# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.55126277
_cell_length_b   9.02684338
_cell_length_c   46.69593812
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.29762128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al108 H324'
_cell_volume   7738.8511717
_cell_formula_units_Z   108
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  0.449266  0.304592  0.311309  1
  Al  Al2  1  0.743947  0.280440  0.330534  1
  Al  Al3  1  0.137744  0.488649  0.315446  1
  Al  Al4  1  0.546329  -0.002559  0.299233  1
  Al  Al5  1  0.788110  0.929758  0.325410  1
  Al  Al6  1  0.112438  0.838757  0.319767  1
  Al  Al7  1  0.537087  0.714416  0.318908  1
  Al  Al8  1  0.870793  0.587312  0.334102  1
  Al  Al9  1  0.267572  0.767115  0.318113  1
  Al  Al10  1  0.621045  0.284167  0.310751  1
  Al  Al11  1  0.965251  0.217871  0.320601  1
  Al  Al12  1  0.225995  0.110211  0.328082  1
  Al  Al13  1  0.655950  0.970164  0.332351  1
  Al  Al14  1  0.101508  0.143057  0.309147  1
  Al  Al15  1  0.418288  0.005529  0.310815  1
  Al  Al16  1  0.664448  0.695641  0.307227  1
  Al  Al17  1  0.013161  0.456611  0.323505  1
  Al  Al18  1  0.306440  0.441508  0.331939  1
  Al  Al19  1  0.305815  0.120574  0.374428  1
  Al  Al20  1  0.595494  0.035323  0.413133  1
  Al  Al21  1  0.064439  0.180042  0.362593  1
  Al  Al22  1  0.408046  0.730113  0.332679  1
  Al  Al23  1  0.662851  0.662009  0.363937  1
  Al  Al24  1  0.951909  0.571468  0.384090  1
  Al  Al25  1  0.400127  0.427405  0.390573  1
  Al  Al26  1  0.691163  0.340273  0.416194  1
  Al  Al27  1  0.116907  0.508243  0.368140  1
  Al  Al28  1  0.486165  0.060086  0.353221  1
  Al  Al29  1  0.762423  0.980770  0.379261  1
  Al  Al30  1  0.045542  0.884202  0.398538  1
  Al  Al31  1  0.498379  0.733122  0.402535  1
  Al  Al32  1  0.936116  0.912930  0.346562  1
  Al  Al33  1  0.221310  0.782431  0.371424  1
  Al  Al34  1  0.577066  0.356096  0.361853  1
  Al  Al35  1  0.877663  0.256821  0.366994  1
  Al  Al36  1  0.146186  0.183500  0.412169  1
  Al  Al37  1  0.167643  0.860508  0.458452  1
  Al  Al38  1  0.454065  0.773129  0.486990  1
  Al  Al39  1  0.885633  0.944180  0.432138  1
  Al  Al40  1  0.241339  0.486988  0.424008  1
  Al  Al41  1  0.524220  0.406358  0.447728  1
  Al  Al42  1  0.812181  0.318607  0.470990  1
  Al  Al43  1  0.263345  0.163138  0.469381  1
  Al  Al44  1  0.550407  0.076643  0.494503  1
  Al  Al45  1  0.976757  0.248366  0.441711  1
  Al  Al46  1  0.335116  0.789689  0.434192  1
  Al  Al47  1  0.622164  0.704192  0.455056  1
  Al  Al48  1  0.907404  0.617264  0.477635  1
  Al  Al49  1  0.357630  0.469267  0.478298  1
  Al  Al50  1  0.787441  0.646743  0.422267  1
  Al  Al51  1  0.072648  0.555398  0.449683  1
  Al  Al52  1  0.429369  0.100282  0.440391  1
  Al  Al53  1  0.718392  0.011914  0.463429  1
  Al  Al54  1  1.003117  0.923311  0.486816  1
  Al  Al55  1  0.029277  0.593343  0.533446  1
  Al  Al56  1  0.309184  0.513259  0.564626  1
  Al  Al57  1  0.742189  0.684169  0.509859  1
  Al  Al58  1  0.098443  0.227942  0.497204  1
  Al  Al59  1  0.383200  0.143240  0.526721  1
  Al  Al60  1  0.671191  0.055001  0.547476  1
  Al  Al61  1  0.122885  0.901280  0.544743  1
  Al  Al62  1  0.409724  0.825122  0.572535  1
  Al  Al63  1  0.837811  0.987245  0.517688  1
  Al  Al64  1  0.192353  0.535194  0.508334  1
  Al  Al65  1  0.480035  0.446530  0.532461  1
  Al  Al66  1  0.767861  0.358479  0.557220  1
  Al  Al67  1  0.218336  0.209347  0.553075  1
  Al  Al68  1  0.646586  0.381646  0.502592  1
  Al  Al69  1  0.931933  0.295822  0.526322  1
  Al  Al70  1  0.287617  0.836862  0.518134  1
  Al  Al71  1  0.575609  0.748248  0.541741  1
  Al  Al72  1  0.860373  0.659407  0.564688  1
  Al  Al73  1  0.876927  0.338356  0.616122  1
  Al  Al74  1  0.158977  0.254392  0.635000  1
  Al  Al75  1  0.605330  0.418002  0.589360  1
  Al  Al76  1  0.955199  0.967503  0.567870  1
  Al  Al77  1  0.235756  0.889223  0.606792  1
  Al  Al78  1  0.544688  0.798814  0.627944  1
  Al  Al79  1  0.961306  0.627800  0.640315  1
  Al  Al80  1  0.240343  0.551395  0.656206  1
  Al  Al81  1  0.698387  0.735669  0.598431  1
  Al  Al82  1  0.049766  0.282132  0.581870  1
  Al  Al83  1  0.338955  0.187877  0.617229  1
  Al  Al84  1  0.624802  0.092672  0.631224  1
  Al  Al85  1  0.062566  0.965607  0.628892  1
  Al  Al86  1  0.502239  0.124666  0.577806  1
  Al  Al87  1  0.800520  0.021988  0.607394  1
  Al  Al88  1  0.148681  0.574881  0.597982  1
  Al  Al89  1  0.439741  0.480570  0.639038  1
  Al  Al90  1  0.704201  0.378529  0.653095  1
  Al  Al91  1  0.752047  0.030257  0.663156  1
  Al  Al92  1  0.086825  0.928655  0.683076  1
  Al  Al93  1  0.449415  0.104543  0.658636  1
  Al  Al94  1  0.774693  0.707058  0.651869  1
  Al  Al95  1  0.115586  0.534388  0.666344  1
  Al  Al96  1  0.462956  0.323134  0.689251  1
  Al  Al97  1  0.888118  0.215716  0.677380  1
  Al  Al98  1  0.118814  0.261197  0.687973  1
  Al  Al99  1  0.555377  0.429994  0.672580  1
  Al  Al100  1  0.901155  0.964325  0.646589  1
  Al  Al101  1  0.208494  0.943861  0.682082  1
  Al  Al102  1  0.483922  0.784220  0.674290  1
  Al  Al103  1  0.995294  0.776821  0.683236  1
  Al  Al104  1  0.349074  0.853675  0.662919  1
  Al  Al105  1  0.615711  0.794458  0.680883  1
  Al  Al106  1  1.004572  0.262006  0.664453  1
  Al  Al107  1  0.259989  0.177548  0.675695  1
  Al  Al108  1  0.607059  0.098626  0.684936  1
  H  H109  1  0.553128  0.227594  0.277951  1
  H  H110  1  0.868124  0.161172  0.322869  1
  H  H111  1  0.244506  0.406269  0.292972  1
  H  H112  1  0.585119  0.854986  0.340262  1
  H  H113  1  0.027841  0.123938  0.275414  1
  H  H114  1  0.325196  0.922298  0.299822  1
  H  H115  1  0.402635  0.954151  0.355010  1
  H  H116  1  0.805912  0.095029  0.294369  1
  H  H117  1  0.169235  0.965034  0.338975  1
  H  H118  1  0.695904  0.050227  0.289076  1
  H  H119  1  0.991715  0.953979  0.308485  1
  H  H120  1  0.459629  0.171735  0.268597  1
  H  H121  1  0.551738  0.187405  0.331440  1
  H  H122  1  0.825403  0.083642  0.353103  1
  H  H123  1  0.220171  0.280198  0.289838  1
  H  H124  1  0.601755  0.988701  0.258260  1
  H  H125  1  0.869528  0.958264  0.296823  1
  H  H126  1  0.203704  0.952153  0.282738  1
  H  H127  1  0.732087  0.426108  0.290310  1
  H  H128  1  0.152942  0.654200  0.283157  1
  H  H129  1  0.381362  0.608648  0.294251  1
  H  H130  1  0.916813  0.180369  0.277283  1
  H  H131  1  0.091014  0.363921  0.281890  1
  H  H132  1  0.357922  0.271369  0.291994  1
  H  H133  1  0.596481  0.592474  0.278635  1
  H  H134  1  0.926341  0.452703  0.291516  1
  H  H135  1  0.230817  0.340929  0.345034  1
  H  H136  1  0.517059  0.393610  0.282644  1
  H  H137  1  0.884483  0.306534  0.278920  1
  H  H138  1  0.120569  0.306524  0.339954  1
  H  H139  1  0.641250  0.500162  0.328091  1
  H  H140  1  0.057764  0.529657  0.279235  1
  H  H141  1  0.339113  0.523337  0.291159  1
  H  H142  1  0.704089  0.323451  0.284597  1
  H  H143  1  1.009015  0.309646  0.280538  1
  H  H144  1  0.313877  0.183991  0.327255  1
  H  H145  1  0.460344  0.021574  0.266964  1
  H  H146  1  0.749422  0.712109  0.336747  1
  H  H147  1  0.197353  0.107196  0.280617  1
  H  H148  1  0.509034  0.494032  0.320048  1
  H  H149  1  0.922396  0.615462  0.291758  1
  H  H150  1  0.201979  0.709279  0.285295  1
  H  H151  1  0.720398  0.857747  0.289602  1
  H  H152  1  0.028382  0.834987  0.289232  1
  H  H153  1  0.334716  0.630511  0.355974  1
  H  H154  1  0.628993  0.852557  0.263054  1
  H  H155  1  0.906975  0.782275  0.310357  1
  H  H156  1  0.339592  0.015302  0.280831  1
  H  H157  1  0.787230  0.619238  0.295870  1
  H  H158  1  0.089390  0.980616  0.276710  1
  H  H159  1  0.453472  0.754875  0.287373  1
  H  H160  1  0.572207  0.754637  0.272754  1
  H  H161  1  0.812854  0.732865  0.291542  1
  H  H162  1  0.030480  0.666982  0.297383  1
  H  H163  1  0.425139  0.013866  0.394946  1
  H  H164  1  0.717364  0.917279  0.419301  1
  H  H165  1  0.186336  0.051946  0.371910  1
  H  H166  1  0.440463  0.585938  0.416818  1
  H  H167  1  0.866475  0.786998  0.360938  1
  H  H168  1  0.155443  0.666700  0.392847  1
  H  H169  1  0.241412  0.735490  0.420532  1
  H  H170  1  0.673921  0.891635  0.378224  1
  H  H171  1  0.952621  0.825282  0.392364  1
  H  H172  1  0.560811  0.870249  0.386134  1
  H  H173  1  0.850414  0.780312  0.405359  1
  H  H174  1  0.300874  0.894566  0.353134  1
  H  H175  1  0.377035  0.859867  0.393849  1
  H  H176  1  0.666384  0.752365  0.412890  1
  H  H177  1  0.104786  0.908690  0.364029  1
  H  H178  1  0.479558  0.811017  0.358668  1
  H  H179  1  0.761759  0.721930  0.376350  1
  H  H180  1  0.038369  0.644622  0.403320  1
  H  H181  1  0.522011  0.312030  0.402893  1
  H  H182  1  0.951327  0.377379  0.357004  1
  H  H183  1  0.237794  0.393056  0.380670  1
  H  H184  1  0.687944  0.151641  0.348235  1
  H  H185  1  0.988195  0.061393  0.361803  1
  H  H186  1  0.257887  0.965395  0.399726  1
  H  H187  1  0.478072  0.318782  0.356897  1
  H  H188  1  0.769865  0.237940  0.379430  1
  H  H189  1  0.054333  0.115220  0.406902  1
  H  H190  1  0.372929  0.255069  0.363489  1
  H  H191  1  0.654368  0.176126  0.393974  1
  H  H192  1  0.937098  0.101120  0.410540  1
  H  H193  1  0.475581  0.154996  0.399604  1
  H  H194  1  0.841585  0.383250  0.321736  1
  H  H195  1  0.188715  0.236151  0.372515  1
  H  H196  1  0.581134  0.103828  0.368866  1
  H  H197  1  0.867040  0.032476  0.387082  1
  H  H198  1  0.147747  0.926248  0.410742  1
  H  H199  1  0.335239  0.704924  0.390190  1
  H  H200  1  0.621094  0.613482  0.409119  1
  H  H201  1  0.054888  0.769506  0.353685  1
  H  H202  1  0.346071  0.268450  0.407471  1
  H  H203  1  0.772136  0.467395  0.347839  1
  H  H204  1  0.059662  0.383407  0.388656  1
  H  H205  1  0.564278  0.613104  0.363634  1
  H  H206  1  0.850615  0.527032  0.381216  1
  H  H207  1  0.148962  0.428140  0.414277  1
  H  H208  1  0.463326  0.574767  0.373026  1
  H  H209  1  0.750120  0.483681  0.396279  1
  H  H210  1  0.189652  0.616400  0.342123  1
  H  H211  1  0.570939  0.459200  0.406781  1
  H  H212  1  1.004286  0.652371  0.350424  1
  H  H213  1  0.283836  0.513442  0.380497  1
  H  H214  1  0.400732  0.493092  0.343248  1
  H  H215  1  0.674089  0.404592  0.370244  1
  H  H216  1  0.958575  0.308457  0.394381  1
  H  H217  1  0.284533  0.740180  0.472702  1
  H  H218  1  0.574736  0.654311  0.496591  1
  H  H219  1  1.004248  0.831765  0.441347  1
  H  H220  1  0.299826  0.325301  0.495551  1
  H  H221  1  0.730373  0.500759  0.439893  1
  H  H222  1  0.015346  0.410006  0.466050  1
  H  H223  1  0.100493  0.475905  0.496534  1
  H  H224  1  0.525449  0.653081  0.448050  1
  H  H225  1  0.811074  0.568920  0.469558  1
  H  H226  1  0.418464  0.607471  0.462399  1
  H  H227  1  0.705267  0.522308  0.484818  1
  H  H228  1  0.129941  0.700502  0.431998  1
  H  H229  1  0.238088  0.591118  0.467595  1
  H  H230  1  0.527315  0.501367  0.492596  1
  H  H231  1  0.953583  0.664114  0.435917  1
  H  H232  1  0.336048  0.537764  0.430906  1
  H  H233  1  0.621823  0.456979  0.455350  1
  H  H234  1  0.906157  0.372567  0.479005  1
  H  H235  1  0.383138  0.047116  0.481269  1
  H  H236  1  0.812172  0.223346  0.426436  1
  H  H237  1  0.097488  0.132253  0.452405  1
  H  H238  1  0.535672  0.893762  0.427257  1
  H  H239  1  0.824902  0.804585  0.448215  1
  H  H240  1  0.111369  0.713696  0.475646  1
  H  H241  1  0.335558  0.039742  0.431955  1
  H  H242  1  0.625217  0.948244  0.457206  1
  H  H243  1  0.908356  0.865925  0.478247  1
  H  H244  1  0.227454  0.001139  0.442838  1
  H  H245  1  0.514410  0.912494  0.469385  1
  H  H246  1  0.801467  0.824455  0.492349  1
  H  H247  1  0.333945  0.893185  0.477689  1
  H  H248  1  0.766789  0.072472  0.423303  1
  H  H249  1  0.048028  0.972683  0.445535  1
  H  H250  1  0.428261  0.851445  0.440584  1
  H  H251  1  0.718541  0.757777  0.462444  1
  H  H252  1  1.001181  0.675659  0.486710  1
  H  H253  1  0.191676  0.435742  0.462807  1
  H  H254  1  0.477521  0.349463  0.488048  1
  H  H255  1  0.908120  0.520038  0.430775  1
  H  H256  1  0.206079  0.017087  0.485821  1
  H  H257  1  0.632622  0.201066  0.435355  1
  H  H258  1  0.918460  0.109463  0.457350  1
  H  H259  1  0.426459  0.353670  0.438422  1
  H  H260  1  0.716415  0.265717  0.463198  1
  H  H261  1  1.003725  0.172230  0.487807  1
  H  H262  1  0.322612  0.303547  0.453233  1
  H  H263  1  0.609647  0.218557  0.477051  1
  H  H264  1  0.033423  0.396426  0.424092  1
  H  H265  1  0.429284  0.196539  0.485171  1
  H  H266  1  0.857601  0.372500  0.428736  1
  H  H267  1  0.145375  0.281327  0.456741  1
  H  H268  1  0.247549  0.224106  0.420502  1
  H  H269  1  0.521469  0.161844  0.448950  1
  H  H270  1  0.814244  0.064991  0.471057  1
  H  H271  1  0.146507  0.487050  0.549665  1
  H  H272  1  0.428898  0.393966  0.571913  1
  H  H273  1  0.861004  0.565785  0.519696  1
  H  H274  1  0.159526  0.064036  0.570997  1
  H  H275  1  0.586977  0.240881  0.519186  1
  H  H276  1  0.871819  0.156130  0.541470  1
  H  H277  1  0.951474  0.229157  0.573879  1
  H  H278  1  0.381910  0.395811  0.525697  1
  H  H279  1  0.672571  0.304778  0.549615  1
  H  H280  1  0.275934  0.351607  0.538151  1
  H  H281  1  0.563447  0.264873  0.563086  1
  H  H282  1  0.990490  0.435771  0.508416  1
  H  H283  1  0.099017  0.325557  0.541749  1
  H  H284  1  0.380940  0.240808  0.572252  1
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  H  H431  1  1.010263  0.498859  0.680746  1
  H  H432  1  0.388848  0.355457  0.725306  1
