# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72245251
_cell_length_b   24.19107596
_cell_length_c   46.69032242
_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   8722.42621956
_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  0.600396  0.813368  0.329808  1
  Al  Al2  1  0.605154  0.467822  0.339650  1
  Al  Al3  1  0.601518  0.150947  0.370594  1
  Al  Al4  1  0.937266  0.817971  0.335242  1
  Al  Al5  1  0.936612  0.475451  0.349097  1
  Al  Al6  1  0.934129  0.152152  0.372966  1
  Al  Al7  1  0.106519  0.718827  0.351266  1
  Al  Al8  1  0.106241  0.383484  0.368261  1
  Al  Al9  1  0.102429  0.101430  0.331165  1
  Al  Al10  1  0.777933  0.724075  0.343855  1
  Al  Al11  1  0.772533  0.383783  0.365352  1
  Al  Al12  1  0.770104  0.094877  0.330479  1
  Al  Al13  1  0.443486  0.720476  0.349746  1
  Al  Al14  1  0.438614  0.382849  0.364921  1
  Al  Al15  1  0.432835  0.082441  0.335369  1
  Al  Al16  1  0.267450  0.809663  0.331849  1
  Al  Al17  1  0.272694  0.474622  0.350278  1
  Al  Al18  1  0.271237  0.148983  0.374413  1
  Al  Al19  1  0.619982  0.796760  0.386796  1
  Al  Al20  1  0.601374  0.466426  0.397919  1
  Al  Al21  1  0.594812  0.116533  0.427050  1
  Al  Al22  1  0.953166  0.797425  0.391059  1
  Al  Al23  1  0.933874  0.463022  0.406453  1
  Al  Al24  1  0.929110  0.113313  0.427158  1
  Al  Al25  1  0.112316  0.698001  0.409917  1
  Al  Al26  1  0.100363  0.365145  0.427371  1
  Al  Al27  1  0.100337  0.045818  0.381623  1
  Al  Al28  1  0.781065  0.695320  0.402340  1
  Al  Al29  1  0.766516  0.366797  0.424907  1
  Al  Al30  1  0.764224  0.046668  0.381795  1
  Al  Al31  1  0.447407  0.699465  0.408616  1
  Al  Al32  1  0.435392  0.368042  0.424370  1
  Al  Al33  1  0.431835  0.041302  0.389872  1
  Al  Al34  1  0.285786  0.796973  0.390214  1
  Al  Al35  1  0.269022  0.462381  0.407897  1
  Al  Al36  1  0.260966  0.114473  0.430282  1
  Al  Al37  1  0.607701  0.764867  0.449091  1
  Al  Al38  1  0.593747  0.417904  0.470991  1
  Al  Al39  1  0.594618  0.064121  0.495981  1
  Al  Al40  1  0.940427  0.764656  0.449926  1
  Al  Al41  1  0.928910  0.419031  0.470937  1
  Al  Al42  1  0.930108  0.063758  0.497241  1
  Al  Al43  1  0.101932  0.670074  0.473537  1
  Al  Al44  1  0.091904  0.325917  0.496074  1
  Al  Al45  1  0.090855  0.019364  0.447927  1
  Al  Al46  1  0.770202  0.671661  0.470709  1
  Al  Al47  1  0.758706  0.329558  0.495441  1
  Al  Al48  1  0.758481  0.021541  0.446471  1
  Al  Al49  1  0.437675  0.671224  0.472209  1
  Al  Al50  1  0.425790  0.325435  0.496268  1
  Al  Al51  1  0.424063  0.019977  0.449573  1
  Al  Al52  1  0.273342  0.764316  0.452328  1
  Al  Al53  1  0.261684  0.415861  0.473376  1
  Al  Al54  1  0.261247  0.063517  0.497493  1
  Al  Al55  1  0.598437  0.713884  0.519797  1
  Al  Al56  1  0.589751  0.368947  0.544220  1
  Al  Al57  1  0.597854  0.021185  0.571412  1
  Al  Al58  1  0.932365  0.713749  0.520567  1
  Al  Al59  1  0.923091  0.367863  0.546051  1
  Al  Al60  1  0.930973  0.028052  0.567961  1
  Al  Al61  1  0.098184  0.625935  0.547998  1
  Al  Al62  1  0.103674  0.279517  0.565580  1
  Al  Al63  1  0.093022  -0.028107  0.521905  1
  Al  Al64  1  0.763395  0.629998  0.548428  1
  Al  Al65  1  0.771010  0.278682  0.572733  1
  Al  Al66  1  0.758764  -0.023994  0.523259  1
  Al  Al67  1  0.430350  0.626829  0.547597  1
  Al  Al68  1  0.436880  0.278334  0.569723  1
  Al  Al69  1  0.426956  -0.028983  0.520983  1
  Al  Al70  1  0.265302  0.712317  0.521052  1
  Al  Al71  1  0.256257  0.371616  0.543787  1
  Al  Al72  1  0.266548  0.024048  0.565759  1
  Al  Al73  1  0.596950  0.668748  0.598010  1
  Al  Al74  1  0.606216  0.334747  0.615761  1
  Al  Al75  1  0.601987  -0.004978  0.636353  1
  Al  Al76  1  0.932711  0.668672  0.595832  1
  Al  Al77  1  0.940132  0.337057  0.622089  1
  Al  Al78  1  0.933664  -0.003045  0.626437  1
  Al  Al79  1  0.093554  0.574583  0.620335  1
  Al  Al80  1  0.111470  0.237334  0.620896  1
  Al  Al81  1  0.096071  0.926648  0.582787  1
  Al  Al82  1  0.759917  0.576116  0.620827  1
  Al  Al83  1  0.779254  0.235345  0.633317  1
  Al  Al84  1  0.763381  0.925382  0.588050  1
  Al  Al85  1  0.426443  0.574421  0.619671  1
  Al  Al86  1  0.438055  0.231947  0.636256  1
  Al  Al87  1  0.429810  0.924111  0.586747  1
  Al  Al88  1  0.264681  0.667718  0.596232  1
  Al  Al89  1  0.270575  0.338587  0.610640  1
  Al  Al90  1  0.271523  -0.003174  0.625526  1
  Al  Al91  1  0.587992  0.658459  0.659169  1
  Al  Al92  1  0.585406  0.310950  0.673144  1
  Al  Al93  1  0.600078  -0.062298  0.685519  1
  Al  Al94  1  0.921891  0.660798  0.655397  1
  Al  Al95  1  0.920024  0.308099  0.679110  1
  Al  Al96  1  0.929461  -0.043962  0.680787  1
  Al  Al97  1  0.087784  0.572703  0.677713  1
  Al  Al98  1  0.079053  0.212134  0.677031  1
  Al  Al99  1  0.102780  0.894523  0.640678  1
  Al  Al100  1  0.758938  0.570850  0.677806  1
  Al  Al101  1  0.742813  0.217881  0.688907  1
  Al  Al102  1  0.771027  0.889188  0.643307  1
  Al  Al103  1  0.422537  0.566985  0.676700  1
  Al  Al104  1  0.406635  0.222130  0.693301  1
  Al  Al105  1  0.436163  0.888997  0.642113  1
  Al  Al106  1  0.256808  0.659150  0.656889  1
  Al  Al107  1  0.246843  0.310228  0.668124  1
  Al  Al108  1  0.270268  -0.045278  0.679782  1
  H  H109  1  0.107217  0.891558  0.323984  1
  H  H110  1  0.908125  0.592561  0.261458  1
  H  H111  1  1.005553  0.159939  0.294936  1
  H  H112  1  0.942366  0.662377  0.318368  1
  H  H113  1  0.827476  0.464222  0.303302  1
  H  H114  1  0.816115  0.045261  0.289545  1
  H  H115  1  0.764282  0.892639  0.328220  1
  H  H116  1  0.892643  0.563195  0.257846  1
  H  H117  1  0.870084  0.161252  0.297954  1
  H  H118  1  0.588410  0.538368  0.305261  1
  H  H119  1  0.566047  0.365255  0.263551  1
  H  H120  1  0.537952  0.861825  0.289794  1
  H  H121  1  0.077721  0.839308  0.293121  1
  H  H122  1  0.121874  0.507407  0.309895  1
  H  H123  1  0.110188  0.334232  0.265387  1
  H  H124  1  0.254335  0.901598  0.326389  1
  H  H125  1  0.216478  0.538229  0.314687  1
  H  H126  1  0.301082  0.167044  0.323330  1
  H  H127  1  0.080194  0.648837  0.317130  1
  H  H128  1  0.106866  0.420251  0.321146  1
  H  H129  1  0.083348  0.010423  0.334493  1
  H  H130  1  0.316878  0.775923  0.288078  1
  H  H131  1  0.256554  0.365623  0.325123  1
  H  H132  1  0.293871  0.116987  0.294173  1
  H  H133  1  0.426034  0.890252  0.337294  1
  H  H134  1  0.517515  0.506740  0.295629  1
  H  H135  1  0.572787  0.161823  0.317969  1
  H  H136  1  0.418022  0.838935  0.290664  1
  H  H137  1  0.437456  0.546415  0.342215  1
  H  H138  1  0.504810  0.327445  0.268132  1
  H  H139  1  0.772540  0.872299  0.304800  1
  H  H140  1  0.762333  0.547859  0.328280  1
  H  H141  1  0.640218  0.330629  0.269596  1
  H  H142  1  0.271900  0.657473  0.324978  1
  H  H143  1  0.400656  0.455472  0.306605  1
  H  H144  1  0.444945  -0.006507  0.319424  1
  H  H145  1  0.598212  0.675231  0.319482  1
  H  H146  1  0.721047  0.437975  0.297190  1
  H  H147  1  0.601219  0.063170  0.295455  1
  H  H148  1  0.782585  0.742104  0.293046  1
  H  H149  1  0.867712  0.363024  0.319345  1
  H  H150  1  0.577018  0.113221  0.294191  1
  H  H151  1  0.341516  0.735103  0.301962  1
  H  H152  1  0.444208  0.401202  0.315056  1
  H  H153  1  0.265588  0.069910  0.294368  1
  H  H154  1  0.657952  0.765371  0.289409  1
  H  H155  1  0.602320  0.352138  0.326001  1
  H  H156  1  0.588397  -0.013512  0.355586  1
  H  H157  1  0.898200  0.558409  0.327071  1
  H  H158  1  1.044964  0.354582  0.260541  1
  H  H159  1  0.938125  0.838423  0.287729  1
  H  H160  1  0.999467  0.743798  0.306979  1
  H  H161  1  0.939591  0.330946  0.333321  1
  H  H162  1  0.945119  0.059291  0.294282  1
  H  H163  1  1.024710  0.853850  0.427538  1
  H  H164  1  0.106739  0.550714  0.356917  1
  H  H165  1  0.101777  0.215664  0.393679  1
  H  H166  1  0.801064  0.605116  0.412706  1
  H  H167  1  0.936671  0.307864  0.364354  1
  H  H168  1  0.863322  -0.029217  0.404942  1
  H  H169  1  0.775520  0.833393  0.425554  1
  H  H170  1  0.856634  0.540736  0.380080  1
  H  H171  1  0.762901  0.222579  0.384914  1
  H  H172  1  0.519640  0.558088  0.396909  1
  H  H173  1  0.607295  0.212422  0.334246  1
  H  H174  1  0.519902  0.877865  0.362877  1
  H  H175  1  0.135542  0.873584  0.377509  1
  H  H176  1  0.103077  0.541687  0.413247  1
  H  H177  1  0.114916  0.199942  0.340438  1
  H  H178  1  0.219830  0.847383  0.429175  1
  H  H179  1  0.206210  0.543200  0.381682  1
  H  H180  1  0.253693  0.205101  0.414608  1
  H  H181  1  0.950091  0.633544  0.432124  1
  H  H182  1  0.198698  0.294946  0.362513  1
  H  H183  1  1.054100  -0.035254  0.406474  1
  H  H184  1  0.289128  0.639883  0.351827  1
  H  H185  1  0.251720  0.310696  0.396403  1
  H  H186  1  0.310450  0.004338  0.316415  1
  H  H187  1  0.536900  0.848546  0.424476  1
  H  H188  1  0.541568  0.544304  0.366328  1
  H  H189  1  0.436517  0.226494  0.382657  1
  H  H190  1  0.454382  0.873835  0.394610  1
  H  H191  1  0.439882  0.536985  0.418546  1
  H  H192  1  0.433882  0.223481  0.354856  1
  H  H193  1  0.787867  0.875975  0.384452  1
  H  H194  1  0.766029  0.544814  0.408351  1
  H  H195  1  0.775661  0.219850  0.348407  1
  H  H196  1  0.281861  0.622770  0.419426  1
  H  H197  1  0.272120  0.317218  0.341342  1
  H  H198  1  0.342258  -0.047112  0.387539  1
  H  H199  1  0.607998  0.635001  0.430879  1
  H  H200  1  0.607905  0.315670  0.344817  1
  H  H201  1  0.616359  -0.032830  0.385082  1
  H  H202  1  0.773198  0.636904  0.361406  1
  H  H203  1  0.772616  0.280658  0.407446  1
  H  H204  1  0.755830  0.003399  0.336799  1
  H  H205  1  0.282224  0.632028  0.386497  1
  H  H206  1  0.446068  0.286293  0.400992  1
  H  H207  1  0.268473  -0.027395  0.367002  1
  H  H208  1  0.587375  0.647336  0.373238  1
  H  H209  1  0.608982  0.317518  0.389850  1
  H  H210  1  0.582886  -0.046907  0.426744  1
  H  H211  1  1.021692  0.531004  0.436829  1
  H  H212  1  0.953847  0.220544  0.339915  1
  H  H213  1  0.950382  0.886361  0.371110  1
  H  H214  1  0.980168  0.644106  0.374070  1
  H  H215  1  0.942647  0.299753  0.403614  1
  H  H216  1  0.934963  -0.012306  0.354091  1
  H  H217  1  0.095601  0.791254  0.529316  1
  H  H218  1  0.100293  0.497988  0.464008  1
  H  H219  1  0.100031  0.145141  0.502442  1
  H  H220  1  0.925539  0.619875  0.506200  1
  H  H221  1  0.922165  0.304375  0.454717  1
  H  H222  1  0.917629  -0.028727  0.480470  1
  H  H223  1  0.827044  0.786204  0.494070  1
  H  H224  1  0.759132  0.482020  0.444656  1
  H  H225  1  0.835050  0.138288  0.471261  1
  H  H226  1  0.581478  0.503644  0.490350  1
  H  H227  1  0.582870  0.208682  0.430305  1
  H  H228  1  0.579209  0.855672  0.458844  1
  H  H229  1  0.105016  0.827944  0.477483  1
  H  H230  1  0.091941  0.483807  0.496643  1
  H  H231  1  0.084679  0.181704  0.448440  1
  H  H232  1  0.201965  0.793100  0.498626  1
  H  H233  1  0.304662  0.498250  0.452872  1
  H  H234  1  0.209768  0.148543  0.474549  1
  H  H235  1  0.147576  0.590713  0.501697  1
  H  H236  1  0.147180  0.283415  0.448684  1
  H  H237  1  0.145624  -0.058457  0.474678  1
  H  H238  1  0.257731  0.603641  0.451110  1
  H  H239  1  0.251229  0.254409  0.477372  1
  H  H240  1  0.249891  -0.045693  0.423960  1
  H  H241  1  0.523501  0.792384  0.494897  1
  H  H242  1  0.544425  0.496848  0.443078  1
  H  H243  1  0.537300  0.145681  0.472286  1
  H  H244  1  0.437433  0.834531  0.468752  1
  H  H245  1  0.423533  0.488223  0.491096  1
  H  H246  1  0.419991  0.193183  0.437052  1
  H  H247  1  0.773358  0.837846  0.464789  1
  H  H248  1  0.759463  0.491568  0.487535  1
  H  H249  1  0.760584  0.192781  0.436709  1
  H  H250  1  0.383806  0.593669  0.500170  1
  H  H251  1  0.351730  0.292292  0.449104  1
  H  H252  1  0.399722  -0.061966  0.472901  1
  H  H253  1  0.609678  0.620820  0.505908  1
  H  H254  1  0.599482  0.305922  0.452555  1
  H  H255  1  0.605878  -0.030335  0.480022  1
  H  H256  1  0.766532  0.578967  0.465327  1
  H  H257  1  0.754660  0.237753  0.485477  1
  H  H258  1  0.750600  0.931176  0.435312  1
  H  H259  1  0.404276  0.582453  0.466763  1
  H  H260  1  0.400499  0.236212  0.488379  1
  H  H261  1  0.388798  0.931643  0.440325  1
  H  H262  1  0.601388  0.593497  0.458546  1
  H  H263  1  0.593916  0.251767  0.480481  1
  H  H264  1  0.602064  0.897903  0.508564  1
  H  H265  1  0.933483  0.503052  0.490775  1
  H  H266  1  0.939049  0.205026  0.432703  1
  H  H267  1  0.985760  0.852174  0.464170  1
  H  H268  1  0.932371  0.593218  0.463651  1
  H  H269  1  0.914926  0.252545  0.482169  1
  H  H270  1  0.907868  -0.058633  0.443759  1
  H  H271  1  0.104396  0.745948  0.600431  1
  H  H272  1  1.066530  0.448466  0.533443  1
  H  H273  1  0.985662  0.117654  0.554985  1
  H  H274  1  0.922359  0.571560  0.578356  1
  H  H275  1  0.913721  0.276363  0.527508  1
  H  H276  1  0.911225  0.902948  0.545305  1
  H  H277  1  0.857315  0.739833  0.566005  1
  H  H278  1  0.769658  0.421575  0.513094  1
  H  H279  1  0.752567  0.076300  0.537491  1
  H  H280  1  0.585211  0.458467  0.557572  1
  H  H281  1  0.587273  0.155737  0.506727  1
  H  H282  1  0.566554  0.804148  0.528754  1
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  H  H432  1  0.960434  0.838062  0.673767  1
