# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.04865542
_cell_length_b   21.63618305
_cell_length_c   49.45166803
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.95609002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al216 H648'
_cell_volume   16079.8136503
_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  0.212891  0.248359  0.341982  1
  Al  Al2  1  0.228112  0.972233  0.311165  1
  Al  Al3  1  0.253824  0.575691  0.367661  1
  Al  Al4  1  0.560568  0.938873  0.333829  1
  Al  Al5  1  0.563222  0.643919  0.324459  1
  Al  Al6  1  0.904349  0.612387  0.334507  1
  Al  Al7  1  0.550500  0.261244  0.373303  1
  Al  Al8  1  0.889630  0.263913  0.314084  1
  Al  Al9  1  0.887981  0.894493  0.356567  1
  Al  Al10  1  0.207263  0.398518  0.358421  1
  Al  Al11  1  0.223170  0.127466  0.322411  1
  Al  Al12  1  0.167622  0.847269  0.313832  1
  Al  Al13  1  0.565855  0.095820  0.352077  1
  Al  Al14  1  0.524232  0.757308  0.331227  1
  Al  Al15  1  0.907203  0.768986  0.358646  1
  Al  Al16  1  0.573481  0.393798  0.387734  1
  Al  Al17  1  0.864389  0.492123  0.335698  1
  Al  Al18  1  0.834262  0.143602  0.308699  1
  Al  Al19  1  0.335801  0.125357  0.368333  1
  Al  Al20  1  0.339673  0.825355  0.333888  1
  Al  Al21  1  0.239275  0.459073  0.314220  1
  Al  Al22  1  0.665775  0.796190  0.367982  1
  Al  Al23  1  0.635580  0.541749  0.337145  1
  Al  Al24  1  1.009962  0.460491  0.367252  1
  Al  Al25  1  0.666818  0.169882  0.307175  1
  Al  Al26  1  0.987960  0.162072  0.331719  1
  Al  Al27  1  1.000309  0.877038  0.313866  1
  Al  Al28  1  0.254084  0.338757  0.309195  1
  Al  Al29  1  0.334886  0.984344  0.356971  1
  Al  Al30  1  0.352644  0.648515  0.331814  1
  Al  Al31  1  0.629421  0.044448  0.308965  1
  Al  Al32  1  0.704577  0.643268  0.364518  1
  Al  Al33  1  0.961838  0.741793  0.312093  1
  Al  Al34  1  0.627256  0.276938  0.325798  1
  Al  Al35  1  1.000708  0.327479  0.349404  1
  Al  Al36  1  0.998828  0.001391  0.318285  1
  Al  Al37  1  0.382923  0.407081  0.336401  1
  Al  Al38  1  0.454998  0.069413  0.309290  1
  Al  Al39  1  0.471123  0.673823  0.369606  1
  Al  Al40  1  0.791982  0.036194  0.332572  1
  Al  Al41  1  0.789168  0.752189  0.312486  1
  Al  Al42  1  0.118720  0.720222  0.333822  1
  Al  Al43  1  0.771092  0.353678  0.368545  1
  Al  Al44  1  0.090872  0.384190  0.307992  1
  Al  Al45  1  0.105797  0.015159  0.361929  1
  Al  Al46  1  0.462209  0.242775  0.325214  1
  Al  Al47  1  0.399231  0.948476  0.312335  1
  Al  Al48  1  0.445604  0.546988  0.346009  1
  Al  Al49  1  0.765437  0.883843  0.316726  1
  Al  Al50  1  0.744283  0.630397  0.314953  1
  Al  Al51  1  0.136925  0.551528  0.326480  1
  Al  Al52  1  0.769191  0.206993  0.350269  1
  Al  Al53  1  0.072160  0.260385  0.309852  1
  Al  Al54  1  0.121787  0.872651  0.361122  1
  Al  Al55  1  0.276917  0.200414  0.447142  1
  Al  Al56  1  0.256276  0.891782  0.410286  1
  Al  Al57  1  0.300653  0.512153  0.483681  1
  Al  Al58  1  0.610362  0.868005  0.446608  1
  Al  Al59  1  0.582687  0.555996  0.408059  1
  Al  Al60  1  0.945336  0.533139  0.446213  1
  Al  Al61  1  0.632580  0.179021  0.484304  1
  Al  Al62  1  0.915126  0.226766  0.411952  1
  Al  Al63  1  0.965932  0.845321  0.484208  1
  Al  Al64  1  0.289188  0.356929  0.465866  1
  Al  Al65  1  0.266007  0.046535  0.429569  1
  Al  Al66  1  0.248959  0.733600  0.385894  1
  Al  Al67  1  0.621716  0.022828  0.465626  1
  Al  Al68  1  0.597813  0.714652  0.431559  1
  Al  Al69  1  0.956294  0.688647  0.464832  1
  Al  Al70  1  0.643492  0.334767  0.502184  1
  Al  Al71  1  0.930002  0.379799  0.426828  1
  Al  Al72  1  0.908560  0.068488  0.390424  1
  Al  Al73  1  0.410512  0.067868  0.484519  1
  Al  Al74  1  0.387428  0.756667  0.447090  1
  Al  Al75  1  0.369398  0.450148  0.408557  1
  Al  Al76  1  0.744573  0.733910  0.484272  1
  Al  Al77  1  0.719668  0.423168  0.445729  1
  Al  Al78  1  0.076810  0.401165  0.484523  1
  Al  Al79  1  0.699809  0.113935  0.413972  1
  Al  Al80  1  0.053176  0.089898  0.446454  1
  Al  Al81  1  0.035446  0.779325  0.410801  1
  Al  Al82  1  0.367991  0.288772  0.387535  1
  Al  Al83  1  0.399875  0.912154  0.465464  1
  Al  Al84  1  0.375976  0.601094  0.426610  1
  Al  Al85  1  0.688254  0.956561  0.390276  1
  Al  Al86  1  0.733259  0.577901  0.463802  1
  Al  Al87  1  0.020637  0.622827  0.386448  1
  Al  Al88  1  0.708493  0.269030  0.426514  1
  Al  Al89  1  0.065142  0.245759  0.465721  1
  Al  Al90  1  0.042429  0.935581  0.430869  1
  Al  Al91  1  0.497317  0.313892  0.446969  1
  Al  Al92  1  0.477338  0.004053  0.410507  1
  Al  Al93  1  0.521593  0.621902  0.483931  1
  Al  Al94  1  0.831927  0.978612  0.446843  1
  Al  Al95  1  0.810856  0.667129  0.409655  1
  Al  Al96  1  0.167155  0.644546  0.445475  1
  Al  Al97  1  0.854064  0.290687  0.483872  1
  Al  Al98  1  0.140419  0.335348  0.415001  1
  Al  Al99  1  0.187697  0.956934  0.484184  1
  Al  Al100  1  0.486686  0.156083  0.429189  1
  Al  Al101  1  0.460404  0.847865  0.388888  1
  Al  Al102  1  0.510873  0.467604  0.464700  1
  Al  Al103  1  0.818039  0.822397  0.429796  1
  Al  Al104  1  0.808222  0.509581  0.387943  1
  Al  Al105  1  0.154653  0.491173  0.429029  1
  Al  Al106  1  0.843608  0.134697  0.465097  1
  Al  Al107  1  0.135825  0.183688  0.390880  1
  Al  Al108  1  0.178591  0.799788  0.464459  1
  Al  Al109  1  0.345385  0.132145  0.559240  1
  Al  Al110  1  0.322251  0.823067  0.520682  1
  Al  Al111  1  0.365162  0.440159  0.599706  1
  Al  Al112  1  0.681615  0.799311  0.559394  1
  Al  Al113  1  0.654412  0.489758  0.520912  1
  Al  Al114  1  0.011296  0.465531  0.557553  1
  Al  Al115  1  0.699889  0.107594  0.595720  1
  Al  Al116  1  0.988927  0.156595  0.521069  1
  Al  Al117  1  0.037958  0.777527  0.597721  1
  Al  Al118  1  0.355352  0.290723  0.576038  1
  Al  Al119  1  0.332804  0.978571  0.540061  1
  Al  Al120  1  0.312281  0.666235  0.501184  1
  Al  Al121  1  0.690299  0.956897  0.575021  1
  Al  Al122  1  0.668086  0.642901  0.539440  1
  Al  Al123  1  0.022002  0.624153  0.573357  1
  Al  Al124  1  0.713639  0.264522  0.612881  1
  Al  Al125  1  0.999395  0.312724  0.540098  1
  Al  Al126  1  0.977622  0.000234  0.502677  1
  Al  Al127  1  0.477903  -0.003267  0.599463  1
  Al  Al128  1  0.459786  0.688458  0.559380  1
  Al  Al129  1  0.431829  0.379223  0.521567  1
  Al  Al130  1  0.814849  0.664622  0.598221  1
  Al  Al131  1  0.788969  0.356099  0.557570  1
  Al  Al132  1  0.147708  0.333565  0.597885  1
  Al  Al133  1  0.766877  0.044370  0.521502  1
  Al  Al134  1  0.122633  0.020684  0.558722  1
  Al  Al135  1  0.099972  0.711554  0.520418  1
  Al  Al136  1  0.421517  0.223085  0.502720  1
  Al  Al137  1  0.464076  0.849848  0.574438  1
  Al  Al138  1  0.444268  0.533083  0.540400  1
  Al  Al139  1  0.755934  0.889005  0.502858  1
  Al  Al140  1  0.800442  0.512714  0.574475  1
  Al  Al141  1  0.089341  0.555913  0.501834  1
  Al  Al142  1  0.778208  0.200457  0.539742  1
  Al  Al143  1  0.132515  0.178093  0.575018  1
  Al  Al144  1  0.110526  0.867372  0.539708  1
  Al  Al145  1  0.567892  0.243557  0.557326  1
  Al  Al146  1  0.544661  0.934357  0.521512  1
  Al  Al147  1  0.588934  0.552701  0.599161  1
  Al  Al148  1  0.901108  0.910560  0.559429  1
  Al  Al149  1  0.877404  0.600499  0.520558  1
  Al  Al150  1  0.236237  0.576895  0.557536  1
  Al  Al151  1  0.926036  0.222623  0.595363  1
  Al  Al152  1  0.210907  0.268298  0.521755  1
  Al  Al153  1  0.262317  0.885535  0.597625  1
  Al  Al154  1  0.555683  0.088660  0.540348  1
  Al  Al155  1  0.533913  0.778053  0.502385  1
  Al  Al156  1  0.575801  0.400532  0.575233  1
  Al  Al157  1  0.889928  0.755840  0.540196  1
  Al  Al158  1  0.865516  0.445447  0.501774  1
  Al  Al159  1  0.221573  0.423653  0.540592  1
  Al  Al160  1  0.915055  0.065746  0.574379  1
  Al  Al161  1  0.199715  0.111641  0.502774  1
  Al  Al162  1  0.242400  0.734113  0.571247  1
  Al  Al163  1  0.337986  0.104861  0.658242  1
  Al  Al164  1  0.403296  0.766837  0.631877  1
  Al  Al165  1  0.471096  0.353505  0.675057  1
  Al  Al166  1  0.694951  0.763749  0.653090  1
  Al  Al167  1  0.716454  0.417682  0.634118  1
  Al  Al168  1  0.099388  0.367409  0.660327  1
  Al  Al169  1  0.775363  0.061327  0.688980  1
  Al  Al170  1  0.069554  0.089264  0.631807  1
  Al  Al171  1  0.102021  0.646189  0.676008  1
  Al  Al172  1  0.389856  0.216510  0.678277  1
  Al  Al173  1  0.396486  0.913677  0.654155  1
  Al  Al174  1  0.373850  0.598857  0.618617  1
  Al  Al175  1  0.734316  0.866720  0.679603  1
  Al  Al176  1  0.726174  0.576580  0.650492  1
  Al  Al177  1  0.051795  0.523519  0.679165  1
  Al  Al178  1  0.779181  0.184406  0.690882  1
  Al  Al179  1  0.055475  0.243833  0.653461  1
  Al  Al180  1  0.051472  0.932827  0.618272  1
  Al  Al181  1  0.568335  0.898213  0.674795  1
  Al  Al182  1  0.479873  0.667169  0.653079  1
  Al  Al183  1  0.500078  0.305955  0.629588  1
  Al  Al184  1  0.876350  0.566420  0.676323  1
  Al  Al185  1  0.837510  0.290169  0.667983  1
  Al  Al186  1  0.210131  0.227064  0.678064  1
  Al  Al187  1  0.815221  0.947627  0.646000  1
  Al  Al188  1  0.184390  0.927525  0.660053  1
  Al  Al189  1  0.190492  0.652228  0.630996  1
  Al  Al190  1  0.491255  0.148639  0.614429  1
  Al  Al191  1  0.530609  0.774770  0.681733  1
  Al  Al192  1  0.510065  0.465703  0.650930  1
  Al  Al193  1  0.826564  0.820935  0.615387  1
  Al  Al194  1  0.905619  0.446613  0.676382  1
  Al  Al195  1  0.132214  0.489716  0.622707  1
  Al  Al196  1  0.848062  0.136383  0.647637  1
  Al  Al197  1  0.164861  0.100341  0.678016  1
  Al  Al198  1  0.167844  0.803600  0.660906  1
  Al  Al199  1  0.619972  0.183384  0.668950  1
  Al  Al200  1  0.583521  0.845464  0.629333  1
  Al  Al201  1  0.731975  0.472886  0.679552  1
  Al  Al202  1  0.968997  0.833564  0.665114  1
  Al  Al203  1  0.962032  0.523203  0.633211  1
  Al  Al204  1  0.247861  0.544070  0.657114  1
  Al  Al205  1  0.928677  0.125760  0.694078  1
  Al  Al206  1  0.280758  0.209542  0.632216  1
  Al  Al207  1  0.345288  0.793482  0.678417  1
  Al  Al208  1  0.636005  0.019217  0.655849  1
  Al  Al209  1  0.601516  0.706680  0.612479  1
  Al  Al210  1  0.648341  0.338490  0.683172  1
  Al  Al211  1  0.957198  0.708539  0.663511  1
  Al  Al212  1  0.942006  0.386318  0.617692  1
  Al  Al213  1  0.286074  0.357010  0.655662  1
  Al  Al214  1  0.927388  0.001699  0.683841  1
  Al  Al215  1  0.262274  0.042600  0.615788  1
  Al  Al216  1  0.277641  0.657786  0.677916  1
  H  H217  1  0.357589  0.297696  0.336604  1
  H  H218  1  0.344153  0.014278  0.284516  1
  H  H219  1  0.389680  0.590697  0.382352  1
  H  H220  1  0.706386  0.949706  0.343774  1
  H  H221  1  0.715578  0.693582  0.283578  1
  H  H222  1  0.053329  0.623359  0.341188  1
  H  H223  1  0.698756  0.269895  0.379556  1
  H  H224  1  0.987465  0.321392  0.286213  1
  H  H225  1  0.039857  0.938088  0.386698  1
  H  H226  1  0.353139  0.413539  0.292324  1
  H  H227  1  0.433964  0.056789  0.373596  1
  H  H228  1  0.394375  0.742425  0.312012  1
  H  H229  1  0.731250  0.097716  0.281047  1
  H  H230  1  0.771551  0.732015  0.376868  1
  H  H231  1  0.056283  0.802245  0.286576  1
  H  H232  1  0.774937  0.410407  0.327022  1
  H  H233  1  0.082610  0.380227  0.379459  1
  H  H234  1  0.084983  0.082826  0.325759  1
  H  H235  1  0.223243  0.309231  0.381181  1
  H  H236  1  0.223730  0.038322  0.341327  1
  H  H237  1  0.193955  0.753326  0.295754  1
  H  H238  1  0.565720  -0.002433  0.373785  1
  H  H239  1  0.605827  0.707903  0.357790  1
  H  H240  1  0.901715  0.669005  0.374187  1
  H  H241  1  0.590789  0.350988  0.293654  1
  H  H242  1  0.867926  0.356683  0.332189  1
  H  H243  1  0.880939  0.048264  0.294091  1
  H  H244  1  0.474917  0.342865  0.360145  1
  H  H245  1  0.473241  0.013316  0.342844  1
  H  H246  1  0.509134  0.700942  0.289807  1
  H  H247  1  0.823648  0.987513  0.371214  1
  H  H248  1  0.823023  0.690054  0.343028  1
  H  H249  1  0.161329  0.656299  0.366494  1
  H  H250  1  0.827934  0.335436  0.282879  1
  H  H251  1  0.138665  0.327231  0.337293  1
  H  H252  1  0.117119  0.020189  0.289061  1
  H  H253  1  0.300615  0.328521  0.353572  1
  H  H254  1  0.192460  0.058340  0.289524  1
  H  H255  1  0.327753  0.661219  0.375256  1
  H  H256  1  0.655940  0.011989  0.351303  1
  H  H257  1  0.577799  0.728794  0.290728  1
  H  H258  1  0.991904  0.686306  0.349148  1
  H  H259  1  0.635600  0.361524  0.349847  1
  H  H260  1  0.848403  0.379498  0.282468  1
  H  H261  1  0.953866  -0.004751  0.363467  1
  H  H262  1  0.342961  0.385121  0.377828  1
  H  H263  1  0.330678  0.068016  0.330304  1
  H  H264  1  0.266779  0.789974  0.294692  1
  H  H265  1  0.680509  0.055595  0.378157  1
  H  H266  1  0.667063  0.726790  0.331366  1
  H  H267  1  0.031749  0.723340  0.374667  1
  H  H268  1  0.659105  0.354672  0.296246  1
  H  H269  1  0.955825  0.415450  0.324144  1
  H  H270  1  0.961410  0.091943  0.295180  1
  H  H271  1  0.489234  0.159020  0.381977  1
  H  H272  1  0.485146  0.846595  0.342191  1
  H  H273  1  0.316771  0.616820  0.279584  1
  H  H274  1  0.814783  0.827800  0.384759  1
  H  H275  1  0.715278  0.457919  0.326347  1
  H  H276  1  0.157802  0.483014  0.384309  1
  H  H277  1  0.788475  0.218894  0.283557  1
  H  H278  1  0.125163  0.164776  0.347594  1
  H  H279  1  0.120378  0.910031  0.283989  1
  H  H280  1  0.503969  0.342536  0.317848  1
  H  H281  1  0.511655  -0.002292  0.284323  1
  H  H282  1  0.561610  0.597342  0.367387  1
  H  H283  1  0.866991  0.956792  0.321938  1
  H  H284  1  0.864357  0.676395  0.289866  1
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  H  H863  1  1.002687  0.963000  0.719986  1
  H  H864  1  0.036215  0.665894  0.632730  1
