# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.67447841
_cell_length_b   24.31911683
_cell_length_c   54.74240857
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.55888044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al216 H648'
_cell_volume   18085.5062164
_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  0.957527  0.768936  0.316751  1
  Al  Al2  1  0.624193  0.435603  0.316751  1
  Al  Al3  1  0.287633  0.819545  0.255730  1
  Al  Al4  1  0.130030  0.791460  0.285559  1
  Al  Al5  1  0.290860  0.102269  0.316751  1
  Al  Al6  1  0.954299  0.486212  0.255730  1
  Al  Al7  1  0.796697  0.458127  0.285559  1
  Al  Al8  1  0.620966  0.152878  0.255730  1
  Al  Al9  1  0.463364  0.124793  0.285559  1
  Al  Al10  1  0.839502  0.669464  0.307548  1
  Al  Al11  1  0.506168  0.336131  0.307548  1
  Al  Al12  1  0.188957  0.715678  0.256128  1
  Al  Al13  1  0.009189  0.696943  0.279895  1
  Al  Al14  1  0.172835  1.002798  0.307548  1
  Al  Al15  1  0.855623  0.382344  0.256128  1
  Al  Al16  1  0.675856  0.363610  0.279895  1
  Al  Al17  1  0.522290  1.049011  0.256128  1
  Al  Al18  1  0.342523  1.030276  0.279895  1
  Al  Al19  1  0.508278  0.964623  0.290013  1
  Al  Al20  1  0.174944  0.631289  0.290013  1
  Al  Al21  1  0.337373  0.944088  0.317308  1
  Al  Al22  1  0.669178  0.996948  0.262063  1
  Al  Al23  1  0.841611  0.297956  0.290013  1
  Al  Al24  1  0.004040  0.610754  0.317308  1
  Al  Al25  1  0.335845  0.663614  0.262063  1
  Al  Al26  1  0.670706  0.277421  0.317308  1
  Al  Al27  1  1.002512  0.330281  0.262063  1
  Al  Al28  1  0.421351  0.761657  0.270647  1
  Al  Al29  1  0.088017  0.428324  0.270647  1
  Al  Al30  1  0.293636  0.722265  0.302826  1
  Al  Al31  1  0.113641  0.707991  0.324535  1
  Al  Al32  1  0.754684  0.094990  0.270647  1
  Al  Al33  1  0.960302  0.388931  0.302826  1
  Al  Al34  1  0.780307  0.374658  0.324535  1
  Al  Al35  1  0.626969  1.055598  0.302826  1
  Al  Al36  1  0.446974  1.041325  0.324535  1
  Al  Al37  1  0.475318  0.865700  0.270486  1
  Al  Al38  1  0.141985  0.532367  0.270486  1
  Al  Al39  1  0.331178  0.835208  0.304464  1
  Al  Al40  1  0.155427  0.817260  0.333112  1
  Al  Al41  1  0.808651  0.199033  0.270486  1
  Al  Al42  1  0.997845  0.501875  0.304464  1
  Al  Al43  1  0.822094  0.483927  0.333112  1
  Al  Al44  1  0.664511  0.168541  0.304464  1
  Al  Al45  1  0.488760  0.150594  0.333112  1
  Al  Al46  1  0.996564  0.876712  0.330539  1
  Al  Al47  1  0.663231  0.543378  0.330539  1
  Al  Al48  1  0.337602  0.928848  0.264305  1
  Al  Al49  1  0.171859  0.899086  0.292106  1
  Al  Al50  1  0.329898  0.210045  0.330539  1
  Al  Al51  1  0.004269  0.595515  0.264305  1
  Al  Al52  1  0.838526  0.565752  0.292106  1
  Al  Al53  1  0.670935  0.262182  0.264305  1
  Al  Al54  1  0.505192  0.232419  0.292106  1
  Al  Al55  1  0.199500  0.705768  0.438569  1
  Al  Al56  1  0.866166  0.372435  0.438569  1
  Al  Al57  1  0.717878  0.748129  0.365022  1
  Al  Al58  1  0.457002  0.723700  0.405730  1
  Al  Al59  1  0.532833  1.039102  0.438569  1
  Al  Al60  1  0.384545  0.414796  0.365022  1
  Al  Al61  1  0.123669  0.390367  0.405730  1
  Al  Al62  1  0.051212  0.081463  0.365022  1
  Al  Al63  1  0.790336  1.057033  0.405730  1
  Al  Al64  1  0.169798  0.600235  0.427113  1
  Al  Al65  1  0.836465  0.266901  0.427113  1
  Al  Al66  1  0.688997  0.648607  0.346138  1
  Al  Al67  1  0.432503  0.620794  0.390864  1
  Al  Al68  1  0.503132  0.933568  0.427113  1
  Al  Al69  1  0.355663  0.315274  0.346138  1
  Al  Al70  1  0.099169  0.287460  0.390864  1
  Al  Al71  1  0.022330  0.981940  0.346138  1
  Al  Al72  1  0.765836  0.954127  0.390864  1
  Al  Al73  1  0.927378  0.905870  0.376872  1
  Al  Al74  1  0.594045  0.572536  0.376872  1
  Al  Al75  1  0.663899  0.880469  0.419932  1
  Al  Al76  1  0.176035  0.923943  0.346233  1
  Al  Al77  1  0.260712  0.239203  0.376872  1
  Al  Al78  1  0.330565  0.547136  0.419932  1
  Al  Al79  1  0.842702  0.590610  0.346233  1
  Al  Al80  1  0.997232  0.213803  0.419932  1
  Al  Al81  1  0.509368  0.257276  0.346233  1
  Al  Al82  1  0.884170  0.698851  0.353701  1
  Al  Al83  1  0.550837  0.365518  0.353701  1
  Al  Al84  1  0.614562  0.672844  0.393398  1
  Al  Al85  1  0.357491  0.649399  0.435071  1
  Al  Al86  1  0.217504  1.032185  0.353701  1
  Al  Al87  1  0.281229  0.339511  0.393398  1
  Al  Al88  1  0.024158  0.316065  0.435071  1
  Al  Al89  1  0.947896  1.006177  0.393398  1
  Al  Al90  1  0.690825  0.982732  0.435071  1
  Al  Al91  1  0.902857  0.803674  0.364238  1
  Al  Al92  1  0.569524  0.470340  0.364238  1
  Al  Al93  1  0.640462  0.776774  0.407540  1
  Al  Al94  1  0.385920  0.753431  0.449352  1
  Al  Al95  1  0.236190  0.137007  0.364238  1
  Al  Al96  1  0.307129  0.443441  0.407540  1
  Al  Al97  1  0.052586  0.420098  0.449352  1
  Al  Al98  1  0.973796  0.110107  0.407540  1
  Al  Al99  1  0.719253  0.086765  0.449352  1
  Al  Al100  1  0.230088  0.811875  0.448897  1
  Al  Al101  1  0.896755  0.478542  0.448897  1
  Al  Al102  1  0.739948  0.852736  0.376553  1
  Al  Al103  1  0.480205  0.827933  0.418112  1
  Al  Al104  1  0.563421  0.145209  0.448898  1
  Al  Al105  1  0.406615  0.519403  0.376553  1
  Al  Al106  1  0.146872  0.494599  0.418112  1
  Al  Al107  1  0.073281  0.186069  0.376553  1
  Al  Al108  1  0.813539  0.161266  0.418112  1
  Al  Al109  1  0.429228  0.640785  0.553815  1
  Al  Al110  1  0.095896  0.307451  0.553815  1
  Al  Al111  1  0.952893  0.689431  0.472797  1
  Al  Al112  1  0.697087  0.664613  0.515813  1
  Al  Al113  1  0.762562  0.974118  0.553815  1
  Al  Al114  1  0.619559  0.356098  0.472797  1
  Al  Al115  1  0.363753  0.331280  0.515813  1
  Al  Al116  1  0.286226  1.022765  0.472797  1
  Al  Al117  1  0.030420  0.997947  0.515813  1
  Al  Al118  1  0.407097  0.535306  0.543650  1
  Al  Al119  1  0.073764  0.201973  0.543650  1
  Al  Al120  1  0.922209  0.583916  0.460164  1
  Al  Al121  1  0.673169  0.561998  0.501192  1
  Al  Al122  1  0.740430  0.868640  0.543650  1
  Al  Al123  1  0.588876  0.250582  0.460164  1
  Al  Al124  1  0.339836  0.228665  0.501192  1
  Al  Al125  1  0.255543  0.917249  0.460164  1
  Al  Al126  1  0.006503  0.895332  0.501192  1
  Al  Al127  1  0.167575  0.843095  0.492891  1
  Al  Al128  1  0.834242  0.509762  0.492891  1
  Al  Al129  1  0.904090  0.821003  0.529874  1
  Al  Al130  1  0.412854  0.858882  0.460906  1
  Al  Al131  1  0.500908  0.176429  0.492891  1
  Al  Al132  1  0.570757  0.487670  0.529874  1
  Al  Al133  1  0.079521  0.525549  0.460906  1
  Al  Al134  1  0.237423  0.154336  0.529874  1
  Al  Al135  1  0.746187  0.192216  0.460906  1
  Al  Al136  1  0.107833  0.631611  0.470459  1
  Al  Al137  1  0.774500  0.298277  0.470459  1
  Al  Al138  1  0.855782  0.615151  0.503552  1
  Al  Al139  1  0.591902  0.589470  0.544978  1
  Al  Al140  1  0.441167  0.964944  0.470459  1
  Al  Al141  1  0.522449  0.281818  0.503552  1
  Al  Al142  1  0.258569  0.256137  0.544978  1
  Al  Al143  1  0.189115  0.948484  0.503552  1
  Al  Al144  1  0.925236  0.922803  0.544978  1
  Al  Al145  1  0.135505  0.738627  0.481954  1
  Al  Al146  1  0.802171  0.405294  0.481954  1
  Al  Al147  1  0.878581  0.719432  0.516178  1
  Al  Al148  1  0.621518  0.691404  0.559400  1
  Al  Al149  1  0.468838  0.071960  0.481954  1
  Al  Al150  1  0.545248  0.386098  0.516178  1
  Al  Al151  1  0.288185  0.358071  0.559400  1
  Al  Al152  1  0.211915  1.052765  0.516178  1
  Al  Al153  1  0.954851  1.024738  0.559400  1
  Al  Al154  1  0.461724  0.747287  0.566869  1
  Al  Al155  1  0.128391  0.413953  0.566869  1
  Al  Al156  1  0.978674  0.794087  0.485735  1
  Al  Al157  1  0.716567  0.767830  0.528916  1
  Al  Al158  1  0.795056  0.080620  0.566869  1
  Al  Al159  1  0.645341  0.460754  0.485735  1
  Al  Al160  1  0.383234  0.434496  0.528916  1
  Al  Al161  1  0.312008  0.127421  0.485735  1
  Al  Al162  1  0.049901  0.101163  0.528916  1
  Al  Al163  1  0.909336  0.581048  0.629267  1
  Al  Al164  1  0.576004  0.247714  0.629266  1
  Al  Al165  1  0.237534  0.630252  0.575682  1
  Al  Al166  1  0.061935  0.616920  0.600363  1
  Al  Al167  1  0.242668  0.914382  0.629267  1
  Al  Al168  1  0.904202  0.296919  0.575683  1
  Al  Al169  1  0.728602  0.283586  0.600364  1
  Al  Al170  1  0.570868  0.963586  0.575683  1
  Al  Al171  1  0.395269  0.950254  0.600363  1
  Al  Al172  1  0.831545  0.481128  0.635813  1
  Al  Al173  1  0.498212  0.147793  0.635814  1
  Al  Al174  1  0.166838  0.522140  0.572496  1
  Al  Al175  1  0.979188  0.508361  0.598617  1
  Al  Al176  1  0.164877  0.814460  0.635813  1
  Al  Al177  1  0.833505  0.188807  0.572496  1
  Al  Al178  1  0.645855  0.175028  0.598618  1
  Al  Al179  1  0.500172  0.855473  0.572496  1
  Al  Al180  1  0.312521  0.841694  0.598616  1
  Al  Al181  1  0.443763  0.769182  0.618560  1
  Al  Al182  1  0.110433  0.435849  0.618560  1
  Al  Al183  1  0.275319  0.739325  0.648996  1
  Al  Al184  1  0.651917  0.792577  0.576193  1
  Al  Al185  1  0.777092  0.102516  0.618560  1
  Al  Al186  1  0.941987  0.405992  0.648996  1
  Al  Al187  1  0.318583  0.459244  0.576194  1
  Al  Al188  1  0.608650  0.072660  0.648996  1
  Al  Al189  1  0.985249  0.125910  0.576193  1
  Al  Al190  1  0.366393  0.560868  0.591609  1
  Al  Al191  1  0.033058  0.227534  0.591609  1
  Al  Al192  1  0.186991  0.540654  0.620413  1
  Al  Al193  1  0.020934  0.509442  0.649062  1
  Al  Al194  1  0.699725  0.894201  0.591609  1
  Al  Al195  1  0.853653  0.207321  0.620413  1
  Al  Al196  1  0.687595  0.176108  0.649061  1
  Al  Al197  1  0.520324  0.873988  0.620413  1
  Al  Al198  1  0.354266  0.842775  0.649063  1
  Al  Al199  1  0.437064  0.665109  0.602109  1
  Al  Al200  1  0.103728  0.331775  0.602109  1
  Al  Al201  1  0.269532  0.643538  0.627466  1
  Al  Al202  1  0.099096  0.613818  0.650857  1
  Al  Al203  1  0.770396  0.998443  0.602109  1
  Al  Al204  1  0.936196  0.310204  0.627466  1
  Al  Al205  1  0.765760  0.280486  0.650857  1
  Al  Al206  1  0.602865  0.976872  0.627465  1
  Al  Al207  1  0.432429  0.947152  0.650857  1
  Al  Al208  1  0.959814  0.676694  0.646195  1
  Al  Al209  1  0.626477  0.343359  0.646195  1
  Al  Al210  1  0.276195  0.732695  0.593730  1
  Al  Al211  1  0.112872  0.713877  0.621925  1
  Al  Al212  1  0.293147  1.010027  0.646195  1
  Al  Al213  1  0.942861  0.399362  0.593730  1
  Al  Al214  1  0.779538  0.380542  0.621925  1
  Al  Al215  1  0.609528  0.066028  0.593730  1
  Al  Al216  1  0.446205  1.047210  0.621925  1
  H  H217  1  0.719689  0.622451  0.283213  1
  H  H218  1  0.386355  0.289118  0.283213  1
  H  H219  1  0.557215  0.612689  0.323386  1
  H  H220  1  0.986385  0.665299  0.239044  1
  H  H221  1  0.053022  0.955784  0.283213  1
  H  H222  1  0.223881  0.279356  0.323386  1
  H  H223  1  0.653051  0.331966  0.239044  1
  H  H224  1  0.890548  0.946023  0.323386  1
  H  H225  1  0.319718  0.998632  0.239044  1
  H  H226  1  0.438182  0.657225  0.228569  1
  H  H227  1  0.104849  0.323892  0.228569  1
  H  H228  1  0.440778  0.683225  0.292106  1
  H  H229  1  0.241609  0.647867  0.328710  1
  H  H230  1  0.771516  0.990558  0.228569  1
  H  H231  1  0.107444  0.349892  0.292106  1
  H  H232  1  0.908276  0.314534  0.328710  1
  H  H233  1  0.774111  1.016559  0.292106  1
  H  H234  1  0.574943  0.981201  0.328710  1
  H  H235  1  0.687344  0.695110  0.310136  1
  H  H236  1  0.354011  0.361777  0.310136  1
  H  H237  1  0.209307  0.628083  0.239922  1
  H  H238  1  0.854854  0.695318  0.266317  1
  H  H239  1  0.020678  1.028444  0.310136  1
  H  H240  1  0.875973  0.294749  0.239922  1
  H  H241  1  0.521520  0.361984  0.266317  1
  H  H242  1  0.542640  0.961416  0.239922  1
  H  H243  1  0.188187  1.028651  0.266317  1
  H  H244  1  0.832393  0.784410  0.287936  1
  H  H245  1  0.499059  0.451076  0.287936  1
  H  H246  1  0.618556  0.771060  0.333609  1
  H  H247  1  0.210381  0.776960  0.226515  1
  H  H248  1  0.165726  0.117743  0.287936  1
  H  H249  1  0.285222  0.437727  0.333609  1
  H  H250  1  0.877048  0.443627  0.226515  1
  H  H251  1  0.951889  0.104393  0.333609  1
  H  H252  1  0.543715  0.110293  0.226515  1
  H  H253  1  0.892188  0.890983  0.298491  1
  H  H254  1  0.558855  0.557650  0.298491  1
  H  H255  1  0.400732  0.880516  0.232519  1
  H  H256  1  0.179333  0.924734  0.251450  1
  H  H257  1  0.225521  0.224317  0.298491  1
  H  H258  1  0.067399  0.547182  0.232519  1
  H  H259  1  0.845999  0.591400  0.251450  1
  H  H260  1  0.734066  0.213849  0.232519  1
  H  H261  1  0.512666  0.258067  0.251450  1
  H  H262  1  0.834790  0.873594  0.342494  1
  H  H263  1  0.501457  0.540261  0.342494  1
  H  H264  1  0.307033  0.885836  0.227453  1
  H  H265  1  0.015310  0.855924  0.288373  1
  H  H266  1  0.168123  0.206927  0.342495  1
  H  H267  1  0.973699  0.552503  0.227453  1
  H  H268  1  0.681977  0.522591  0.288372  1
  H  H269  1  0.640366  0.219170  0.227453  1
  H  H270  1  0.348643  0.189257  0.288373  1
  H  H271  1  0.768988  0.929498  0.265127  1
  H  H272  1  0.435654  0.596165  0.265127  1
  H  H273  1  0.547690  0.884168  0.308315  1
  H  H274  1  0.703180  0.973573  0.223117  1
  H  H275  1  0.102321  0.262832  0.265127  1
  H  H276  1  0.214356  0.550834  0.308315  1
  H  H277  1  0.369846  0.640239  0.223117  1
  H  H278  1  0.881023  0.217501  0.308315  1
  H  H279  1  0.036513  0.306906  0.223117  1
  H  H280  1  0.703351  0.908562  0.259190  1
  H  H281  1  0.370018  0.575229  0.259190  1
  H  H282  1  0.496751  0.867920  0.337857  1
  H  H283  1  0.979965  0.894972  0.247548  1
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  H  H862  1  0.562358  0.144923  0.674224  1
  H  H863  1  0.504543  0.814237  0.654511  1
  H  H864  1  0.229025  0.811590  0.674224  1
