# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.82750029
_cell_length_b   10.77966706
_cell_length_c   47.11038607
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.94125521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al96 H288'
_cell_volume   8027.21892284
_cell_formula_units_Z   96
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  0.917694  0.544287  0.358333  1
  Al  Al2  1  0.417694  0.544287  0.358333  1
  Al  Al3  1  0.896312  0.181772  0.353819  1
  Al  Al4  1  0.396312  0.181772  0.353819  1
  Al  Al5  1  0.050785  1.037079  0.350967  1
  Al  Al6  1  0.550785  1.037079  0.350967  1
  Al  Al7  1  0.016451  0.291488  0.355356  1
  Al  Al8  1  0.516451  0.291488  0.355356  1
  Al  Al9  1  0.029475  0.662726  0.363908  1
  Al  Al10  1  0.529475  0.662726  0.363908  1
  Al  Al11  1  -0.055352  0.910471  0.347053  1
  Al  Al12  1  0.444648  0.910471  0.347053  1
  Al  Al13  1  0.882968  0.364577  0.393238  1
  Al  Al14  1  0.382968  0.364577  0.393238  1
  Al  Al15  1  0.878328  1.017856  0.396366  1
  Al  Al16  1  0.378328  1.017856  0.396366  1
  Al  Al17  1  0.053737  0.865669  0.391126  1
  Al  Al18  1  0.553737  0.865669  0.391126  1
  Al  Al19  1  0.017186  0.127273  0.404779  1
  Al  Al20  1  0.517186  0.127273  0.404779  1
  Al  Al21  1  0.028838  0.442758  0.399170  1
  Al  Al22  1  0.528838  0.442758  0.399170  1
  Al  Al23  1  0.863144  0.791026  0.378516  1
  Al  Al24  1  0.363144  0.791026  0.378516  1
  Al  Al25  1  0.856887  0.203907  0.434770  1
  Al  Al26  1  0.356887  0.203907  0.434770  1
  Al  Al27  1  0.857488  0.821278  0.445538  1
  Al  Al28  1  0.357488  0.821278  0.445538  1
  Al  Al29  1  0.000605  0.690091  0.420066  1
  Al  Al30  1  0.500605  0.690091  0.420066  1
  Al  Al31  1  -0.024068  0.948864  0.444636  1
  Al  Al32  1  0.475932  0.948864  0.444636  1
  Al  Al33  1  -0.015805  0.317899  0.444468  1
  Al  Al34  1  0.484195  0.317899  0.444468  1
  Al  Al35  1  0.861628  0.601709  0.416130  1
  Al  Al36  1  0.361628  0.601709  0.416130  1
  Al  Al37  1  0.834378  1.015674  0.482343  1
  Al  Al38  1  0.334378  1.015674  0.482343  1
  Al  Al39  1  0.819655  0.600769  0.503886  1
  Al  Al40  1  0.319655  0.600769  0.503886  1
  Al  Al41  1  -0.050368  0.560506  0.466092  1
  Al  Al42  1  0.449632  0.560506  0.466092  1
  Al  Al43  1  0.906092  0.767723  0.502959  1
  Al  Al44  1  0.406092  0.767723  0.502959  1
  Al  Al45  1  -0.057273  0.148700  0.486380  1
  Al  Al46  1  0.442727  0.148700  0.486380  1
  Al  Al47  1  0.835435  0.407076  0.469915  1
  Al  Al48  1  0.335435  0.407076  0.469915  1
  Al  Al49  1  0.781682  0.791946  0.542401  1
  Al  Al50  1  0.281682  0.791946  0.542401  1
  Al  Al51  1  0.754246  0.389714  0.558424  1
  Al  Al52  1  0.254246  0.389714  0.558424  1
  Al  Al53  1  0.901191  0.343555  0.523382  1
  Al  Al54  1  0.401191  0.343555  0.523382  1
  Al  Al55  1  0.865011  0.530872  0.560504  1
  Al  Al56  1  0.365011  0.530872  0.560504  1
  Al  Al57  1  0.870288  0.964552  0.540257  1
  Al  Al58  1  0.370288  0.964552  0.540257  1
  Al  Al59  1  0.796748  0.209589  0.518959  1
  Al  Al60  1  0.296748  0.209589  0.518959  1
  Al  Al61  1  0.716144  0.624667  0.587261  1
  Al  Al62  1  0.216144  0.624667  0.587261  1
  Al  Al63  1  0.703949  0.248327  0.601876  1
  Al  Al64  1  0.203949  0.248327  0.601876  1
  Al  Al65  1  0.856843  0.139277  0.580708  1
  Al  Al66  1  0.356843  0.139277  0.580708  1
  Al  Al67  1  0.838914  0.367738  0.608993  1
  Al  Al68  1  0.338914  0.367738  0.608993  1
  Al  Al69  1  0.847269  0.736884  0.594414  1
  Al  Al70  1  0.347269  0.736884  0.594414  1
  Al  Al71  1  0.745163  0.997337  0.580802  1
  Al  Al72  1  0.245163  0.997337  0.580802  1
  Al  Al73  1  0.671773  0.489746  0.627386  1
  Al  Al74  1  0.171773  0.489746  0.627386  1
  Al  Al75  1  0.642815  0.081451  0.631406  1
  Al  Al76  1  0.142815  0.081451  0.631406  1
  Al  Al77  1  0.826919  0.923554  0.632380  1
  Al  Al78  1  0.326919  0.923554  0.632380  1
  Al  Al79  1  0.834315  0.162054  0.643258  1
  Al  Al80  1  0.334315  0.162054  0.643258  1
  Al  Al81  1  0.826189  0.586448  0.639302  1
  Al  Al82  1  0.326189  0.586448  0.639302  1
  Al  Al83  1  0.693175  0.823760  0.622272  1
  Al  Al84  1  0.193175  0.823760  0.622272  1
  Al  Al85  1  0.669050  0.283166  0.658667  1
  Al  Al86  1  0.169050  0.283166  0.658667  1
  Al  Al87  1  0.637667  0.921698  0.673643  1
  Al  Al88  1  0.137667  0.921698  0.673643  1
  Al  Al89  1  0.793652  0.783375  0.676753  1
  Al  Al90  1  0.293652  0.783375  0.676753  1
  Al  Al91  1  0.747501  1.046792  0.678139  1
  Al  Al92  1  0.247501  1.046792  0.678139  1
  Al  Al93  1  0.781363  0.399876  0.669231  1
  Al  Al94  1  0.281363  0.399876  0.669231  1
  Al  Al95  1  0.681522  0.661280  0.666437  1
  Al  Al96  1  0.181522  0.661280  0.666437  1
  H  H97  1  0.865893  0.057897  0.316506  1
  H  H98  1  0.365893  0.057897  0.316506  1
  H  H99  1  0.036504  0.285344  0.306214  1
  H  H100  1  0.536504  0.285344  0.306214  1
  H  H101  1  -0.012958  0.179769  0.316083  1
  H  H102  1  0.487042  0.179769  0.316083  1
  H  H103  1  0.451074  0.536536  0.309288  1
  H  H104  1  -0.048926  0.536536  0.309288  1
  H  H105  1  0.101574  0.954621  0.307027  1
  H  H106  1  0.601574  0.954621  0.307027  1
  H  H107  1  -0.005164  0.737125  0.314814  1
  H  H108  1  0.494836  0.737125  0.314814  1
  H  H109  1  0.161143  0.869942  0.358923  1
  H  H110  1  0.661143  0.869942  0.358923  1
  H  H111  1  0.138847  1.008034  0.312944  1
  H  H112  1  0.638847  1.008034  0.312944  1
  H  H113  1  0.890607  0.382096  0.332123  1
  H  H114  1  0.390607  0.382096  0.332123  1
  H  H115  1  0.889591  0.602419  0.312129  1
  H  H116  1  0.389591  0.602419  0.312129  1
  H  H117  1  0.796339  0.248970  0.317899  1
  H  H118  1  0.296339  0.248970  0.317899  1
  H  H119  1  -0.012610  0.828606  0.303648  1
  H  H120  1  0.487390  0.828606  0.303648  1
  H  H121  1  0.242002  0.539818  0.268232  1
  H  H122  1  0.742002  0.539818  0.268232  1
  H  H123  1  0.305020  0.509211  0.275473  1
  H  H124  1  0.805020  0.509211  0.275473  1
  H  H125  1  0.148145  0.621692  0.334427  1
  H  H126  1  0.648145  0.621692  0.334427  1
  H  H127  1  0.256065  0.576192  0.287667  1
  H  H128  1  0.756065  0.576192  0.287667  1
  H  H129  1  0.442435  0.063485  0.311771  1
  H  H130  1  -0.057565  0.063485  0.311771  1
  H  H131  1  0.098139  0.276473  0.312980  1
  H  H132  1  0.598139  0.276473  0.312980  1
  H  H133  1  0.760315  0.989692  0.382080  1
  H  H134  1  0.260315  0.989692  0.382080  1
  H  H135  1  0.149049  0.128519  0.343916  1
  H  H136  1  0.649049  0.128519  0.343916  1
  H  H137  1  0.808655  0.066081  0.352165  1
  H  H138  1  0.308655  0.066081  0.352165  1
  H  H139  1  0.329596  0.311195  0.314069  1
  H  H140  1  0.829596  0.311195  0.314069  1
  H  H141  1  0.847117  0.831940  0.327447  1
  H  H142  1  0.347117  0.831940  0.327447  1
  H  H143  1  0.789215  0.673501  0.354320  1
  H  H144  1  0.289215  0.673501  0.354320  1
  H  H145  1  0.152593  0.671742  0.384850  1
  H  H146  1  0.652593  0.671742  0.384850  1
  H  H147  1  0.092526  0.808328  0.343292  1
  H  H148  1  0.592526  0.808328  0.343292  1
  H  H149  1  0.782101  0.336387  0.366677  1
  H  H150  1  0.282101  0.336387  0.366677  1
  H  H151  1  0.795353  0.508526  0.360562  1
  H  H152  1  0.295353  0.508526  0.360562  1
  H  H153  1  0.768883  0.219195  0.394424  1
  H  H154  1  0.268883  0.219195  0.394424  1
  H  H155  1  0.120817  0.556958  0.326548  1
  H  H156  1  0.620817  0.556958  0.326548  1
  H  H157  1  0.038939  0.490308  0.333978  1
  H  H158  1  0.538939  0.490308  0.333978  1
  H  H159  1  0.154633  0.234304  0.339366  1
  H  H160  1  0.654633  0.234304  0.339366  1
  H  H161  1  0.142990  0.466019  0.375988  1
  H  H162  1  0.642990  0.466019  0.375988  1
  H  H163  1  0.127864  0.363411  0.361893  1
  H  H164  1  0.627864  0.363411  0.361893  1
  H  H165  1  0.287523  0.898348  0.338116  1
  H  H166  1  0.787523  0.898348  0.338116  1
  H  H167  1  0.147397  0.980610  0.386379  1
  H  H168  1  0.647397  0.980610  0.386379  1
  H  H169  1  0.751848  0.726380  0.442284  1
  H  H170  1  0.251848  0.726380  0.442284  1
  H  H171  1  0.110185  0.936093  0.428905  1
  H  H172  1  0.610185  0.936093  0.428905  1
  H  H173  1  0.785161  1.048764  0.434526  1
  H  H174  1  0.285161  1.048764  0.434526  1
  H  H175  1  0.225541  0.298474  0.416908  1
  H  H176  1  0.725541  0.298474  0.416908  1
  H  H177  1  0.750917  0.722917  0.387053  1
  H  H178  1  0.250917  0.722917  0.387053  1
  H  H179  1  0.763215  0.508101  0.413059  1
  H  H180  1  0.263215  0.508101  0.413059  1
  H  H181  1  0.086224  0.561301  0.453858  1
  H  H182  1  0.586224  0.561301  0.453858  1
  H  H183  1  0.125476  0.554636  0.402024  1
  H  H184  1  0.625476  0.554636  0.402024  1
  H  H185  1  0.755660  0.232403  0.470376  1
  H  H186  1  0.255660  0.232403  0.470376  1
  H  H187  1  0.744006  0.404044  0.433530  1
  H  H188  1  0.244006  0.404044  0.433530  1
  H  H189  1  0.728009  0.966509  0.458234  1
  H  H190  1  0.228009  0.966509  0.458234  1
  H  H191  1  0.085987  0.430891  0.444287  1
  H  H192  1  0.585987  0.430891  0.444287  1
  H  H193  1  0.115837  0.231559  0.391073  1
  H  H194  1  0.615837  0.231559  0.391073  1
  H  H195  1  0.158668  0.103112  0.406841  1
  H  H196  1  0.658668  0.103112  0.406841  1
  H  H197  1  0.126507  0.284940  0.444562  1
  H  H198  1  0.626507  0.284940  0.444562  1
  H  H199  1  0.120765  0.171594  0.434889  1
  H  H200  1  0.620765  0.171594  0.434889  1
  H  H201  1  0.258673  0.818727  0.413391  1
  H  H202  1  0.758673  0.818727  0.413391  1
  H  H203  1  0.104479  0.768069  0.433885  1
  H  H204  1  0.604479  0.768069  0.433885  1
  H  H205  1  0.705883  0.534655  0.489119  1
  H  H206  1  0.205883  0.534655  0.489119  1
  H  H207  1  0.001069  0.743921  0.466836  1
  H  H208  1  0.501069  0.743921  0.466836  1
  H  H209  1  0.771910  0.805255  0.482451  1
  H  H210  1  0.271910  0.805255  0.482451  1
  H  H211  1  0.194301  1.048233  0.479281  1
  H  H212  1  0.694301  1.048233  0.479281  1
  H  H213  1  0.735870  0.610917  0.461827  1
  H  H214  1  0.235870  0.610917  0.461827  1
  H  H215  1  0.710804  0.383559  0.483648  1
  H  H216  1  0.210804  0.383559  0.483648  1
  H  H217  1  0.002649  0.428860  0.506017  1
  H  H218  1  0.502649  0.428860  0.506017  1
  H  H219  1  0.058157  0.376931  0.481893  1
  H  H220  1  0.558157  0.376931  0.481893  1
  H  H221  1  0.742229  0.982520  0.516342  1
  H  H222  1  0.242229  0.982520  0.516342  1
  H  H223  1  0.699845  0.162320  0.491261  1
  H  H224  1  0.199845  0.162320  0.491261  1
  H  H225  1  0.693113  0.779435  0.505057  1
  H  H226  1  0.193113  0.779435  0.505057  1
  H  H227  1  0.052205  0.225361  0.485513  1
  H  H228  1  0.552205  0.225361  0.485513  1
  H  H229  1  0.053512  0.095859  0.453686  1
  H  H230  1  0.553512  0.095859  0.453686  1
  H  H231  1  0.105642  0.870357  0.462577  1
  H  H232  1  0.605642  0.870357  0.462577  1
  H  H233  1  0.064000  0.083295  0.511801  1
  H  H234  1  0.564000  0.083295  0.511801  1
  H  H235  1  0.066612  0.958541  0.481314  1
  H  H236  1  0.566612  0.958541  0.481314  1
  H  H237  1  0.182065  0.662364  0.487143  1
  H  H238  1  0.682065  0.662364  0.487143  1
  H  H239  1  0.041983  0.620756  0.496020  1
  H  H240  1  0.541983  0.620756  0.496020  1
  H  H241  1  0.655416  0.317337  0.534916  1
  H  H242  1  0.155416  0.317337  0.534916  1
  H  H243  1  -0.047644  0.571110  0.526442  1
  H  H244  1  0.452356  0.571110  0.526442  1
  H  H245  1  0.725744  0.593670  0.538096  1
  H  H246  1  0.225744  0.593670  0.538096  1
  H  H247  1  0.149365  0.843730  0.525896  1
  H  H248  1  0.649365  0.843730  0.525896  1
  H  H249  1  0.679298  0.402174  0.514254  1
  H  H250  1  0.179298  0.402174  0.514254  1
  H  H251  1  0.693977  0.144776  0.542163  1
  H  H252  1  0.193977  0.144776  0.542163  1
  H  H253  1  -0.041580  0.186774  0.557516  1
  H  H254  1  0.458420  0.186774  0.557516  1
  H  H255  1  0.043841  0.196505  0.517523  1
  H  H256  1  0.543841  0.196505  0.517523  1
  H  H257  1  0.650513  0.792505  0.556401  1
  H  H258  1  0.150513  0.792505  0.556401  1
  H  H259  1  0.652779  0.944075  0.552231  1
  H  H260  1  0.152779  0.944075  0.552231  1
  H  H261  1  0.623906  0.570352  0.556996  1
  H  H262  1  0.123906  0.570352  0.556996  1
  H  H263  1  -0.020696  0.051979  0.530123  1
  H  H264  1  0.479304  0.051979  0.530123  1
  H  H265  1  -0.022420  0.921416  0.494434  1
  H  H266  1  0.477580  0.921416  0.494434  1
  H  H267  1  0.046321  0.699154  0.515169  1
  H  H268  1  0.546321  0.699154  0.515169  1
  H  H269  1  0.006404  0.930387  0.548682  1
  H  H270  1  0.506404  0.930387  0.548682  1
  H  H271  1  0.005261  0.805722  0.531147  1
  H  H272  1  0.505261  0.805722  0.531147  1
  H  H273  1  0.125945  0.462076  0.534827  1
  H  H274  1  0.625945  0.462076  0.534827  1
  H  H275  1  -0.003798  0.370816  0.555170  1
  H  H276  1  0.496202  0.370816  0.555170  1
  H  H277  1  0.534440  0.112873  0.601583  1
  H  H278  1  0.034440  0.112873  0.601583  1
  H  H279  1  -0.041231  0.361497  0.588291  1
  H  H280  1  0.458769  0.361497  0.588291  1
  H  H281  1  0.623930  0.437516  0.583592  1
  H  H282  1  0.123930  0.437516  0.583592  1
  H  H283  1  0.087376  0.682377  0.569274  1
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