# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67371703
_cell_length_b   24.74382001
_cell_length_c   35.28632979
_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   9319.42079763
_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  0.035369  0.734799  0.523225  1
  Al  Al2  1  0.065147  0.068830  0.521698  1
  Al  Al3  1  0.081014  0.406657  0.508262  1
  Al  Al4  1  0.050805  0.620958  0.524563  1
  Al  Al5  1  0.064849  0.961253  0.517869  1
  Al  Al6  1  0.063902  0.293951  0.512486  1
  Al  Al7  1  0.268394  0.901173  0.525768  1
  Al  Al8  1  0.264560  0.236879  0.524407  1
  Al  Al9  1  0.271369  0.575353  0.512294  1
  Al  Al10  1  0.245570  0.684942  0.513233  1
  Al  Al11  1  0.276274  1.013889  0.522632  1
  Al  Al12  1  0.279205  0.347310  0.523902  1
  Al  Al13  1  0.257442  0.788198  0.530480  1
  Al  Al14  1  0.269801  0.128956  0.523541  1
  Al  Al15  1  0.286052  0.462787  0.518881  1
  Al  Al16  1  0.061533  0.847525  0.515285  1
  Al  Al17  1  0.055873  0.179220  0.517275  1
  Al  Al18  1  0.071220  0.516751  0.509240  1
  Al  Al19  1  0.041065  0.682104  0.589391  1
  Al  Al20  1  0.062802  1.015306  0.590629  1
  Al  Al21  1  0.037118  0.355298  0.573984  1
  Al  Al22  1  0.064408  0.570815  0.594142  1
  Al  Al23  1  0.053077  0.907636  0.580910  1
  Al  Al24  1  0.043277  0.241426  0.579061  1
  Al  Al25  1  0.276537  0.849284  0.595751  1
  Al  Al26  1  0.274336  0.186709  0.593612  1
  Al  Al27  1  0.295835  0.523053  0.581753  1
  Al  Al28  1  0.280146  0.634666  0.577063  1
  Al  Al29  1  0.298679  0.961222  0.589337  1
  Al  Al30  1  0.268570  0.298897  0.591982  1
  Al  Al31  1  0.265344  0.737688  0.599627  1
  Al  Al32  1  0.287919  0.075210  0.587133  1
  Al  Al33  1  0.284202  0.409480  0.587571  1
  Al  Al34  1  0.041327  0.797353  0.584393  1
  Al  Al35  1  0.045419  0.127636  0.585060  1
  Al  Al36  1  0.063112  0.466880  0.573294  1
  Al  Al37  1  0.049129  0.637754  0.660840  1
  Al  Al38  1  0.053371  0.971319  0.664681  1
  Al  Al39  1  0.050967  0.308756  0.643846  1
  Al  Al40  1  0.073020  0.526930  0.668056  1
  Al  Al41  1  0.057446  0.862355  0.650403  1
  Al  Al42  1  0.061479  0.194781  0.648717  1
  Al  Al43  1  0.279744  0.803899  0.669676  1
  Al  Al44  1  0.285712  0.138326  0.664379  1
  Al  Al45  1  0.298150  0.474631  0.652912  1
  Al  Al46  1  0.281967  0.588512  0.646503  1
  Al  Al47  1  0.282274  0.915705  0.662326  1
  Al  Al48  1  0.280573  0.252063  0.663572  1
  Al  Al49  1  0.272550  0.691755  0.673550  1
  Al  Al50  1  0.281957  1.026665  0.654591  1
  Al  Al51  1  0.281102  0.363398  0.660617  1
  Al  Al52  1  0.055764  0.750147  0.655327  1
  Al  Al53  1  0.060313  0.083230  0.657356  1
  Al  Al54  1  0.062594  0.422323  0.640813  1
  Al  Al55  1  0.053901  0.596474  0.733231  1
  Al  Al56  1  0.056394  0.927690  0.737533  1
  Al  Al57  1  0.061664  0.265964  0.715767  1
  Al  Al58  1  0.075264  0.484213  0.738075  1
  Al  Al59  1  0.063755  0.818808  0.722463  1
  Al  Al60  1  0.051200  0.153050  0.721411  1
  Al  Al61  1  0.285930  0.762963  0.743595  1
  Al  Al62  1  0.275897  0.096960  0.736793  1
  Al  Al63  1  0.304763  0.434411  0.725656  1
  Al  Al64  1  0.286043  0.546231  0.719295  1
  Al  Al65  1  0.285257  0.875051  0.735542  1
  Al  Al66  1  0.281194  0.208338  0.734923  1
  Al  Al67  1  0.282832  0.650573  0.745697  1
  Al  Al68  1  0.278899  0.986308  0.726797  1
  Al  Al69  1  0.291301  0.320383  0.732083  1
  Al  Al70  1  0.062157  0.707845  0.727715  1
  Al  Al71  1  0.052008  1.040653  0.730007  1
  Al  Al72  1  0.076902  0.379645  0.711639  1
  Al  Al73  1  0.058876  0.549081  0.803046  1
  Al  Al74  1  0.061277  0.884766  0.807908  1
  Al  Al75  1  0.059385  0.220957  0.788159  1
  Al  Al76  1  0.063074  0.434737  0.804054  1
  Al  Al77  1  0.065217  0.774791  0.797544  1
  Al  Al78  1  0.049051  0.107541  0.794091  1
  Al  Al79  1  0.303209  0.715515  0.814078  1
  Al  Al80  1  0.285035  1.051689  0.806641  1
  Al  Al81  1  0.307223  0.387249  0.798170  1
  Al  Al82  1  0.291041  0.497629  0.794343  1
  Al  Al83  1  0.292639  0.828148  0.807210  1
  Al  Al84  1  0.287075  0.162586  0.804316  1
  Al  Al85  1  0.295092  0.601876  0.813308  1
  Al  Al86  1  0.293259  0.942412  0.800771  1
  Al  Al87  1  0.302836  0.273974  0.801854  1
  Al  Al88  1  0.072115  0.662561  0.799456  1
  Al  Al89  1  0.058888  0.994644  0.802020  1
  Al  Al90  1  0.082520  0.331902  0.784529  1
  Al  Al91  1  0.047450  0.493355  0.867358  1
  Al  Al92  1  0.074101  0.831680  0.871194  1
  Al  Al93  1  0.065995  0.170787  0.856758  1
  Al  Al94  1  0.073085  0.385225  0.869885  1
  Al  Al95  1  0.064582  0.721584  0.865719  1
  Al  Al96  1  0.068830  1.058273  0.863554  1
  Al  Al97  1  0.259401  0.660413  0.878019  1
  Al  Al98  1  0.276648  0.999767  0.871845  1
  Al  Al99  1  0.287456  0.334366  0.865595  1
  Al  Al100  1  0.274311  0.444911  0.863306  1
  Al  Al101  1  0.276462  0.776659  0.875733  1
  Al  Al102  1  0.273721  0.114264  0.870897  1
  Al  Al103  1  0.247022  0.550418  0.876480  1
  Al  Al104  1  0.281241  0.889787  0.868691  1
  Al  Al105  1  0.275852  0.224985  0.868863  1
  Al  Al106  1  0.045678  0.609642  0.865987  1
  Al  Al107  1  0.068413  0.946632  0.871779  1
  Al  Al108  1  0.071592  0.282255  0.853552  1
  H  H109  1  0.115459  0.578446  0.467100  1
  H  H110  1  -0.099126  0.937339  0.477290  1
  H  H111  1  -0.085928  0.261187  0.473218  1
  H  H112  1  0.421354  0.634043  0.526102  1
  H  H113  1  0.342077  0.969115  0.469083  1
  H  H114  1  0.222116  0.298823  0.468619  1
  H  H115  1  0.070889  0.678861  0.474211  1
  H  H116  1  -0.114281  0.953244  0.549262  1
  H  H117  1  -0.108244  0.301948  0.477358  1
  H  H118  1  -0.101921  0.829694  0.476744  1
  H  H119  1  -0.088589  0.079520  0.481648  1
  H  H120  1  -0.036501  0.401442  0.455738  1
  H  H121  1  -0.191375  0.925996  0.461305  1
  H  H122  1  0.648464  0.186774  0.510282  1
  H  H123  1  0.798964  0.542494  0.480752  1
  H  H124  1  -0.105418  0.848768  0.552809  1
  H  H125  1  0.131068  0.227877  0.470488  1
  H  H126  1  -0.098830  0.483108  0.534894  1
  H  H127  1  0.137584  0.909938  0.472062  1
  H  H128  1  0.412363  0.182964  0.493053  1
  H  H129  1  0.417826  0.558755  0.467599  1
  H  H130  1  0.558350  0.827257  0.462198  1
  H  H131  1  0.329601  0.180226  0.472491  1
  H  H132  1  0.337899  0.542081  0.455032  1
  H  H133  1  0.129380  0.778365  0.475310  1
  H  H134  1  0.136130  0.119970  0.472976  1
  H  H135  1  -0.116365  0.380329  0.526427  1
  H  H136  1  -0.031129  0.841079  0.457960  1
  H  H137  1  -0.096636  0.119382  0.495865  1
  H  H138  1  -0.054378  0.459947  0.481501  1
  H  H139  1  -0.115635  0.669505  0.518562  1
  H  H140  1  0.061967  1.016699  0.471469  1
  H  H141  1  0.038124  0.374206  0.449718  1
  H  H142  1  0.239664  0.840068  0.477177  1
  H  H143  1  0.357584  0.072521  0.486107  1
  H  H144  1  0.168949  0.467401  0.464304  1
  H  H145  1  0.351955  0.745345  0.478611  1
  H  H146  1  0.444262  1.020826  0.561162  1
  H  H147  1  0.257413  0.398858  0.471553  1
  H  H148  1  0.417895  0.737812  0.505030  1
  H  H149  1  0.562996  0.070435  0.436537  1
  H  H150  1  0.496891  0.337832  0.518118  1
  H  H151  1  0.606604  0.801053  0.481037  1
  H  H152  1  0.558812  0.111081  0.446312  1
  H  H153  1  0.440986  0.455412  0.475016  1
  H  H154  1  0.571148  0.785872  0.455158  1
  H  H155  1  0.643945  0.095036  0.435665  1
  H  H156  1  0.466519  0.357174  0.493506  1
  H  H157  1  0.782624  0.578510  0.493569  1
  H  H158  1  0.800699  0.959539  0.478410  1
  H  H159  1  0.649624  0.229131  0.514554  1
  H  H160  1  0.289270  0.640801  0.466757  1
  H  H161  1  0.372205  0.927991  0.472278  1
  H  H162  1  0.339516  0.285123  0.477206  1
  H  H163  1  -0.099915  0.568184  0.489012  1
  H  H164  1  0.656595  0.873611  0.547461  1
  H  H165  1  0.731355  0.209139  0.503743  1
  H  H166  1  0.445261  0.585978  0.597467  1
  H  H167  1  0.435494  0.956078  0.536825  1
  H  H168  1  0.428674  0.284615  0.545601  1
  H  H169  1  -0.102385  0.581770  0.557803  1
  H  H170  1  -0.113016  0.893131  0.617178  1
  H  H171  1  -0.120275  0.223722  0.618812  1
  H  H172  1  -0.149239  0.722374  0.494354  1
  H  H173  1  0.765765  1.051112  0.575621  1
  H  H174  1  0.758293  0.356793  0.525615  1
  H  H175  1  0.669989  0.890364  0.520007  1
  H  H176  1  0.657141  0.182669  0.584767  1
  H  H177  1  0.674836  0.505985  0.554720  1
  H  H178  1  -0.105057  0.798965  0.630947  1
  H  H179  1  -0.108538  0.179652  0.556297  1
  H  H180  1  -0.066508  0.498211  0.621681  1
  H  H181  1  0.419293  0.843291  0.523111  1
  H  H182  1  0.447245  0.144814  0.618486  1
  H  H183  1  0.467335  0.480247  0.609110  1
  H  H184  1  0.653656  0.764359  0.574388  1
  H  H185  1  0.444289  0.111853  0.551765  1
  H  H186  1  0.493628  0.461484  0.499164  1
  H  H187  1  -0.115573  0.738498  0.569788  1
  H  H188  1  -0.104823  0.062385  0.561505  1
  H  H189  1  -0.106730  0.418770  0.594170  1
  H  H190  1  -0.142963  0.765851  0.497420  1
  H  H191  1  0.771965  0.091377  0.576005  1
  H  H192  1  0.759960  0.397067  0.526034  1
  H  H193  1  0.705359  0.636047  0.574387  1
  H  H194  1  -0.119234  0.962081  0.588185  1
  H  H195  1  -0.108763  0.287180  0.551709  1
  H  H196  1  0.421863  0.788567  0.570910  1
  H  H197  1  0.437909  0.085812  0.632822  1
  H  H198  1  0.447763  0.426624  0.548808  1
  H  H199  1  0.456835  0.687820  0.589952  1
  H  H200  1  0.463084  0.988248  0.629222  1
  H  H201  1  0.452792  0.347397  0.594849  1
  H  H202  1  0.502767  0.690317  0.562459  1
  H  H203  1  0.609648  1.037460  0.507318  1
  H  H204  1  0.579635  0.341310  0.587866  1
  H  H205  1  0.676633  0.772846  0.545934  1
  H  H206  1  0.609935  0.078762  0.517329  1
  H  H207  1  0.651105  0.415887  0.597247  1
  H  H208  1  0.628197  0.735864  0.552136  1
  H  H209  1  0.692051  0.061449  0.505427  1
  H  H210  1  0.648101  0.370207  0.590037  1
  H  H211  1  0.641498  0.534471  0.574847  1
  H  H212  1  0.660601  0.916341  0.543956  1
  H  H213  1  0.655542  0.225197  0.589769  1
  H  H214  1  0.437660  0.528819  0.534872  1
  H  H215  1  0.456256  0.895100  0.585345  1
  H  H216  1  0.437385  0.208314  0.555328  1
  H  H217  1  0.729221  0.514396  0.579799  1
  H  H218  1  0.691751  0.848593  0.649433  1
  H  H219  1  0.653322  0.197657  0.613087  1
  H  H220  1  0.452141  0.562340  0.680885  1
  H  H221  1  0.455223  0.917241  0.624041  1
  H  H222  1  0.429733  0.247314  0.614782  1
  H  H223  1  -0.108757  0.597866  0.625088  1
  H  H224  1  -0.109529  0.850753  0.690953  1
  H  H225  1  -0.107630  0.190698  0.686376  1
  H  H226  1  0.669790  0.629620  0.602272  1
  H  H227  1  0.785715  0.967538  0.657398  1
  H  H228  1  -0.151228  0.324051  0.620924  1
  H  H229  1  0.671415  0.846244  0.619799  1
  H  H230  1  0.681350  0.142635  0.683038  1
  H  H231  1  0.716497  0.500937  0.654187  1
  H  H232  1  -0.095486  0.756748  0.701203  1
  H  H233  1  -0.101106  0.131787  0.631620  1
  H  H234  1  -0.093447  0.425616  0.688030  1
  H  H235  1  0.446308  0.809920  0.627444  1
  H  H236  1  0.456451  0.112712  0.700948  1
  H  H237  1  0.479800  0.458643  0.686408  1
  H  H238  1  0.669026  0.747752  0.674088  1
  H  H239  1  0.669888  0.099440  0.649596  1
  H  H240  1  0.585726  0.441535  0.608025  1
  H  H241  1  -0.102955  0.696098  0.637596  1
  H  H242  1  -0.096738  1.030124  0.635155  1
  H  H243  1  -0.090445  0.326333  0.693726  1
  H  H244  1  0.724416  0.665149  0.596639  1
  H  H245  1  0.795603  1.008421  0.656585  1
  H  H246  1  -0.126162  0.377957  0.629816  1
  H  H247  1  -0.108340  0.576725  0.668338  1
  H  H248  1  -0.115994  0.915605  0.660406  1
  H  H249  1  -0.149588  0.273609  0.634578  1
  H  H250  1  0.423787  0.745208  0.643259  1
  H  H251  1  0.422424  1.049603  0.701422  1
  H  H252  1  0.441783  0.404789  0.632823  1
  H  H253  1  0.458267  0.644525  0.655202  1
  H  H254  1  0.453430  0.949620  0.695519  1
  H  H255  1  0.457369  0.307261  0.663230  1
  H  H256  1  0.547269  0.659360  0.661773  1
  H  H257  1  0.608073  0.977816  0.603184  1
  H  H258  1  0.579606  0.313018  0.659317  1
  H  H259  1  0.683865  0.744693  0.644782  1
  H  H260  1  0.624028  0.072946  0.635166  1
  H  H261  1  0.660240  0.391241  0.671201  1
  H  H262  1  0.637156  0.711485  0.659310  1
  H  H263  1  0.594376  1.009753  0.619131  1
  H  H264  1  0.632795  0.347812  0.661048  1
  H  H265  1  0.674948  0.539865  0.651214  1
  H  H266  1  0.666730  0.884133  0.634153  1
  H  H267  1  0.663150  0.183286  0.693588  1
  H  H268  1  0.453144  0.533522  0.631115  1
  H  H269  1  0.455506  0.855131  0.659706  1
  H  H270  1  0.455088  0.195356  0.656524  1
  H  H271  1  0.681563  0.521805  0.678575  1
  H  H272  1  0.701063  0.803165  0.733995  1
  H  H273  1  0.687469  0.153218  0.713198  1
  H  H274  1  0.459767  0.523291  0.755999  1
  H  H275  1  0.455814  0.879912  0.696868  1
  H  H276  1  0.450082  0.218229  0.694355  1
  H  H277  1  -0.094093  0.481940  0.696595  1
  H  H278  1  -0.100588  0.810063  0.763683  1
  H  H279  1  -0.121204  0.134435  0.757816  1
  H  H280  1  0.775088  0.626110  0.679282  1
  H  H281  1  0.774419  0.926230  0.727071  1
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