# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86842775
_cell_length_b   19.70728884
_cell_length_c   33.19359788
_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   'Al84 H252'
_cell_volume   7109.64527774
_cell_formula_units_Z   84
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  0.122661  0.300875  0.562314  1
  Al  Al2  1  0.027301  0.774152  0.568779  1
  Al  Al3  1  0.051867  0.088165  0.592568  1
  Al  Al4  1  0.087147  0.634696  0.552854  1
  Al  Al5  1  0.232146  0.528601  0.565908  1
  Al  Al6  1  0.241931  1.029267  0.559144  1
  Al  Al7  1  0.235147  0.174680  0.579820  1
  Al  Al8  1  0.218234  0.737224  0.530824  1
  Al  Al9  1  0.281308  0.398491  0.558736  1
  Al  Al10  1  0.193985  0.867520  0.545113  1
  Al  Al11  1  0.054195  0.434348  0.575365  1
  Al  Al12  1  0.048340  0.953496  0.575286  1
  Al  Al13  1  0.025586  0.217320  0.616167  1
  Al  Al14  1  0.053526  0.686731  0.626444  1
  Al  Al15  1  0.056375  0.986675  0.652056  1
  Al  Al16  1  0.011692  0.551961  0.609652  1
  Al  Al17  1  0.274105  0.436226  0.632461  1
  Al  Al18  1  0.291597  0.931021  0.612668  1
  Al  Al19  1  0.279038  0.065575  0.636084  1
  Al  Al20  1  0.312599  0.655641  0.584423  1
  Al  Al21  1  0.314245  0.297960  0.610443  1
  Al  Al22  1  0.306010  0.792098  0.599494  1
  Al  Al23  1  0.061924  0.345363  0.636444  1
  Al  Al24  1  0.083000  0.849206  0.631175  1
  Al  Al25  1  0.058460  0.118506  0.674489  1
  Al  Al26  1  0.021670  0.597218  0.688335  1
  Al  Al27  1  0.057127  0.889723  0.712573  1
  Al  Al28  1  0.047120  0.463872  0.670371  1
  Al  Al29  1  0.270215  0.329826  0.688770  1
  Al  Al30  1  0.296510  0.838662  0.679150  1
  Al  Al31  1  0.275152  0.970764  0.698072  1
  Al  Al32  1  0.245798  0.569495  0.645204  1
  Al  Al33  1  0.280608  0.195536  0.660526  1
  Al  Al34  1  0.293116  0.701244  0.660931  1
  Al  Al35  1  0.058232  0.248454  0.696920  1
  Al  Al36  1  0.076492  0.752490  0.695564  1
  Al  Al37  1  0.061697  1.022878  0.736828  1
  Al  Al38  1  0.053538  0.501266  0.749964  1
  Al  Al39  1  0.067180  0.795830  0.774340  1
  Al  Al40  1  0.049339  0.366898  0.731726  1
  Al  Al41  1  0.275736  0.232190  0.747709  1
  Al  Al42  1  0.296118  0.738526  0.741465  1
  Al  Al43  1  0.285321  0.873778  0.760720  1
  Al  Al44  1  0.282972  0.466510  0.710189  1
  Al  Al45  1  0.290048  0.100232  0.722767  1
  Al  Al46  1  0.259788  0.602429  0.724990  1
  Al  Al47  1  0.068533  0.153519  0.757806  1
  Al  Al48  1  0.057236  0.659548  0.759393  1
  Al  Al49  1  0.066767  0.931293  0.798204  1
  Al  Al50  1  0.065370  0.390530  0.809482  1
  Al  Al51  1  0.062494  0.697040  0.839442  1
  Al  Al52  1  0.010668  0.258870  0.799417  1
  Al  Al53  1  0.280240  0.139556  0.809302  1
  Al  Al54  1  0.291682  0.644877  0.805500  1
  Al  Al55  1  0.281169  0.778466  0.824789  1
  Al  Al56  1  0.287286  0.367059  0.769545  1
  Al  Al57  1  0.291042  1.004585  0.785638  1
  Al  Al58  1  0.283050  0.507063  0.788197  1
  Al  Al59  1  0.072269  0.063843  0.821784  1
  Al  Al60  1  0.066476  0.561960  0.821213  1
  Al  Al61  1  0.049318  0.830035  0.853755  1
  Al  Al62  1  0.003899  0.313047  0.874527  1
  Al  Al63  1  0.033204  0.603927  0.897391  1
  Al  Al64  1  0.018564  0.173293  0.863496  1
  Al  Al65  1  0.306420  0.040917  0.865755  1
  Al  Al66  1  0.286089  0.547907  0.868083  1
  Al  Al67  1  0.311387  0.684350  0.884023  1
  Al  Al68  1  0.237275  0.271698  0.830447  1
  Al  Al69  1  0.277672  0.909164  0.846966  1
  Al  Al70  1  0.291489  0.409056  0.849505  1
  Al  Al71  1  0.027812  0.967081  0.877569  1
  Al  Al72  1  0.058297  0.459989  0.875950  1
  Al  Al73  1  0.107330  0.729055  0.919882  1
  Al  Al74  1  0.100112  0.233858  0.929202  1
  Al  Al75  1  0.074873  0.505995  0.949277  1
  Al  Al76  1  0.117053  0.081437  0.911663  1
  Al  Al77  1  0.224740  0.958237  0.922489  1
  Al  Al78  1  0.283380  0.452718  0.926296  1
  Al  Al79  1  0.235268  0.601990  0.940372  1
  Al  Al80  1  0.276574  0.174480  0.888675  1
  Al  Al81  1  0.281732  0.818603  0.906128  1
  Al  Al82  1  0.279832  0.313475  0.905962  1
  Al  Al83  1  0.063202  0.861627  0.928087  1
  Al  Al84  1  0.089305  0.373836  0.939225  1
  H  H85  1  -0.017149  0.040955  0.530960  1
  H  H86  1  -0.159658  0.578081  0.503021  1
  H  H87  1  0.221912  0.175862  0.511756  1
  H  H88  1  0.384295  0.674325  0.520111  1
  H  H89  1  -0.061320  0.090544  0.535672  1
  H  H90  1  0.072065  0.684570  0.493732  1
  H  H91  1  -0.172805  0.359911  0.527957  1
  H  H92  1  -0.048433  0.917615  0.520979  1
  H  H93  1  0.756276  0.585210  0.486856  1
  H  H94  1  0.694270  0.057848  0.500919  1
  H  H95  1  0.053555  0.522231  0.528260  1
  H  H96  1  -0.094702  0.887501  0.604056  1
  H  H97  1  0.213375  0.587406  0.507155  1
  H  H98  1  0.351999  0.050135  0.503026  1
  H  H99  1  0.548834  0.487104  0.484173  1
  H  H100  1  0.279639  1.021474  0.491282  1
  H  H101  1  0.124500  0.387832  0.516044  1
  H  H102  1  0.066549  0.806022  0.504933  1
  H  H103  1  -0.091765  0.395292  0.526784  1
  H  H104  1  0.046461  0.925864  0.506869  1
  H  H105  1  -0.093126  0.331020  0.520581  1
  H  H106  1  -0.035654  0.699016  0.517061  1
  H  H107  1  0.301367  0.307765  0.522230  1
  H  H108  1  0.274293  0.950798  0.511316  1
  H  H109  1  0.247728  0.240206  0.519599  1
  H  H110  1  0.286712  0.818090  0.496429  1
  H  H111  1  0.426828  0.225733  0.570273  1
  H  H112  1  0.521320  0.815295  0.497849  1
  H  H113  1  0.618963  0.452154  0.491617  1
  H  H114  1  0.599047  0.912886  0.514838  1
  H  H115  1  0.540710  0.435456  0.475481  1
  H  H116  1  0.549943  0.862287  0.499037  1
  H  H117  1  0.697137  0.072982  0.531327  1
  H  H118  1  0.767065  0.610256  0.514588  1
  H  H119  1  0.164246  0.119806  0.522810  1
  H  H120  1  0.354415  0.597526  0.525028  1
  H  H121  1  0.731901  1.024729  0.522728  1
  H  H122  1  -0.133020  0.500691  0.568198  1
  H  H123  1  0.376497  0.108257  0.555037  1
  H  H124  1  0.426322  0.564508  0.567111  1
  H  H125  1  -0.100756  1.013954  0.603010  1
  H  H126  1  -0.101511  0.634799  0.580063  1
  H  H127  1  -0.177167  0.213052  0.593755  1
  H  H128  1  -0.152511  0.765661  0.535153  1
  H  H129  1  0.757143  0.483962  0.560504  1
  H  H130  1  0.661701  0.952250  0.587539  1
  H  H131  1  -0.104044  0.384206  0.603790  1
  H  H132  1  -0.078387  0.824027  0.673521  1
  H  H133  1  0.309888  0.470031  0.515289  1
  H  H134  1  0.453945  0.853538  0.632148  1
  H  H135  1  0.483814  0.395736  0.547853  1
  H  H136  1  0.524897  0.933258  0.503128  1
  H  H137  1  0.016164  0.212237  0.546226  1
  H  H138  1  -0.129879  0.750195  0.612283  1
  H  H139  1  -0.150674  0.263732  0.585764  1
  H  H140  1  -0.154424  0.814559  0.546472  1
  H  H141  1  -0.122323  0.144498  0.596766  1
  H  H142  1  -0.126113  0.621181  0.639401  1
  H  H143  1  0.477562  0.254943  0.646021  1
  H  H144  1  0.394430  0.872401  0.559020  1
  H  H145  1  0.445964  0.137387  0.628319  1
  H  H146  1  0.411821  0.741420  0.546315  1
  H  H147  1  0.561214  0.124548  0.594896  1
  H  H148  1  0.586820  0.659550  0.564559  1
  H  H149  1  0.512761  0.348497  0.560048  1
  H  H150  1  0.600399  0.790225  0.572325  1
  H  H151  1  0.480245  0.277415  0.570008  1
  H  H152  1  0.609750  0.705578  0.558738  1
  H  H153  1  0.670304  1.002565  0.598874  1
  H  H154  1  0.755407  0.526798  0.577357  1
  H  H155  1  0.427968  0.985338  0.568827  1
  H  H156  1  0.415593  0.479777  0.586241  1
  H  H157  1  0.687098  0.960259  0.618117  1
  H  H158  1  0.670123  0.431838  0.672551  1
  H  H159  1  0.443136  1.011929  0.605840  1
  H  H160  1  0.420275  0.507011  0.662929  1
  H  H161  1  -0.112085  0.931981  0.676697  1
  H  H162  1  -0.136092  0.493276  0.643580  1
  H  H163  1  0.781348  0.103782  0.660616  1
  H  H164  1  0.754073  0.723822  0.617453  1
  H  H165  1  0.680795  0.406465  0.644411  1
  H  H166  1  0.693656  0.846586  0.695563  1
  H  H167  1  -0.106971  0.282903  0.656884  1
  H  H168  1  -0.090706  0.742218  0.740787  1
  H  H169  1  0.448500  0.378072  0.631801  1
  H  H170  1  0.455773  0.763595  0.690763  1
  H  H171  1  0.596459  0.278184  0.637466  1
  H  H172  1  0.578628  0.824069  0.592278  1
  H  H173  1  -0.112147  0.191023  0.669518  1
  H  H174  1  -0.098541  0.693289  0.676998  1
  H  H175  1  0.772800  0.153665  0.668333  1
  H  H176  1  0.761147  0.769535  0.630615  1
  H  H177  1  -0.113768  0.056198  0.656480  1
  H  H178  1  -0.138727  0.511877  0.687882  1
  H  H179  1  0.433783  0.177872  0.704372  1
  H  H180  1  0.458014  0.719714  0.619524  1
  H  H181  1  0.438000  0.046120  0.681648  1
  H  H182  1  0.438920  0.620825  0.635761  1
  H  H183  1  0.568502  1.032595  0.673358  1
  H  H184  1  0.575035  0.612300  0.653262  1
  H  H185  1  0.590468  0.236968  0.655095  1
  H  H186  1  0.652464  0.691562  0.685875  1
  H  H187  1  0.574285  0.135782  0.623457  1
  H  H188  1  0.638405  0.638931  0.668694  1
  H  H189  1  0.659940  0.892121  0.682504  1
  H  H190  1  0.636982  0.455056  0.645661  1
  H  H191  1  0.441895  0.923110  0.661421  1
  H  H192  1  0.449626  0.395754  0.694539  1
  H  H193  1  0.685046  0.891213  0.713522  1
  H  H194  1  0.707899  0.313193  0.704402  1
  H  H195  1  0.443008  0.908536  0.715778  1
  H  H196  1  0.455957  0.410955  0.735172  1
  H  H197  1  -0.110200  0.826860  0.737663  1
  H  H198  1  -0.097217  0.379666  0.681394  1
  H  H199  1  0.786601  1.027791  0.725962  1
  H  H200  1  -0.179738  0.576205  0.706915  1
  H  H201  1  0.675549  0.274126  0.724019  1
  H  H202  1  0.693056  0.747971  0.777554  1
  H  H203  1  -0.099854  0.224771  0.743100  1
  H  H204  1  -0.107204  0.663300  0.800467  1
  H  H205  1  0.440659  0.281858  0.718438  1
  H  H206  1  0.458327  0.668943  0.761831  1
  H  H207  1  0.571285  0.147121  0.743625  1
  H  H208  1  0.595781  0.731476  0.684986  1
  H  H209  1  -0.098508  0.100641  0.728453  1
  H  H210  1  -0.101526  0.555977  0.779796  1
  H  H211  1  0.782279  0.073033  0.740058  1
  H  H212  1  -0.156550  0.629462  0.718938  1
  H  H213  1  -0.112113  0.965745  0.714849  1
  H  H214  1  -0.124119  0.434932  0.749184  1
  H  H215  1  0.443451  1.035354  0.746582  1
  H  H216  1  0.431539  0.658864  0.709178  1
  H  H217  1  0.455476  0.926601  0.787718  1
  H  H218  1  0.433854  0.536760  0.740542  1
  H  H219  1  0.585120  0.947387  0.776769  1
  H  H220  1  0.551857  0.549161  0.729337  1
  H  H221  1  0.601841  0.122421  0.719475  1
  H  H222  1  0.681073  0.619779  0.765494  1
  H  H223  1  0.588831  0.072283  0.691472  1
  H  H224  1  0.618122  0.575543  0.747207  1
  H  H225  1  0.677804  0.800148  0.771157  1
  H  H226  1  0.657382  0.325966  0.730930  1
  H  H227  1  0.454802  0.820560  0.727982  1
  H  H228  1  0.452653  0.291060  0.766291  1
  H  H229  1  0.662645  0.781337  0.800849  1
  H  H230  1  0.662729  0.259025  0.803474  1
  H  H231  1  0.439961  0.799000  0.777946  1
  H  H232  1  0.432136  0.309261  0.808285  1
  H  H233  1  -0.105839  0.785157  0.814242  1
  H  H234  1  -0.122320  0.311940  0.757950  1
  H  H235  1  0.771437  0.919511  0.825587  1
  H  H236  1  0.752686  0.442619  0.747386  1
  H  H237  1  0.710865  0.214956  0.791905  1
  H  H238  1  0.679046  0.674619  0.850817  1
  H  H239  1  -0.089211  0.143032  0.804424  1
  H  H240  1  -0.102385  0.533372  0.862986  1
  H  H241  1  0.437110  0.161549  0.767314  1
  H  H242  1  0.464469  0.611261  0.864297  1
  H  H243  1  0.568346  0.077008  0.811557  1
  H  H244  1  0.646423  0.584257  0.783515  1
  H  H245  1  -0.085382  1.010738  0.788745  1
  H  H246  1  -0.096281  0.457167  0.827974  1
  H  H247  1  0.785495  0.962777  0.841553  1
  H  H248  1  0.782022  0.484132  0.762494  1
  H  H249  1  -0.095049  0.881906  0.765173  1
  H  H250  1  -0.131092  0.341499  0.800669  1
  H  H251  1  0.445711  0.973133  0.834714  1
  H  H252  1  0.441764  0.560576  0.819392  1
  H  H253  1  0.450121  0.841304  0.845598  1
  H  H254  1  0.443089  0.433375  0.802796  1
  H  H255  1  0.573487  0.869301  0.863171  1
  H  H256  1  0.574953  0.418881  0.806669  1
  H  H257  1  0.625727  0.042030  0.798312  1
  H  H258  1  0.658844  0.500858  0.842292  1
  H  H259  1  0.634620  0.990134  0.781397  1
  H  H260  1  0.629587  0.453624  0.820052  1
  H  H261  1  0.669202  0.705435  0.871861  1
  H  H262  1  0.634031  0.209428  0.812112  1
  H  H263  1  0.493190  0.681200  0.799120  1
  H  H264  1  0.418787  0.210495  0.844253  1
  H  H265  1  -0.106070  0.622500  0.845377  1
  H  H266  1  0.716056  0.140731  0.879221  1
  H  H267  1  0.455368  0.712967  0.835408  1
  H  H268  1  0.409474  0.231715  0.924882  1
  H  H269  1  -0.080208  0.704537  0.896590  1
  H  H270  1  -0.140011  0.241956  0.848260  1
  H  H271  1  -0.139616  0.839828  0.909622  1
  H  H272  1  0.731222  0.394540  0.881378  1
  H  H273  1  0.622949  0.157925  0.885662  1
  H  H274  1  0.778737  0.554480  0.932181  1
  H  H275  1  -0.087218  0.067325  0.866739  1
  H  H276  1  -0.087320  0.444395  0.924300  1
  H  H277  1  0.462935  0.098194  0.834991  1
  H  H278  1  0.443521  0.519832  0.912533  1
  H  H279  1  0.565229  1.005412  0.896834  1
  H  H280  1  0.656267  0.535839  0.862616  1
  H  H281  1  -0.113047  0.904739  0.841507  1
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