# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07865028
_cell_length_b   23.49473422
_cell_length_c   38.61946169
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al108 H324'
_cell_volume   9144.90352122
_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  0.117953  0.140841  0.472185  1
  Al  Al2  1  0.047928  0.490257  0.502111  1
  Al  Al3  1  0.056521  0.828747  0.472901  1
  Al  Al4  1  0.089291  1.029181  0.488681  1
  Al  Al5  1  0.060676  0.374803  0.487805  1
  Al  Al6  1  0.047376  0.718317  0.494361  1
  Al  Al7  1  0.273539  0.319773  0.469997  1
  Al  Al8  1  0.258650  0.659940  0.475926  1
  Al  Al9  1  0.328664  0.985797  0.482195  1
  Al  Al10  1  0.332093  0.091738  0.497370  1
  Al  Al11  1  0.254816  0.439738  0.470782  1
  Al  Al12  1  0.269831  0.768643  0.471583  1
  Al  Al13  1  0.325683  0.202714  0.477877  1
  Al  Al14  1  0.243092  0.550787  0.475719  1
  Al  Al15  1  0.307658  0.872802  0.489630  1
  Al  Al16  1  0.087028  0.248749  0.492556  1
  Al  Al17  1  0.045763  0.608205  0.506574  1
  Al  Al18  1  0.131670  0.932749  0.455014  1
  Al  Al19  1  0.093679  0.111072  0.536580  1
  Al  Al20  1  0.082739  0.433185  0.559917  1
  Al  Al21  1  0.063855  0.797375  0.541728  1
  Al  Al22  1  0.077010  1.003109  0.559391  1
  Al  Al23  1  0.069775  0.322749  0.548428  1
  Al  Al24  1  0.088291  0.674831  0.565265  1
  Al  Al25  1  0.320099  0.271264  0.532440  1
  Al  Al26  1  0.321241  0.608817  0.535553  1
  Al  Al27  1  0.309934  0.945453  0.546333  1
  Al  Al28  1  0.321144  1.054698  0.568591  1
  Al  Al29  1  0.319325  0.382274  0.526573  1
  Al  Al30  1  0.304273  0.725761  0.533670  1
  Al  Al31  1  0.343271  0.164245  0.551036  1
  Al  Al32  1  0.323806  0.493638  0.531757  1
  Al  Al33  1  0.311981  0.832283  0.557222  1
  Al  Al34  1  0.088219  0.213195  0.561415  1
  Al  Al35  1  0.100196  0.550388  0.564735  1
  Al  Al36  1  0.055127  0.913686  0.517649  1
  Al  Al37  1  0.090532  0.091199  0.607567  1
  Al  Al38  1  0.072448  0.422994  0.631523  1
  Al  Al39  1  0.078465  0.777261  0.611047  1
  Al  Al40  1  0.079871  0.982517  0.631680  1
  Al  Al41  1  0.072515  0.306661  0.622718  1
  Al  Al42  1  0.099328  0.660249  0.636339  1
  Al  Al43  1  0.303601  0.251198  0.602179  1
  Al  Al44  1  0.306773  0.598637  0.605642  1
  Al  Al45  1  0.319162  0.924480  0.616709  1
  Al  Al46  1  0.321970  1.033897  0.642724  1
  Al  Al47  1  0.282762  0.366288  0.594623  1
  Al  Al48  1  0.312216  0.714506  0.603283  1
  Al  Al49  1  0.326832  0.143720  0.624373  1
  Al  Al50  1  0.300702  0.481612  0.601667  1
  Al  Al51  1  0.324023  0.813177  0.637306  1
  Al  Al52  1  0.075356  0.194524  0.634670  1
  Al  Al53  1  0.092456  0.539455  0.635364  1
  Al  Al54  1  0.088146  0.889973  0.585487  1
  Al  Al55  1  0.093471  0.072364  0.679802  1
  Al  Al56  1  0.062354  0.411615  0.702612  1
  Al  Al57  1  0.091393  0.762349  0.682017  1
  Al  Al58  1  0.080284  0.961287  0.703908  1
  Al  Al59  1  0.067872  0.294406  0.697723  1
  Al  Al60  1  0.090044  0.650278  0.706302  1
  Al  Al61  1  0.296450  0.237457  0.674399  1
  Al  Al62  1  0.300309  0.583785  0.677327  1
  Al  Al63  1  0.326672  0.913198  0.687953  1
  Al  Al64  1  0.317831  1.018805  0.715638  1
  Al  Al65  1  0.274662  0.352563  0.667842  1
  Al  Al66  1  0.323228  0.699725  0.677010  1
  Al  Al67  1  0.325655  0.128637  0.695585  1
  Al  Al68  1  0.282014  0.467437  0.673680  1
  Al  Al69  1  0.332671  0.801809  0.710601  1
  Al  Al70  1  0.075619  0.179001  0.706237  1
  Al  Al71  1  0.076224  0.531441  0.706361  1
  Al  Al72  1  0.096478  0.871993  0.656562  1
  Al  Al73  1  0.078156  1.051533  0.752792  1
  Al  Al74  1  0.032888  0.404897  0.771282  1
  Al  Al75  1  0.052354  0.741159  0.755055  1
  Al  Al76  1  0.056826  0.937612  0.775394  1
  Al  Al77  1  0.046569  0.286002  0.769321  1
  Al  Al78  1  0.024837  0.631996  0.772100  1
  Al  Al79  1  0.283100  0.223992  0.747169  1
  Al  Al80  1  0.283919  0.580051  0.749887  1
  Al  Al81  1  0.312228  0.893428  0.758848  1
  Al  Al82  1  0.299175  0.995676  0.786524  1
  Al  Al83  1  0.263350  0.346392  0.741447  1
  Al  Al84  1  0.302001  0.691659  0.748408  1
  Al  Al85  1  0.313864  0.109042  0.766617  1
  Al  Al86  1  0.272693  0.464969  0.746070  1
  Al  Al87  1  0.309060  0.784751  0.783698  1
  Al  Al88  1  0.065594  0.163947  0.774731  1
  Al  Al89  1  0.043188  0.520021  0.774107  1
  Al  Al90  1  0.086071  0.848993  0.729931  1
  Al  Al91  1  0.060496  1.022879  0.822499  1
  Al  Al92  1  0.095644  0.349449  0.828940  1
  Al  Al93  1  0.017087  0.706114  0.822210  1
  Al  Al94  1  0.057182  0.910802  0.843873  1
  Al  Al95  1  0.087309  0.237307  0.830880  1
  Al  Al96  1  0.078200  0.582923  0.832180  1
  Al  Al97  1  0.312376  0.182764  0.819431  1
  Al  Al98  1  0.293342  0.531391  0.810911  1
  Al  Al99  1  0.293828  0.870864  0.827774  1
  Al  Al100  1  0.262824  0.971757  0.854256  1
  Al  Al101  1  0.301384  0.292038  0.804454  1
  Al  Al102  1  0.255723  0.660650  0.814571  1
  Al  Al103  1  0.313102  0.074314  0.835462  1
  Al  Al104  1  0.306242  0.406188  0.803534  1
  Al  Al105  1  0.204270  0.767410  0.844454  1
  Al  Al106  1  0.089708  0.128094  0.838937  1
  Al  Al107  1  0.105673  0.462098  0.830339  1
  Al  Al108  1  0.047476  0.825346  0.801559  1
  H  H109  1  -0.170297  1.025475  0.424450  1
  H  H110  1  0.042612  0.338267  0.431728  1
  H  H111  1  0.129448  0.711901  0.438500  1
  H  H112  1  0.409222  1.056645  0.444275  1
  H  H113  1  0.438835  0.387320  0.472732  1
  H  H114  1  0.371576  0.727684  0.424758  1
  H  H115  1  -0.099328  1.066059  0.490751  1
  H  H116  1  0.019401  0.383212  0.430131  1
  H  H117  1  -0.030450  0.754180  0.444897  1
  H  H118  1  -0.017526  0.180352  0.434301  1
  H  H119  1  -0.126113  0.484382  0.466624  1
  H  H120  1  -0.005777  0.838654  0.403682  1
  H  H121  1  0.773666  0.305632  0.439449  1
  H  H122  1  0.776935  0.640531  0.463886  1
  H  H123  1  0.796987  0.983647  0.416665  1
  H  H124  1  0.189396  0.249481  0.437431  1
  H  H125  1  0.102334  0.605828  0.446608  1
  H  H126  1  -0.063275  0.959490  0.473446  1
  H  H127  1  0.440744  0.304830  0.430816  1
  H  H128  1  0.432581  0.601491  0.480268  1
  H  H129  1  0.237978  0.995858  0.428634  1
  H  H130  1  0.363861  0.326491  0.417282  1
  H  H131  1  0.466911  0.582269  0.409756  1
  H  H132  1  0.472053  0.953964  0.439720  1
  H  H133  1  -0.057407  0.168754  0.501840  1
  H  H134  1  0.101611  0.493710  0.443429  1
  H  H135  1  0.819805  0.842079  0.453774  1
  H  H136  1  -0.035913  0.222790  0.443970  1
  H  H137  1  -0.085147  0.548158  0.476530  1
  H  H138  1  0.011795  0.881238  0.421166  1
  H  H139  1  0.061150  0.072525  0.439127  1
  H  H140  1  -0.107864  0.437570  0.471784  1
  H  H141  1  -0.006553  0.797596  0.417033  1
  H  H142  1  0.312324  0.213830  0.417048  1
  H  H143  1  0.429466  0.498543  0.477043  1
  H  H144  1  0.275854  0.884189  0.427068  1
  H  H145  1  0.293998  0.118072  0.440227  1
  H  H146  1  0.509364  0.435049  0.526885  1
  H  H147  1  0.230467  0.823508  0.427703  1
  H  H148  1  0.542945  0.122216  0.498553  1
  H  H149  1  0.312957  0.499883  0.432917  1
  H  H150  1  0.463358  0.811465  0.462157  1
  H  H151  1  0.535629  0.206396  0.453988  1
  H  H152  1  0.554281  0.565262  0.422274  1
  H  H153  1  0.515643  0.914053  0.440859  1
  H  H154  1  0.353845  0.172003  0.420160  1
  H  H155  1  0.518017  0.546153  0.399396  1
  H  H156  1  0.485204  0.857432  0.453544  1
  H  H157  1  0.727988  1.017162  0.418889  1
  H  H158  1  0.752950  0.342449  0.453660  1
  H  H159  1  0.774448  0.680050  0.474583  1
  H  H160  1  0.492309  1.039737  0.462760  1
  H  H161  1  0.269942  0.384259  0.427224  1
  H  H162  1  0.370331  0.682579  0.426716  1
  H  H163  1  0.723632  0.962722  0.508973  1
  H  H164  1  -0.167670  0.312823  0.463225  1
  H  H165  1  -0.104416  0.656310  0.468815  1
  H  H166  1  0.469697  1.026828  0.523564  1
  H  H167  1  0.486929  0.377018  0.565281  1
  H  H168  1  0.450254  0.713297  0.487183  1
  H  H169  1  -0.083478  1.028049  0.596594  1
  H  H170  1  -0.110859  0.360738  0.519762  1
  H  H171  1  -0.094781  0.675996  0.532246  1
  H  H172  1  0.784536  0.162490  0.486309  1
  H  H173  1  0.776531  0.433092  0.560566  1
  H  H174  1  0.721868  0.828270  0.465567  1
  H  H175  1  0.686478  0.292291  0.516778  1
  H  H176  1  0.683191  0.621967  0.543737  1
  H  H177  1  0.690678  0.975624  0.483177  1
  H  H178  1  -0.081551  0.253514  0.530746  1
  H  H179  1  -0.099050  0.567778  0.541589  1
  H  H180  1  -0.091439  0.934976  0.559262  1
  H  H181  1  0.496858  0.254365  0.569720  1
  H  H182  1  0.482987  0.568753  0.570327  1
  H  H183  1  0.481248  0.928023  0.506368  1
  H  H184  1  0.507286  0.249751  0.453207  1
  H  H185  1  0.641423  0.569976  0.514103  1
  H  H186  1  0.647741  0.864038  0.534820  1
  H  H187  1  -0.082167  0.148362  0.561946  1
  H  H188  1  -0.128044  0.468403  0.534836  1
  H  H189  1  -0.106487  0.849144  0.515548  1
  H  H190  1  0.769919  0.203038  0.484175  1
  H  H191  1  0.766299  0.474963  0.554106  1
  H  H192  1  0.739506  0.872264  0.463407  1
  H  H193  1  -0.087712  1.049892  0.528071  1
  H  H194  1  -0.113609  0.378603  0.557413  1
  H  H195  1  -0.113747  0.778077  0.505350  1
  H  H196  1  0.493158  0.217213  0.517817  1
  H  H197  1  0.487636  0.511305  0.569847  1
  H  H198  1  0.487538  0.858680  0.521697  1
  H  H199  1  0.521245  0.104089  0.564867  1
  H  H200  1  0.480374  0.419623  0.601277  1
  H  H201  1  0.493499  0.773791  0.545516  1
  H  H202  1  0.641714  0.087873  0.556972  1
  H  H203  1  0.614222  0.443823  0.505934  1
  H  H204  1  0.611429  0.757273  0.533573  1
  H  H205  1  0.692186  0.186854  0.548315  1
  H  H206  1  0.663891  0.534094  0.501650  1
  H  H207  1  0.698763  0.839742  0.551344  1
  H  H208  1  0.510740  0.143883  0.472685  1
  H  H209  1  0.652348  0.481082  0.497018  1
  H  H210  1  0.672648  0.791148  0.539597  1
  H  H211  1  0.696375  1.006534  0.503518  1
  H  H212  1  0.672542  0.334698  0.527770  1
  H  H213  1  0.703871  0.660664  0.559194  1
  H  H214  1  0.499055  0.994515  0.558987  1
  H  H215  1  0.468197  0.323118  0.499129  1
  H  H216  1  0.482530  0.668771  0.515893  1
  H  H217  1  0.707592  0.942471  0.599543  1
  H  H218  1  0.694887  0.298843  0.544304  1
  H  H219  1  0.707250  0.620302  0.571381  1
  H  H220  1  0.484490  1.013893  0.601298  1
  H  H221  1  0.447899  0.377114  0.633884  1
  H  H222  1  0.463872  0.675150  0.564286  1
  H  H223  1  -0.093849  0.990070  0.670001  1
  H  H224  1  -0.103559  0.304976  0.585325  1
  H  H225  1  -0.090879  0.659301  0.602880  1
  H  H226  1  -0.118008  0.133385  0.601419  1
  H  H227  1  -0.156599  0.411008  0.625524  1
  H  H228  1  -0.113635  0.765349  0.573226  1
  H  H229  1  0.687871  0.290041  0.611450  1
  H  H230  1  0.702111  0.614033  0.640627  1
  H  H231  1  0.707138  0.975218  0.578907  1
  H  H232  1  -0.080442  0.241291  0.599417  1
  H  H233  1  -0.051861  0.595488  0.604197  1
  H  H234  1  -0.074840  0.912762  0.626120  1
  H  H235  1  0.469518  0.269211  0.639605  1
  H  H236  1  0.472415  0.565740  0.639929  1
  H  H237  1  0.487123  0.912767  0.577310  1
  H  H238  1  0.689226  0.190064  0.573717  1
  H  H239  1  0.722167  0.555786  0.625104  1
  H  H240  1  0.702804  0.880409  0.613308  1
  H  H241  1  -0.073567  0.137252  0.668189  1
  H  H242  1  -0.046073  0.491746  0.596309  1
  H  H243  1  -0.081272  0.810052  0.649488  1
  H  H244  1  -0.143044  0.168881  0.624015  1
  H  H245  1  -0.146959  0.448173  0.644859  1
  H  H246  1  -0.089731  0.829968  0.583339  1
  H  H247  1  -0.082664  1.050187  0.640536  1
  H  H248  1  -0.097819  0.365926  0.608330  1
  H  H249  1  -0.099999  0.718466  0.596670  1
  H  H250  1  0.488037  0.190433  0.596076  1
  H  H251  1  0.453927  0.505125  0.644355  1
  H  H252  1  0.468515  0.854459  0.595775  1
  H  H253  1  0.518267  0.089290  0.632977  1
  H  H254  1  0.463866  0.407735  0.675567  1
  H  H255  1  0.505636  0.764377  0.612635  1
  H  H256  1  0.639200  1.065625  0.644759  1
  H  H257  1  0.606671  0.442863  0.609931  1
  H  H258  1  0.625093  0.742968  0.600926  1
  H  H259  1  0.722422  0.191684  0.639794  1
  H  H260  1  0.703582  0.524989  0.608056  1
  H  H261  1  0.695990  0.840079  0.619366  1
  H  H262  1  0.672796  0.130258  0.557424  1
  H  H263  1  0.656363  0.480195  0.613914  1
  H  H264  1  0.653643  0.782781  0.607439  1
  H  H265  1  0.735546  0.987675  0.604497  1
  H  H266  1  0.668087  0.332062  0.620742  1
  H  H267  1  0.707278  0.660939  0.642416  1
  H  H268  1  0.501101  0.976024  0.632802  1
  H  H269  1  0.470008  0.313711  0.579180  1
  H  H270  1  0.495299  0.653296  0.604019  1
  H  H271  1  0.694422  0.898298  0.680098  1
  H  H272  1  0.716002  0.301837  0.637595  1
  H  H273  1  0.702154  0.637547  0.665574  1
  H  H274  1  0.476620  0.985872  0.675669  1
  H  H275  1  0.427733  0.310808  0.704650  1
  H  H276  1  0.478147  0.674856  0.638089  1
  H  H277  1  -0.107749  0.965058  0.737432  1
  H  H278  1  -0.106822  0.291789  0.658284  1
  H  H279  1  -0.071971  0.623554  0.668239  1
  H  H280  1  0.792764  0.118593  0.682754  1
  H  H281  1  -0.166639  0.395642  0.702409  1
  H  H282  1  0.816530  0.757693  0.655591  1
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