# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71128612
_cell_length_b   24.79936772
_cell_length_c   46.52512090
_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   8897.23243466
_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  0.646804  0.271929  0.364644  1
  Al  Al2  1  0.593806  -0.054335  0.406594  1
  Al  Al3  1  0.615438  0.620107  0.388321  1
  Al  Al4  1  0.983626  0.273435  0.372020  1
  Al  Al5  1  0.928420  -0.051676  0.400204  1
  Al  Al6  1  0.955724  0.616532  0.372862  1
  Al  Al7  1  0.140549  0.187752  0.400063  1
  Al  Al8  1  0.093884  0.867657  0.377825  1
  Al  Al9  1  0.098653  0.522847  0.369627  1
  Al  Al10  1  0.799511  0.187694  0.390933  1
  Al  Al11  1  0.758246  0.878489  0.368850  1
  Al  Al12  1  0.734277  0.546538  0.353085  1
  Al  Al13  1  0.467738  0.185160  0.380666  1
  Al  Al14  1  0.427357  0.876942  0.372477  1
  Al  Al15  1  0.388103  0.568192  0.356207  1
  Al  Al16  1  0.314800  0.277433  0.380557  1
  Al  Al17  1  0.255312  -0.060636  0.413873  1
  Al  Al18  1  0.256643  0.608941  0.404415  1
  Al  Al19  1  0.583243  0.269225  0.421164  1
  Al  Al20  1  0.585383  -0.077228  0.463918  1
  Al  Al21  1  0.565998  0.596820  0.443468  1
  Al  Al22  1  0.923267  0.271465  0.428359  1
  Al  Al23  1  0.925533  -0.071764  0.459353  1
  Al  Al24  1  0.921332  0.605769  0.429484  1
  Al  Al25  1  0.122887  0.171739  0.460497  1
  Al  Al26  1  0.098429  0.841107  0.435570  1
  Al  Al27  1  0.146315  0.509150  0.426162  1
  Al  Al28  1  0.778869  0.174628  0.448645  1
  Al  Al29  1  0.768568  0.849232  0.424090  1
  Al  Al30  1  0.818026  0.510501  0.403450  1
  Al  Al31  1  0.438084  0.169676  0.438348  1
  Al  Al32  1  0.431058  0.843861  0.426665  1
  Al  Al33  1  0.474269  0.514172  0.402716  1
  Al  Al34  1  0.259470  0.267594  0.440281  1
  Al  Al35  1  0.248073  -0.081260  0.475533  1
  Al  Al36  1  0.212264  0.593456  0.463978  1
  Al  Al37  1  0.568176  0.241241  0.481373  1
  Al  Al38  1  0.589058  0.894797  0.528428  1
  Al  Al39  1  0.594756  0.565684  0.505194  1
  Al  Al40  1  0.922499  0.248279  0.487246  1
  Al  Al41  1  0.924680  0.895828  0.529136  1
  Al  Al42  1  0.930362  0.569683  0.515278  1
  Al  Al43  1  0.090988  0.152627  0.521106  1
  Al  Al44  1  0.113531  0.824523  0.498671  1
  Al  Al45  1  0.120500  0.494620  0.485771  1
  Al  Al46  1  0.759348  0.165914  0.514574  1
  Al  Al47  1  0.780111  0.833567  0.485415  1
  Al  Al48  1  0.811462  0.519634  0.462031  1
  Al  Al49  1  0.426028  0.155563  0.515554  1
  Al  Al50  1  0.441357  0.828418  0.487022  1
  Al  Al51  1  0.442614  0.502792  0.463416  1
  Al  Al52  1  0.251227  0.245417  0.502409  1
  Al  Al53  1  0.258042  0.899120  0.538020  1
  Al  Al54  1  0.272098  0.571497  0.524002  1
  Al  Al55  1  0.587216  0.214923  0.560150  1
  Al  Al56  1  0.575733  0.873560  0.611756  1
  Al  Al57  1  0.595879  0.558488  0.579365  1
  Al  Al58  1  0.920909  0.211395  0.564698  1
  Al  Al59  1  0.917938  0.881922  0.609607  1
  Al  Al60  1  0.932175  0.553891  0.579860  1
  Al  Al61  1  0.081424  0.128431  0.592787  1
  Al  Al62  1  0.086067  0.811170  0.562252  1
  Al  Al63  1  0.100598  0.478538  0.544390  1
  Al  Al64  1  0.740969  0.132204  0.596675  1
  Al  Al65  1  0.753637  0.821517  0.568671  1
  Al  Al66  1  0.755588  0.486554  0.544418  1
  Al  Al67  1  0.411656  0.132637  0.584970  1
  Al  Al68  1  0.423965  0.812407  0.563527  1
  Al  Al69  1  0.431332  0.476885  0.530031  1
  Al  Al70  1  0.253250  0.219889  0.561905  1
  Al  Al71  1  0.248593  0.884412  0.598330  1
  Al  Al72  1  0.266420  0.551983  0.584840  1
  Al  Al73  1  0.594761  0.200962  0.640041  1
  Al  Al74  1  0.569692  0.862822  0.676277  1
  Al  Al75  1  0.599137  0.536515  0.639702  1
  Al  Al76  1  0.928752  0.201401  0.632465  1
  Al  Al77  1  0.908650  0.863676  0.668277  1
  Al  Al78  1  0.944024  0.535444  0.640601  1
  Al  Al79  1  0.098865  0.109942  0.653436  1
  Al  Al80  1  0.111816  0.787760  0.622110  1
  Al  Al81  1  0.111336  0.461047  0.604551  1
  Al  Al82  1  0.760891  0.103238  0.661087  1
  Al  Al83  1  0.772362  0.785377  0.630846  1
  Al  Al84  1  0.771358  0.451121  0.615599  1
  Al  Al85  1  0.434413  0.105214  0.645344  1
  Al  Al86  1  0.435490  0.783077  0.638963  1
  Al  Al87  1  0.454151  0.462839  0.595340  1
  Al  Al88  1  0.265990  0.205217  0.627075  1
  Al  Al89  1  0.245331  0.869988  0.658651  1
  Al  Al90  1  0.271798  0.531766  0.658522  1
  Al  Al91  1  0.595297  0.185427  0.698314  1
  Al  Al92  1  0.615909  0.823241  0.727888  1
  Al  Al93  1  0.573067  0.516866  0.696102  1
  Al  Al94  1  0.926393  0.189943  0.691589  1
  Al  Al95  1  0.948794  0.830213  0.721641  1
  Al  Al96  1  0.988577  0.510820  0.697707  1
  Al  Al97  1  0.097351  0.104072  0.711413  1
  Al  Al98  1  0.111060  0.767457  0.681771  1
  Al  Al99  1  0.096180  0.433192  0.660015  1
  Al  Al100  1  0.766946  0.102255  0.717743  1
  Al  Al101  1  0.769970  0.762307  0.687743  1
  Al  Al102  1  0.770528  0.441274  0.677005  1
  Al  Al103  1  0.429447  0.094077  0.704166  1
  Al  Al104  1  0.437385  0.755235  0.696110  1
  Al  Al105  1  0.458122  0.436232  0.653930  1
  Al  Al106  1  0.267368  0.187158  0.686867  1
  Al  Al107  1  0.283453  0.840833  0.715374  1
  Al  Al108  1  0.288872  0.461435  0.703530  1
  H  H109  1  0.172975  0.336664  0.349789  1
  H  H110  1  0.887782  -0.012270  0.353988  1
  H  H111  1  0.893255  0.661082  0.330987  1
  H  H112  1  0.846221  0.255032  0.327666  1
  H  H113  1  0.935443  0.812915  0.347836  1
  H  H114  1  0.704795  0.494932  0.313062  1
  H  H115  1  0.793619  0.346757  0.381168  1
  H  H116  1  0.959185  -0.065103  0.350030  1
  H  H117  1  0.818095  0.621369  0.326827  1
  H  H118  1  0.583575  0.096723  0.293687  1
  H  H119  1  0.575350  0.681123  0.349346  1
  H  H120  1  0.578034  0.309190  0.320368  1
  H  H121  1  0.183338  0.287492  0.334958  1
  H  H122  1  0.111731  0.080053  0.302653  1
  H  H123  1  0.108509  0.695373  0.363310  1
  H  H124  1  0.141531  0.354268  0.374270  1
  H  H125  1  0.242259  -0.054891  0.362323  1
  H  H126  1  0.142425  0.596976  0.336683  1
  H  H127  1  0.171365  0.235233  0.339896  1
  H  H128  1  0.082232  0.783139  0.394189  1
  H  H129  1  0.113810  0.477650  0.326250  1
  H  H130  1  0.307039  0.141983  0.344804  1
  H  H131  1  0.244056  0.886407  0.336127  1
  H  H132  1  0.196183  0.456710  0.340150  1
  H  H133  1  0.481188  0.348295  0.367459  1
  H  H134  1  0.578580  -0.046249  0.356463  1
  H  H135  1  0.584598  0.613789  0.331848  1
  H  H136  1  0.505710  0.333610  0.334676  1
  H  H137  1  0.527974  0.061098  0.301317  1
  H  H138  1  0.362308  0.657118  0.365104  1
  H  H139  1  0.828981  0.347850  0.350011  1
  H  H140  1  0.646604  0.074330  0.309640  1
  H  H141  1  0.667701  0.700435  0.364000  1
  H  H142  1  0.428831  0.232177  0.340414  1
  H  H143  1  0.466522  0.812774  0.336964  1
  H  H144  1  0.371157  0.534691  0.311385  1
  H  H145  1  0.713283  0.258612  0.318253  1
  H  H146  1  0.594259  0.811349  0.346693  1
  H  H147  1  0.697067  0.533063  0.305009  1
  H  H148  1  0.825686  0.156148  0.344439  1
  H  H149  1  0.704768  0.892829  0.321844  1
  H  H150  1  0.864282  0.464941  0.358629  1
  H  H151  1  0.423617  0.122031  0.345468  1
  H  H152  1  0.261202  0.835893  0.340865  1
  H  H153  1  0.319348  0.572947  0.308715  1
  H  H154  1  0.680307  0.168902  0.344696  1
  H  H155  1  0.580856  -0.093472  0.329433  1
  H  H156  1  0.623409  0.448523  0.375883  1
  H  H157  1  1.029231  0.093713  0.299083  1
  H  H158  1  1.019717  0.692977  0.345733  1
  H  H159  1  0.913247  0.330291  0.333769  1
  H  H160  1  1.009981  0.187677  0.354091  1
  H  H161  1  0.939340  0.850109  0.333873  1
  H  H162  1  0.988527  0.541322  0.327555  1
  H  H163  1  0.090247  0.342563  0.447280  1
  H  H164  1  0.102021  0.020617  0.405605  1
  H  H165  1  1.066445  0.678141  0.403090  1
  H  H166  1  0.961471  0.109660  0.387973  1
  H  H167  1  0.885622  0.776424  0.446067  1
  H  H168  1  0.924880  0.445730  0.433458  1
  H  H169  1  0.946580  0.332701  0.465112  1
  H  H170  1  0.981284  0.008285  0.435039  1
  H  H171  1  0.805010  0.688180  0.387362  1
  H  H172  1  0.498591  -0.003079  0.367324  1
  H  H173  1  0.544552  0.683551  0.421491  1
  H  H174  1  0.464395  0.349833  0.398359  1
  H  H175  1  0.123674  0.329438  0.406601  1
  H  H176  1  0.149048  0.002615  0.381641  1
  H  H177  1  1.041498  0.670081  0.458724  1
  H  H178  1  0.267127  0.326360  0.477449  1
  H  H179  1  0.274220  -0.001035  0.450726  1
  H  H180  1  0.221400  0.675610  0.439142  1
  H  H181  1  0.076320  0.109485  0.374035  1
  H  H182  1  0.098751  0.763425  0.461565  1
  H  H183  1  0.225056  0.424081  0.414513  1
  H  H184  1  0.207408  0.108621  0.425377  1
  H  H185  1  0.258785  0.773143  0.413494  1
  H  H186  1  0.234911  0.434918  0.451460  1
  H  H187  1  0.618539  0.341183  0.451115  1
  H  H188  1  0.457536  0.023808  0.418130  1
  H  H189  1  0.412972  0.685878  0.397882  1
  H  H190  1  0.410173  0.343021  0.429133  1
  H  H191  1  0.422028  0.015932  0.392169  1
  H  H192  1  0.388717  0.665859  0.455101  1
  H  H193  1  0.745556  0.347442  0.429021  1
  H  H194  1  0.761795  0.020279  0.395230  1
  H  H195  1  0.721004  0.679172  0.438869  1
  H  H196  1  0.333705  0.114718  0.399347  1
  H  H197  1  0.409893  0.764922  0.448010  1
  H  H198  1  0.294222  0.444124  0.392267  1
  H  H199  1  0.636996  0.112609  0.383450  1
  H  H200  1  0.615257  0.782951  0.451046  1
  H  H201  1  0.647835  0.434895  0.403393  1
  H  H202  1  0.786071  0.090336  0.434710  1
  H  H203  1  0.752245  0.792110  0.385014  1
  H  H204  1  0.752302  0.432273  0.457897  1
  H  H205  1  0.297036  0.093123  0.453867  1
  H  H206  1  0.393298  0.789925  0.387046  1
  H  H207  1  0.504820  0.484803  0.354198  1
  H  H208  1  0.651660  0.113751  0.415261  1
  H  H209  1  0.596592  0.780849  0.401660  1
  H  H210  1  0.543099  0.440411  0.430753  1
  H  H211  1  0.829328  0.019596  0.370445  1
  H  H212  1  0.876809  0.690202  0.444364  1
  H  H213  1  0.871878  0.356671  0.408368  1
  H  H214  1  0.966267  0.106563  0.435685  1
  H  H215  1  0.929910  0.773631  0.412180  1
  H  H216  1  0.967685  0.443205  0.380370  1
  H  H217  1  0.933314  0.324470  0.565631  1
  H  H218  1  1.054513  -0.005009  0.518285  1
  H  H219  1  0.086562  0.662067  0.490357  1
  H  H220  1  0.920421  0.115733  0.481881  1
  H  H221  1  0.887885  0.798180  0.526888  1
  H  H222  1  0.923626  0.438811  0.508275  1
  H  H223  1  0.785314  0.259314  0.529876  1
  H  H224  1  0.766423  -0.045140  0.499901  1
  H  H225  1  0.803115  0.609977  0.475471  1
  H  H226  1  0.639334  0.004648  0.443020  1
  H  H227  1  0.621320  0.657538  0.511580  1
  H  H228  1  0.620165  0.332171  0.480326  1
  H  H229  1  1.060047  0.313088  0.515672  1
  H  H230  1  1.067106  -0.008275  0.486802  1
  H  H231  1  0.083324  0.630649  0.543228  1
  H  H232  1  0.201870  0.302516  0.538257  1
  H  H233  1  0.234992  -0.021382  0.514743  1
  H  H234  1  0.256814  0.654789  0.501488  1
  H  H235  1  0.160219  0.090274  0.481642  1
  H  H236  1  0.130465  0.745299  0.526098  1
  H  H237  1  0.160162  0.407972  0.497429  1
  H  H238  1  0.250521  0.079457  0.506300  1
  H  H239  1  0.268458  0.753388  0.476728  1
  H  H240  1  0.233710  0.404719  0.520977  1
  H  H241  1  0.494284  0.280854  0.525708  1
  H  H242  1  0.460987  -0.033333  0.501572  1
  H  H243  1  0.567208  0.650729  0.482073  1
  H  H244  1  0.410923  0.320965  0.493243  1
  H  H245  1  0.407330  -0.002906  0.471229  1
  H  H246  1  0.430027  0.647383  0.514271  1
  H  H247  1  0.732793  0.311733  0.501423  1
  H  H248  1  0.743384  0.001388  0.470362  1
  H  H249  1  0.799133  0.654411  0.520601  1
  H  H250  1  0.473263  0.089361  0.458430  1
  H  H251  1  0.325570  0.771128  0.521393  1
  H  H252  1  0.479240  0.424213  0.488086  1
  H  H253  1  0.594255  0.123772  0.476695  1
  H  H254  1  0.616821  0.801728  0.525485  1
  H  H255  1  0.653676  0.474845  0.496611  1
  H  H256  1  0.741865  0.065593  0.514643  1
  H  H257  1  0.778064  0.739391  0.490567  1
  H  H258  1  0.730734  0.403091  0.522610  1
  H  H259  1  0.432311  0.064387  0.512919  1
  H  H260  1  0.433013  0.740648  0.494355  1
  H  H261  1  0.415264  0.413733  0.463196  1
  H  H262  1  0.589792  0.062505  0.507367  1
  H  H263  1  0.610343  0.752054  0.492195  1
  H  H264  1  0.574270  0.392601  0.524648  1
  H  H265  1  0.942644  0.016889  0.465897  1
  H  H266  1  0.952020  0.661348  0.515325  1
  H  H267  1  0.941224  0.334194  0.498143  1
  H  H268  1  0.896729  0.081578  0.512128  1
  H  H269  1  0.933488  0.752371  0.489073  1
  H  H270  1  0.915407  0.432078  0.468744  1
  H  H271  1  0.078868  0.278250  0.619456  1
  H  H272  1  1.052041  -0.040653  0.594332  1
  H  H273  1  0.931456  0.648089  0.572072  1
  H  H274  1  0.892167  0.119925  0.553467  1
  H  H275  1  0.910453  0.749138  0.590475  1
  H  H276  1  0.910976  0.424585  0.572292  1
  H  H277  1  0.823473  0.263987  0.602134  1
  H  H278  1  0.771626  -0.083501  0.569491  1
  H  H279  1  0.773663  0.614138  0.553271  1
  H  H280  1  0.583009  -0.015218  0.541929  1
  H  H281  1  0.511189  0.652225  0.593946  1
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  H  H432  1  1.008790  0.417190  0.708717  1
