# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35682343
_cell_length_b   23.47277513
_cell_length_c   51.19880943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.66996054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al126 H378'
_cell_volume   10014.3817139
_cell_formula_units_Z   126
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  0.636609  0.160001  0.318397  1
  Al  Al2  1  0.809947  0.506096  0.297266  1
  Al  Al3  1  0.755056  0.810450  0.305601  1
  Al  Al4  1  0.651310  1.046847  0.315437  1
  Al  Al5  1  0.620052  0.386720  0.331368  1
  Al  Al6  1  0.928296  0.712114  0.302300  1
  Al  Al7  1  0.866965  0.327476  0.309373  1
  Al  Al8  1  0.924057  0.651644  0.349258  1
  Al  Al9  1  0.932726  0.993566  0.304238  1
  Al  Al10  1  0.911145  0.103919  0.304632  1
  Al  Al11  1  0.910632  0.427507  0.330344  1
  Al  Al12  1  0.924465  0.763556  0.347351  1
  Al  Al13  1  0.893437  0.216026  0.310176  1
  Al  Al14  1  0.929396  0.541658  0.340489  1
  Al  Al15  1  -0.030022  0.883251  0.301293  1
  Al  Al16  1  0.616718  0.272010  0.326550  1
  Al  Al17  1  0.790354  0.616212  0.304197  1
  Al  Al18  1  0.687191  0.928428  0.312572  1
  Al  Al19  1  0.553801  0.149527  0.369673  1
  Al  Al20  1  0.618996  0.498896  0.338872  1
  Al  Al21  1  0.600960  0.812987  0.353445  1
  Al  Al22  1  0.557437  1.038063  0.365929  1
  Al  Al23  1  0.519462  0.367631  0.381814  1
  Al  Al24  1  0.650278  0.711758  0.330133  1
  Al  Al25  1  0.836972  0.317075  0.362434  1
  Al  Al26  1  0.762235  0.642841  0.396435  1
  Al  Al27  1  0.858704  0.985388  0.354780  1
  Al  Al28  1  0.852362  0.096402  0.355847  1
  Al  Al29  1  0.793247  0.422567  0.379279  1
  Al  Al30  1  0.754250  0.753123  0.392575  1
  Al  Al31  1  0.844186  0.206478  0.361483  1
  Al  Al32  1  0.775750  0.533216  0.386708  1
  Al  Al33  1  0.882869  0.874137  0.351649  1
  Al  Al34  1  0.549895  0.258719  0.378160  1
  Al  Al35  1  0.614727  0.610223  0.350149  1
  Al  Al36  1  0.570096  0.925818  0.362065  1
  Al  Al37  1  0.401995  0.134004  0.436321  1
  Al  Al38  1  0.490985  0.479372  0.389130  1
  Al  Al39  1  0.475382  0.808693  0.413468  1
  Al  Al40  1  0.433714  1.025390  0.428876  1
  Al  Al41  1  0.351198  0.349904  0.450560  1
  Al  Al42  1  0.480312  0.701016  0.403157  1
  Al  Al43  1  0.624602  0.302525  0.425608  1
  Al  Al44  1  0.545498  0.630127  0.447643  1
  Al  Al45  1  0.720313  0.975202  0.406088  1
  Al  Al46  1  0.680886  0.085440  0.411320  1
  Al  Al47  1  0.592323  0.411581  0.431184  1
  Al  Al48  1  0.526469  0.738318  0.455258  1
  Al  Al49  1  0.654708  0.193701  0.418922  1
  Al  Al50  1  0.575139  0.521077  0.438675  1
  Al  Al51  1  0.744026  0.863490  0.401356  1
  Al  Al52  1  0.377106  0.241862  0.444381  1
  Al  Al53  1  0.472116  0.590433  0.398633  1
  Al  Al54  1  0.463055  0.917293  0.420925  1
  Al  Al55  1  0.192797  0.113876  0.500991  1
  Al  Al56  1  0.325878  0.460063  0.457944  1
  Al  Al57  1  0.264282  0.787911  0.480396  1
  Al  Al58  1  0.213406  1.004723  0.494935  1
  Al  Al59  1  0.125315  0.330209  0.512396  1
  Al  Al60  1  0.277126  0.678448  0.472802  1
  Al  Al61  1  0.413148  0.282213  0.494246  1
  Al  Al62  1  0.325993  0.611007  0.515066  1
  Al  Al63  1  0.491034  0.956353  0.471304  1
  Al  Al64  1  0.460616  1.064645  0.478842  1
  Al  Al65  1  0.380094  0.391263  0.500009  1
  Al  Al66  1  0.285050  0.719569  0.522946  1
  Al  Al67  1  0.440354  0.174139  0.486567  1
  Al  Al68  1  0.354305  0.501250  0.507979  1
  Al  Al69  1  0.513027  0.846902  0.464373  1
  Al  Al70  1  0.156708  0.222601  0.506974  1
  Al  Al71  1  0.302354  0.569112  0.465510  1
  Al  Al72  1  0.256594  0.896117  0.488995  1
  Al  Al73  1  -0.056380  0.095805  0.571796  1
  Al  Al74  1  0.098732  0.441175  0.518858  1
  Al  Al75  1  0.011942  0.765018  0.550594  1
  Al  Al76  1  -0.041362  0.984474  0.564839  1
  Al  Al77  1  0.925299  0.317313  0.577919  1
  Al  Al78  1  0.041244  0.657000  0.539377  1
  Al  Al79  1  0.198087  0.263692  0.557014  1
  Al  Al80  1  0.130577  0.586324  0.581296  1
  Al  Al81  1  0.226958  0.937147  0.538591  1
  Al  Al82  1  0.206216  1.045759  0.545968  1
  Al  Al83  1  0.161154  0.373187  0.561071  1
  Al  Al84  1  0.135524  0.695257  0.588366  1
  Al  Al85  1  0.196706  0.155302  0.550667  1
  Al  Al86  1  0.152167  0.480169  0.567570  1
  Al  Al87  1  0.262350  0.827501  0.531733  1
  Al  Al88  1  0.935685  0.206779  0.575731  1
  Al  Al89  1  0.073243  0.551352  0.527226  1
  Al  Al90  1  -0.005520  0.874259  0.558071  1
  Al  Al91  1  0.786945  0.084981  0.623253  1
  Al  Al92  1  0.825884  0.419326  0.596712  1
  Al  Al93  1  0.822241  0.749473  0.604647  1
  Al  Al94  1  0.812324  0.972406  0.617013  1
  Al  Al95  1  0.741901  0.309058  0.619880  1
  Al  Al96  1  0.842063  0.638157  0.594428  1
  Al  Al97  1  0.050117  0.254403  0.622121  1
  Al  Al98  1  -0.008214  0.565300  0.647564  1
  Al  Al99  1  0.116038  0.917602  0.603633  1
  Al  Al100  1  0.096023  1.029753  0.610021  1
  Al  Al101  1  0.030868  0.366109  0.630951  1
  Al  Al102  1  0.024014  0.674611  0.636985  1
  Al  Al103  1  0.065653  0.142385  0.617044  1
  Al  Al104  1  0.069968  0.474160  0.619780  1
  Al  Al105  1  0.114957  0.805035  0.598555  1
  Al  Al106  1  0.760308  0.196797  0.630753  1
  Al  Al107  1  0.863815  0.528509  0.583586  1
  Al  Al108  1  0.820420  0.862102  0.608030  1
  Al  Al109  1  0.718104  1.065544  0.673343  1
  Al  Al110  1  0.683647  0.402884  0.647722  1
  Al  Al111  1  0.743812  0.736641  0.655934  1
  Al  Al112  1  0.731933  0.956316  0.667506  1
  Al  Al113  1  0.664352  0.281409  0.667574  1
  Al  Al114  1  0.695654  0.628878  0.639897  1
  Al  Al115  1  -0.040098  0.234226  0.671571  1
  Al  Al116  1  0.730026  0.550985  0.677264  1
  Al  Al117  1  0.010363  0.898833  0.653125  1
  Al  Al118  1  -0.002076  1.010899  0.660156  1
  Al  Al119  1  0.898540  0.345057  0.676353  1
  Al  Al120  1  0.868836  0.648214  0.681039  1
  Al  Al121  1  -0.016282  0.121935  0.667252  1
  Al  Al122  1  0.916129  0.455968  0.668856  1
  Al  Al123  1  0.017611  0.785510  0.648819  1
  Al  Al124  1  0.708230  0.174382  0.681379  1
  Al  Al125  1  0.726920  0.509017  0.629801  1
  Al  Al126  1  0.746040  0.846591  0.658805  1
  H  H127  1  0.580584  0.988017  0.284720  1
  H  H128  1  0.856511  0.330602  0.263725  1
  H  H129  1  0.888510  0.660744  0.267566  1
  H  H130  1  0.115751  1.048229  0.320933  1
  H  H131  1  -0.030534  0.468316  0.264843  1
  H  H132  1  0.158522  0.731964  0.280963  1
  H  H133  1  0.433115  0.111574  0.298974  1
  H  H134  1  0.866224  0.373332  0.269390  1
  H  H135  1  0.675602  0.729598  0.285336  1
  H  H136  1  0.569830  0.189070  0.276818  1
  H  H137  1  0.546756  0.526255  0.294905  1
  H  H138  1  0.805686  0.811053  0.260778  1
  H  H139  1  0.611249  0.338096  0.291678  1
  H  H140  1  0.600380  0.629814  0.273587  1
  H  H141  1  0.819390  0.942660  0.272366  1
  H  H142  1  0.851870  0.270892  0.275273  1
  H  H143  1  0.671013  0.594753  0.265583  1
  H  H144  1  0.434719  0.933376  0.320316  1
  H  H145  1  0.109162  0.317195  0.289545  1
  H  H146  1  0.009432  0.634631  0.277885  1
  H  H147  1  0.172379  0.942770  0.308551  1
  H  H148  1  0.079359  0.270860  0.289731  1
  H  H149  1  0.322659  0.594018  0.261339  1
  H  H150  1  0.048227  0.939593  0.266605  1
  H  H151  1  0.875498  0.166668  0.274551  1
  H  H152  1  0.788452  0.482182  0.263118  1
  H  H153  1  0.581856  0.870981  0.285137  1
  H  H154  1  0.617754  0.230361  0.283075  1
  H  H155  1  0.502234  0.572677  0.312447  1
  H  H156  1  0.758563  0.877353  0.272307  1
  H  H157  1  0.686736  0.104601  0.279224  1
  H  H158  1  0.579582  0.455620  0.296933  1
  H  H159  1  0.872369  0.769360  0.265764  1
  H  H160  1  0.069085  0.219465  0.243178  1
  H  H161  1  -0.037718  0.565352  0.277041  1
  H  H162  1  0.210551  0.894204  0.303065  1
  H  H163  1  0.116139  0.182171  0.242528  1
  H  H164  1  0.012842  0.510181  0.265425  1
  H  H165  1  0.044552  0.794899  0.291712  1
  H  H166  1  0.087548  0.085297  0.271782  1
  H  H167  1  0.489477  0.480935  0.249038  1
  H  H168  1  0.334889  0.818229  0.268528  1
  H  H169  1  0.141174  0.203650  0.292126  1
  H  H170  1  0.384985  0.565525  0.251630  1
  H  H171  1  0.096438  0.895934  0.263661  1
  H  H172  1  0.133369  0.159994  0.299796  1
  H  H173  1  0.469254  0.520752  0.245061  1
  H  H174  1  0.251743  0.841638  0.260362  1
  H  H175  1  0.802230  1.049789  0.273773  1
  H  H176  1  0.611081  0.400075  0.286834  1
  H  H177  1  0.427960  0.697855  0.306679  1
  H  H178  1  0.107423  1.043822  0.280142  1
  H  H179  1  0.089054  0.378638  0.300403  1
  H  H180  1  0.163638  0.687982  0.281382  1
  H  H181  1  0.348056  0.991125  0.355990  1
  H  H182  1  0.422284  0.319515  0.299896  1
  H  H183  1  0.437776  0.657215  0.318084  1
  H  H184  1  0.910783  1.037806  0.392706  1
  H  H185  1  0.080135  0.360220  0.350046  1
  H  H186  1  0.104644  0.704672  0.368402  1
  H  H187  1  0.392107  0.090463  0.394259  1
  H  H188  1  0.407971  0.448803  0.320514  1
  H  H189  1  0.437559  0.737090  0.353896  1
  H  H190  1  0.333757  0.154112  0.343009  1
  H  H191  1  0.263476  0.484376  0.364314  1
  H  H192  1  0.410825  0.822284  0.321248  1
  H  H193  1  0.386984  0.315255  0.349260  1
  H  H194  1  0.379618  0.653976  0.366040  1
  H  H195  1  0.424389  1.003666  0.328644  1
  H  H196  1  0.380110  0.277139  0.303728  1
  H  H197  1  0.359939  0.587506  0.355264  1
  H  H198  1  0.331990  0.911083  0.381072  1
  H  H199  1  0.079832  0.304331  0.337588  1
  H  H200  1  0.033345  0.631913  0.389558  1
  H  H201  1  -0.007177  0.962065  0.391442  1
  H  H202  1  0.039450  0.259629  0.382524  1
  H  H203  1  0.119792  0.599735  0.322264  1
  H  H204  1  0.099408  0.932545  0.347684  1
  H  H205  1  0.408423  0.218377  0.317074  1
  H  H206  1  0.361193  0.492843  0.331863  1
  H  H207  1  0.364864  0.803766  0.371118  1
  H  H208  1  0.376016  0.216901  0.350548  1
  H  H209  1  0.287920  0.545619  0.375914  1
  H  H210  1  0.411642  0.877231  0.335317  1
  H  H211  1  0.369204  0.099662  0.345691  1
  H  H212  1  0.305045  0.423154  0.369996  1
  H  H213  1  0.496277  0.782916  0.309106  1
  H  H214  1  0.082424  0.235047  0.338341  1
  H  H215  1  0.120039  0.588843  0.361259  1
  H  H216  1  -0.010255  0.899208  0.391254  1
  H  H217  1  0.045729  0.150516  0.335049  1
  H  H218  1  0.098516  0.469531  0.352675  1
  H  H219  1  -0.017607  0.809487  0.383761  1
  H  H220  1  0.113507  0.088423  0.369500  1
  H  H221  1  0.139005  0.421193  0.307200  1
  H  H222  1  0.176710  0.758521  0.330305  1
  H  H223  1  0.103269  0.220218  0.370388  1
  H  H224  1  0.146480  0.549615  0.314189  1
  H  H225  1  0.149284  0.872141  0.351604  1
  H  H226  1  0.065048  0.142955  0.372371  1
  H  H227  1  0.080069  0.488599  0.310074  1
  H  H228  1  0.128934  0.820396  0.338949  1
  H  H229  1  0.416558  1.068409  0.293117  1
  H  H230  1  0.365228  0.384551  0.342537  1
  H  H231  1  0.231069  0.712962  0.384974  1
  H  H232  1  0.085605  1.038175  0.356709  1
  H  H233  1  0.040129  0.366569  0.380654  1
  H  H234  1  0.139334  0.701294  0.330689  1
  H  H235  1  0.220255  0.970780  0.422327  1
  H  H236  1  0.312919  0.312132  0.378641  1
  H  H237  1  0.259435  0.651979  0.406503  1
  H  H238  1  0.677992  1.041578  0.451794  1
  H  H239  1  0.826974  0.360971  0.414628  1
  H  H240  1  0.762696  0.706773  0.432362  1
  H  H241  1  0.215225  1.049497  0.455672  1
  H  H242  1  0.332966  0.398591  0.411348  1
  H  H243  1  0.281194  0.722313  0.433300  1
  H  H244  1  0.146530  0.140546  0.421977  1
  H  H245  1  0.065644  0.468000  0.445978  1
  H  H246  1  0.207481  0.828394  0.411828  1
  H  H247  1  0.227403  0.303433  0.416535  1
  H  H248  1  0.125708  0.632841  0.442914  1
  H  H249  1  0.325135  0.985781  0.391619  1
  H  H250  1  0.327582  0.234822  0.400333  1
  H  H251  1  0.246217  0.585462  0.422313  1
  H  H252  1  0.226019  0.913312  0.444658  1
  H  H253  1  0.884618  0.293081  0.405923  1
  H  H254  1  0.811103  0.631975  0.439941  1
  H  H255  1  0.734447  0.966471  0.451340  1
  H  H256  1  0.843912  0.245673  0.440807  1
  H  H257  1  -0.022595  0.580256  0.406551  1
  H  H258  1  0.899276  0.917278  0.431397  1
  H  H259  1  0.326793  0.161589  0.392963  1
  H  H260  1  0.281363  0.483966  0.415276  1
  H  H261  1  0.231145  0.808873  0.437420  1
  H  H262  1  0.185982  0.193034  0.423318  1
  H  H263  1  0.112327  0.520578  0.445615  1
  H  H264  1  0.263904  0.875861  0.399508  1
  H  H265  1  0.199101  0.081409  0.417945  1
  H  H266  1  0.131252  0.407572  0.438524  1
  H  H267  1  0.273742  0.768534  0.391631  1
  H  H268  1  0.905000  0.214051  0.405325  1
  H  H269  1  0.830065  0.548982  0.430446  1
  H  H270  1  0.714288  0.890244  0.444315  1
  H  H271  1  0.880902  0.142470  0.396433  1
  H  H272  1  0.805709  0.466186  0.420118  1
  H  H273  1  0.719889  0.801977  0.439390  1
  H  H274  1  0.910725  0.080476  0.436228  1
  H  H275  1  0.047541  0.413621  0.393798  1
  H  H276  1  -0.002265  0.752153  0.412892  1
  H  H277  1  0.891742  0.196173  0.441117  1
  H  H278  1  0.039420  0.525109  0.396240  1
  H  H279  1  -0.025880  0.875952  0.423598  1
  H  H280  1  0.849003  0.134308  0.438802  1
  H  H281  1  0.000632  0.470454  0.397860  1
  H  H282  1  0.916792  0.799331  0.422301  1
  H  H283  1  0.193581  1.025140  0.409191  1
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  H  H504  1  0.130312  0.621442  0.675353  1
