0.748276  0.686762  0.408939  1
  Al  Al35  1  0.388131  0.249216  0.456182  1
  Al  Al36  1  0.444742  0.769810  0.421793  1
  Al  Al37  1  0.208514  1.043638  0.509668  1
  Al  Al38  1  0.318410  0.567948  0.478255  1
  Al  Al39  1  0.238748  0.882955  0.500628  1
  Al  Al40  1  0.352206  0.407566  0.467420  1
  Al  Al41  1  0.385029  0.295427  0.510064  1
  Al  Al42  1  0.518636  0.822361  0.471749  1
  Al  Al43  1  0.472255  0.980070  0.483308  1
  Al  Al44  1  0.353238  0.456184  0.519156  1
  Al  Al45  1  0.439659  0.138591  0.496322  1
  Al  Al46  1  0.565811  0.661669  0.461936  1
  Al  Al47  1  0.148357  0.201607  0.521304  1
  Al  Al48  1  0.294834  0.726077  0.489501  1
  Al  Al49  1  -0.010502  1.012643  0.579740  1
  Al  Al50  1  0.083385  0.524211  0.546856  1
  Al  Al51  1  0.020769  0.847861  0.566287  1
  Al  Al52  1  0.106287  0.362704  0.533607  1
  Al  Al53  1  0.256015  0.255139  0.570738  1
  Al  Al54  1  0.307575  0.773857  0.542053  1
  Al  Al55  1  0.267366  0.933388  0.552989  1
  Al  Al56  1  0.198086  0.412495  0.585151  1
  Al  Al57  1  0.259149  0.092738  0.562574  1
  Al  Al58  1  0.329164  0.614513  0.531154  1
  Al  Al59  1  -0.020053  0.181305  0.572759  1
  Al  Al60  1  0.059285  0.685699  0.557524  1
  Al  Al61  1  0.836306  0.982949  0.637065  1
  Al  Al62  1  0.899941  0.498148  0.600078  1
  Al  Al63  1  0.886124  0.826027  0.617618  1
  Al  Al64  1  0.919880  0.332177  0.593867  1
  Al  Al65  1  0.133198  0.223182  0.623109  1
  Al  Al66  1  0.179135  0.735796  0.604891  1
  Al  Al67  1  0.168298  0.899143  0.613086  1
  Al  Al68  1  0.099952  0.382710  0.638825  1
  Al  Al69  1  0.140777  1.057348  0.627104  1
  Al  Al70  1  0.183526  0.573385  0.597352  1
  Al  Al71  1  0.846983  0.144764  0.621967  1
  Al  Al72  1  0.882607  0.658640  0.615993  1
  Al  Al73  1  0.816952  0.953789  0.689382  1
  Al  Al74  1  0.808807  0.477814  0.650357  1
  Al  Al75  1  0.808279  0.801290  0.668645  1
  Al  Al76  1  0.803377  0.301940  0.643171  1
  Al  Al77  1  0.005524  0.202150  0.673337  1
  Al  Al78  1  0.085826  0.711230  0.656699  1
  Al  Al79  1  0.077750  0.876516  0.664952  1
  Al  Al80  1  -0.064473  0.366978  0.684195  1
  Al  Al81  1  0.055383  1.037683  0.677361  1
  Al  Al82  1  0.091151  0.546356  0.648566  1
  Al  Al83  1  0.760669  0.113126  0.672538  1
  Al  Al84  1  0.826521  0.633224  0.668305  1
  H  H85  1  0.509568  0.917590  0.292914  1
  H  H86  1  0.921764  0.468103  0.265228  1
  H  H87  1  0.922088  0.974776  0.277044  1
  H  H88  1  0.123679  0.572076  0.275850  1
  H  H89  1  0.537957  0.079568  0.296320  1
  H  H90  1  0.661772  0.542602  0.283043  1
  H  H91  1  0.614544  0.237638  0.292514  1
  H  H92  1  0.876493  0.633318  0.265497  1
  H  H93  1  0.714884  0.384675  0.289373  1
  H  H94  1  0.782682  0.830770  0.278435  1
  H  H95  1  0.863667  0.303897  0.286209  1
  H  H96  1  0.501252  0.758925  0.287240  1
  H  H97  1  0.005956  0.427433  0.277767  1
  H  H98  1  0.200185  0.844111  0.301103  1
  H  H99  1  0.124350  0.296677  0.307224  1
  H  H100  1  -0.022833  0.812740  0.268185  1
  H  H101  1  0.880445  0.146260  0.285127  1
  H  H102  1  0.545103  0.702880  0.274762  1
  H  H103  1  0.487814  0.245970  0.303163  1
  H  H104  1  0.753218  0.682619  0.268886  1
  H  H105  1  0.691057  0.076645  0.288951  1
  H  H106  1  0.447445  0.573620  0.300450  1
  H  H107  1  0.106001  0.258326  0.254136  1
  H  H108  1  0.158524  0.784307  0.295964  1
  H  H109  1  0.109595  0.199384  0.253982  1
  H  H110  1  0.133547  0.619152  0.290631  1
  H  H111  1  0.152291  1.061028  0.296295  1
  H  H112  1  0.440299  0.627043  0.232326  1
  H  H113  1  0.152053  0.227696  0.304064  1
  H  H114  1  0.055548  0.753459  0.266129  1
  H  H115  1  0.121192  0.128480  0.301602  1
  H  H116  1  0.332330  0.654850  0.241008  1
  H  H117  1  0.641815  0.919392  0.282374  1
  H  H118  1  0.528029  0.403288  0.292876  1
  H  H119  1  0.055410  0.976811  0.283914  1
  H  H120  1  0.349010  0.588932  0.237036  1
  H  H121  1  0.359115  0.874096  0.356957  1
  H  H122  1  0.434341  0.412257  0.310229  1
  H  H123  1  0.110939  0.960832  0.332295  1
  H  H124  1  0.054824  0.432445  0.381956  1
  H  H125  1  0.309131  1.004661  0.392597  1
  H  H126  1  0.403280  0.523367  0.347645  1
  H  H127  1  0.335630  0.149852  0.347077  1
  H  H128  1  0.393393  0.632816  0.313151  1
  H  H129  1  0.397966  0.381085  0.352978  1
  H  H130  1  0.429078  0.907409  0.325574  1
  H  H131  1  0.380165  0.296172  0.344262  1
  H  H132  1  0.309574  0.785992  0.379698  1
  H  H133  1  0.084952  0.395038  0.353426  1
  H  H134  1  -0.003948  0.833889  0.398799  1
  H  H135  1  0.005826  0.291890  0.399642  1
  H  H136  1  0.082633  0.807315  0.344446  1
  H  H137  1  0.391306  0.144082  0.324226  1
  H  H138  1  0.354842  0.670003  0.365428  1
  H  H139  1  0.341332  0.227251  0.368483  1
  H  H140  1  0.440739  0.746381  0.329194  1
  H  H141  1  0.332473  1.051113  0.364169  1
  H  H142  1  0.263674  0.539464  0.393320  1
  H  H143  1  0.073848  0.254726  0.352646  1
  H  H144  1  0.028733  0.763848  0.378022  1
  H  H145  1  0.044003  0.115748  0.349497  1
  H  H146  1  -0.026647  0.607946  0.387750  1
  H  H147  1  0.074271  0.992051  0.383616  1
  H  H148  1  0.137762  0.503984  0.323643  1
  H  H149  1  0.089620  0.260556  0.380908  1
  H  H150  1  0.115852  0.700838  0.333780  1
  H  H151  1  0.049796  0.106025  0.381452  1
  H  H152  1  0.104677  0.615680  0.342784  1
  H  H153  1  0.400177  1.002961  0.334807  1
  H  H154  1  0.279575  0.509417  0.367564  1
  H  H155  1  0.074540  0.947585  0.361714  1
  H  H156  1  0.125088  0.446505  0.305211  1
  H  H157  1  0.208993  0.862638  0.422787  1
  H  H158  1  0.311740  0.372269  0.389568  1
  H  H159  1  0.916519  0.943170  0.402075  1
  H  H160  1  0.821166  0.422208  0.438610  1
  H  H161  1  0.228721  0.956916  0.462242  1
  H  H162  1  0.347322  0.476650  0.426130  1
  H  H163  1  0.143913  0.111040  0.438561  1
  H  H164  1  0.234047  0.640264  0.389215  1
  H  H165  1  0.196886  0.347035  0.436409  1
  H  H166  1  0.295145  0.870463  0.394952  1
  H  H167  1  0.345706  0.313653  0.414321  1
  H  H168  1  0.218699  0.779440  0.448336  1
  H  H169  1  0.855343  0.341780  0.416486  1
  H  H170  1  0.777540  0.804079  0.455609  1
  H  H171  1  0.801090  0.262389  0.457247  1
  H  H172  1  -0.044673  0.775613  0.423015  1
  H  H173  1  0.310419  0.161477  0.403259  1
  H  H174  1  0.246891  0.625836  0.438979  1
  H  H175  1  0.209878  0.190126  0.428782  1
  H  H176  1  0.240320  0.703620  0.407177  1
  H  H177  1  0.213201  1.029555  0.420147  1
  H  H178  1  0.125019  0.501591  0.458850  1
  H  H179  1  0.916994  0.208991  0.416792  1
  H  H180  1  0.816070  0.698294  0.454338  1
  H  H181  1  0.893940  0.107111  0.407470  1
  H  H182  1  0.794393  0.586021  0.443820  1
  H  H183  1  0.905271  1.016740  0.446846  1
  H  H184  1  0.035023  0.511407  0.425182  1
  H  H185  1  0.891505  0.209527  0.448026  1
  H  H186  1  -0.018339  0.699561  0.429068  1
  H  H187  1  0.849263  0.091443  0.448266  1
  H  H188  1  -0.019589  0.604330  0.420693  1
  H  H189  1  0.162987  0.945402  0.432760  1
  H  H190  1  0.087868  0.394881  0.459981  1
  H  H191  1  0.887391  0.933227  0.436986  1
  H  H192  1  0.045148  0.453509  0.409882  1
  H  H193  1  -0.002560  0.819358  0.489668  1
  H  H194  1  0.076123  0.327881  0.449410  1
  H  H195  1  0.678518  0.923407  0.454714  1
  H  H196  1  0.583221  0.434003  0.492056  1
  H  H197  1  0.024742  0.925590  0.528154  1
  H  H198  1  0.125451  0.434332  0.493909  1
  H  H199  1  -0.049935  1.064855  0.495735  1
  H  H200  1  0.053471  0.581592  0.471350  1
  H  H201  1  0.003170  0.298105  0.495588  1
  H  H202  1  0.092624  0.819813  0.467800  1
  H  H203  1  0.147533  0.238282  0.476154  1
  H  H204  1  0.067829  0.749663  0.516116  1
  H  H205  1  0.585236  0.313740  0.479535  1
  H  H206  1  0.555551  0.777321  0.515768  1
  H  H207  1  0.618089  0.212217  0.520102  1
  H  H208  1  0.737974  0.736886  0.489794  1
  H  H209  1  0.166245  0.086261  0.465962  1
  H  H210  1  0.097227  0.591963  0.506265  1
  H  H211  1  -0.022446  0.137206  0.495062  1
  H  H212  1  0.090160  0.660990  0.474236  1
  H  H213  1  0.008158  0.976722  0.492541  1
  H  H214  1  0.930334  0.470207  0.515299  1
  H  H215  1  0.642847  0.192097  0.472397  1
  H  H216  1  0.541907  0.661862  0.508696  1
  H  H217  1  0.646875  1.070657  0.467016  1
  H  H218  1  0.547410  0.546621  0.505729  1
  H  H219  1  0.716411  0.960534  0.503687  1
  H  H220  1  0.822708  0.488093  0.471746  1
  H  H221  1  0.686092  0.145271  0.512369  1
  H  H222  1  0.790999  0.666948  0.487302  1
  H  H223  1  0.670371  1.052920  0.501926  1
  H  H224  1  0.753744  0.559089  0.480168  1
  H  H225  1  -0.012210  0.895688  0.481519  1
  H  H226  1  0.864480  0.394364  0.514014  1
  H  H227  1  0.697725  0.892600  0.496098  1
  H  H228  1  0.779139  0.397560  0.464856  1
  H  H229  1  0.799167  0.773408  0.557913  1
  H  H230  1  0.871774  0.318421  0.509502  1
  H  H231  1  0.481678  0.869595  0.526794  1
  H  H232  1  0.391607  0.361568  0.553619  1
  H  H233  1  0.791766  0.917701  0.584787  1
  H  H234  1  0.896705  0.426460  0.558415  1
  H  H235  1  0.789858  1.025721  0.548241  1
  H  H236  1  0.837389  0.557635  0.527533  1
  H  H237  1  0.783894  0.284298  0.556834  1
  H  H238  1  0.881021  0.785185  0.532357  1
  H  H239  1  0.887461  0.237105  0.533807  1
  H  H240  1  0.809022  0.691301  0.573828  1
  H  H241  1  0.494161  0.243129  0.549074  1
  H  H242  1  0.412353  0.724262  0.582749  1
  H  H243  1  0.451694  0.160776  0.585893  1
  H  H244  1  0.534795  0.700532  0.560209  1
  H  H245  1  0.011198  0.084586  0.538904  1
  H  H246  1  0.814580  0.544327  0.558021  1
  H  H247  1  0.791100  0.104920  0.557196  1
  H  H248  1  0.888131  0.627749  0.530326  1
  H  H249  1  0.804984  0.943489  0.552697  1
  H  H250  1  0.695875  0.420010  0.584412  1
  H  H251  1  0.497508  0.092772  0.540096  1
  H  H252  1  0.402965  0.587162  0.574660  1
  H  H253  1  0.465860  0.991248  0.529307  1
  H  H254  1  0.409979  0.490545  0.582450  1
  H  H255  1  0.516041  0.927534  0.573662  1
  H  H256  1  0.601429  0.439000  0.539221  1
  H  H257  1  0.516557  0.091073  0.568358  1
  H  H258  1  0.578613  0.654830  0.542750  1
  H  H259  1  0.444723  0.998103  0.581428  1
  H  H260  1  0.549187  0.518504  0.539189  1
  H  H261  1  0.788994  0.848095  0.541572  1
  H  H262  1  0.686595  0.334028  0.572333  1
  H  H263  1  0.505014  0.852426  0.559311  1
  H  H264  1  0.584262  0.368970  0.525204  1
  H  H265  1  0.590467  0.726734  0.666603  1
  H  H266  1  0.689715  0.261376  0.604708  1
  H  H267  1  0.381585  0.851667  0.588930  1
  H  H268  1  0.331740  0.296102  0.641457  1
  H  H269  1  0.599736  0.866426  0.647353  1
  H  H270  1  0.693956  0.413386  0.616045  1
  H  H271  1  0.577712  1.061587  0.643835  1
  H  H272  1  0.688358  0.545464  0.576527  1
  H  H273  1  0.620599  0.205565  0.644990  1
  H  H274  1  0.638511  0.742511  0.614353  1
  H  H275  1  0.722320  0.174672  0.582498  1
  H  H276  1  0.634161  0.686258  0.638996  1
  H  H277  1  0.384996  0.253029  0.613470  1
  H  H278  1  0.323115  0.660476  0.673841  1
  H  H279  1  0.307624  0.138486  0.649845  1
  H  H280  1  0.365333  0.635938  0.623234  1
  H  H281  1  0.729297  1.024120  0.597024  1
  H  H282  1  0.637574  0.535864  0.620601  1
  H  H283  1  0.625522  1.069613  0.616929  1
  H  H284  1  0.664744  0.592553  0.599470  1
  H  H285  1  0.635361  0.903672  0.625061  1
  H  H286  1  0.606112  0.397505  0.665379  1
  H  H287  1  0.337101  0.119655  0.607759  1
  H  H288  1  0.257693  0.606751  0.680109  1
  H  H289  1  0.370107  0.969631  0.626001  1
  H  H290  1  0.249924  0.444810  0.670675  1
  H  H291  1  0.304299  0.939937  0.651147  1
  H  H292  1  0.427852  0.408636  0.608526  1
  H  H293  1  0.296882  1.070353  0.666664  1
  H  H294  1  0.350176  0.555303  0.634843  1
  H  H295  1  0.253208  0.935788  0.693503  1
  H  H296  1  0.307426  0.458785  0.626987  1
  H  H297  1  0.651006  0.802374  0.600578  1
  H  H298  1  0.550601  0.344345  0.654176  1
  H  H299  1  0.355616  0.791481  0.632122  1
  H  H300  1  0.428679  0.328282  0.594964  1
  H  H301  1  0.607382  0.788375  0.737564  1
  H  H302  1  0.754901  0.260735  0.687026  1
  H  H303  1  0.324747  0.813374  0.658020  1
  H  H304  1  0.037928  0.275519  0.709122  1
  H  H305  1  0.719911  0.783888  0.735973  1
  H  H306  1  0.413167  0.322060  0.719482  1
  H  H307  1  0.598696  0.988982  0.713861  1
  H  H308  1  0.562350  0.499389  0.671005  1
  H  H309  1  0.544875  0.149373  0.698975  1
  H  H310  1  0.686269  0.644719  0.708774  1
  H  H311  1  0.512438  0.181175  0.681460  1
  H  H312  1  0.769481  0.590258  0.711038  1
  H  H313  1  0.196879  0.163931  0.704455  1
  H  H314  1  -0.057674  0.710663  0.698620  1
  H  H315  1  0.845675  0.164583  0.708125  1
  H  H316  1  0.058131  0.608654  0.690691  1
  H  H317  1  0.597406  1.005794  0.665332  1
  H  H318  1  0.719117  0.389356  0.712738  1
  H  H319  1  0.631843  1.052127  0.710449  1
  H  H320  1  0.593727  0.565051  0.668830  1
  H  H321  1  0.640946  0.875444  0.694829  1
  H  H322  1  0.311684  0.302182  0.729437  1
  H  H323  1  0.132832  0.112239  0.711954  1
  H  H324  1  0.839988  0.507139  0.693228  1
  H  H325  1  0.143060  0.934865  0.707739  1
  H  H326  1  0.817045  0.377644  0.724385  1
  H  H327  1  -0.055545  0.832798  0.705285  1
  H  H328  1  0.203400  0.376233  0.682186  1
  H  H329  1  0.901927  1.015209  0.728417  1
  H  H330  1  0.106616  0.495989  0.714443  1
  H  H331  1  0.868181  0.955604  0.733289  1
  H  H332  1  0.080679  0.436077  0.715519  1
  H  H333  1  0.635910  0.720724  0.690305  1
  H  H334  1  0.427458  0.269823  0.732694  1
  H  H335  1  0.161267  0.776808  0.692880  1
  H  H336  1  0.226331  0.271884  0.666699  1
