# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.30309929
_cell_length_b   14.18239041
_cell_length_c   50.98575413
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.58077607
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al216 H648'
_cell_volume   16001.5245025
_cell_formula_units_Z   216
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  0.334993  0.837035  0.401521  1
  Al  Al2  1  0.001659  0.837035  0.401521  1
  Al  Al3  1  0.312730  0.231344  0.343900  1
  Al  Al4  1  0.668326  0.837035  0.401521  1
  Al  Al5  1  -0.020603  0.231344  0.343900  1
  Al  Al6  1  0.338309  0.039917  0.361942  1
  Al  Al7  1  0.646063  0.231344  0.343900  1
  Al  Al8  1  0.004976  0.039917  0.361942  1
  Al  Al9  1  0.671642  0.039917  0.361942  1
  Al  Al10  1  0.326446  0.683995  0.365744  1
  Al  Al11  1  -0.006887  0.683995  0.365744  1
  Al  Al12  1  0.316281  0.535267  0.397308  1
  Al  Al13  1  0.659780  0.683995  0.365744  1
  Al  Al14  1  -0.017052  0.535267  0.397308  1
  Al  Al15  1  0.333169  0.859276  0.350049  1
  Al  Al16  1  0.649614  0.535267  0.397308  1
  Al  Al17  1  -0.000164  0.859276  0.350049  1
  Al  Al18  1  0.666503  0.859276  0.350049  1
  Al  Al19  1  0.426059  0.486229  0.371727  1
  Al  Al20  1  0.092726  0.486229  0.371727  1
  Al  Al21  1  0.426214  0.878500  0.328552  1
  Al  Al22  1  0.759392  0.486229  0.371727  1
  Al  Al23  1  0.092881  0.878500  0.328552  1
  Al  Al24  1  0.451373  0.662455  0.364554  1
  Al  Al25  1  0.759548  0.878500  0.328552  1
  Al  Al26  1  0.118039  0.662455  0.364554  1
  Al  Al27  1  0.784706  0.662455  0.364554  1
  Al  Al28  1  0.400760  0.249916  0.318691  1
  Al  Al29  1  0.067427  0.249916  0.318691  1
  Al  Al30  1  0.412260  0.066358  0.328626  1
  Al  Al31  1  0.734094  0.249916  0.318691  1
  Al  Al32  1  0.078927  0.066358  0.328626  1
  Al  Al33  1  0.431869  0.850962  0.379185  1
  Al  Al34  1  0.745594  0.066358  0.328626  1
  Al  Al35  1  0.098535  0.850962  0.379185  1
  Al  Al36  1  0.765202  0.850962  0.379185  1
  Al  Al37  1  0.440715  0.378309  0.329261  1
  Al  Al38  1  0.107382  0.378309  0.329261  1
  Al  Al39  1  0.421848  0.175539  0.369141  1
  Al  Al40  1  0.774048  0.378309  0.329261  1
  Al  Al41  1  0.088515  0.175539  0.369141  1
  Al  Al42  1  0.476340  0.527126  0.325357  1
  Al  Al43  1  0.755181  0.175539  0.369141  1
  Al  Al44  1  0.143007  0.527126  0.325357  1
  Al  Al45  1  0.809673  0.527126  0.325357  1
  Al  Al46  1  0.362280  0.568875  0.323943  1
  Al  Al47  1  0.028947  0.568875  0.323943  1
  Al  Al48  1  0.337630  0.397259  0.355514  1
  Al  Al49  1  0.695613  0.568875  0.323943  1
  Al  Al50  1  0.004297  0.397259  0.355514  1
  Al  Al51  1  0.399538  0.720006  0.317543  1
  Al  Al52  1  0.670963  0.397259  0.355514  1
  Al  Al53  1  0.066205  0.720006  0.317543  1
  Al  Al54  1  0.732872  0.720006  0.317543  1
  Al  Al55  1  0.252679  0.252587  0.517736  1
  Al  Al56  1  0.919345  0.252587  0.517736  1
  Al  Al57  1  0.299782  0.651672  0.443686  1
  Al  Al58  1  0.586012  0.252587  0.517736  1
  Al  Al59  1  -0.033552  0.651672  0.443686  1
  Al  Al60  1  0.275844  0.463150  0.479541  1
  Al  Al61  1  0.633115  0.651672  0.443686  1
  Al  Al62  1  0.942510  0.463150  0.479541  1
  Al  Al63  1  0.609177  0.463150  0.479541  1
  Al  Al64  1  0.278580  0.120581  0.477249  1
  Al  Al65  1  0.945246  0.120581  0.477249  1
  Al  Al66  1  0.250973  0.913498  0.521544  1
  Al  Al67  1  0.611913  0.120581  0.477249  1
  Al  Al68  1  0.917640  0.913498  0.521544  1
  Al  Al69  1  0.302572  0.331472  0.438709  1
  Al  Al70  1  0.584307  0.913498  0.521544  1
  Al  Al71  1  -0.030761  0.331472  0.438709  1
  Al  Al72  1  0.635906  0.331472  0.438709  1
  Al  Al73  1  0.336171  0.908185  0.487928  1
  Al  Al74  1  0.002838  0.908185  0.487928  1
  Al  Al75  1  0.388559  0.329414  0.402722  1
  Al  Al76  1  0.669505  0.908185  0.487928  1
  Al  Al77  1  0.055225  0.329414  0.402722  1
  Al  Al78  1  0.366663  0.127963  0.448364  1
  Al  Al79  1  0.721892  0.329414  0.402722  1
  Al  Al80  1  0.033330  0.127963  0.448364  1
  Al  Al81  1  0.699996  0.127963  0.448364  1
  Al  Al82  1  0.394412  0.626609  0.410769  1
  Al  Al83  1  0.061078  0.626609  0.410769  1
  Al  Al84  1  0.365415  0.447152  0.446537  1
  Al  Al85  1  0.727745  0.626609  0.410769  1
  Al  Al86  1  0.032082  0.447152  0.446537  1
  Al  Al87  1  0.339465  0.253289  0.487666  1
  Al  Al88  1  0.698748  0.447152  0.446537  1
  Al  Al89  1  0.006132  0.253289  0.487666  1
  Al  Al90  1  0.672798  0.253289  0.487666  1
  Al  Al91  1  0.366042  0.769479  0.449768  1
  Al  Al92  1  0.032709  0.769479  0.449768  1
  Al  Al93  1  0.342923  0.572709  0.491003  1
  Al  Al94  1  0.699375  0.769479  0.449768  1
  Al  Al95  1  0.009590  0.572709  0.491003  1
  Al  Al96  1  0.398885  1.014958  0.407160  1
  Al  Al97  1  0.676257  0.572709  0.491003  1
  Al  Al98  1  0.065551  1.014958  0.407160  1
  Al  Al99  1  0.732218  1.014958  0.407160  1
  Al  Al100  1  0.321652  0.980262  0.439501  1
  Al  Al101  1  -0.011682  0.980262  0.439501  1
  Al  Al102  1  0.277781  0.781670  0.483300  1
  Al  Al103  1  0.654985  0.980262  0.439501  1
  Al  Al104  1  0.944448  0.781670  0.483300  1
  Al  Al105  1  0.320626  0.207004  0.397489  1
  Al  Al106  1  0.611114  0.781670  0.483300  1
  Al  Al107  1  -0.012708  0.207004  0.397489  1
  Al  Al108  1  0.653959  0.207004  0.397489  1
  Al  Al109  1  0.161633  0.621779  0.643403  1
  Al  Al110  1  0.828300  0.621779  0.643403  1
  Al  Al111  1  0.225493  0.047651  0.559865  1
  Al  Al112  1  0.494966  0.621779  0.643403  1
  Al  Al113  1  0.892159  0.047651  0.559865  1
  Al  Al114  1  0.199631  0.825775  0.606852  1
  Al  Al115  1  0.558826  0.047651  0.559865  1
  Al  Al116  1  0.866298  0.825775  0.606852  1
  Al  Al117  1  0.532965  0.825775  0.606852  1
  Al  Al118  1  0.195365  0.497862  0.600107  1
  Al  Al119  1  0.862032  0.497862  0.600107  1
  Al  Al120  1  0.159945  0.327921  0.634935  1
  Al  Al121  1  0.528698  0.497862  0.600107  1
  Al  Al122  1  0.826612  0.327921  0.634935  1
  Al  Al123  1  0.215736  0.711280  0.563405  1
  Al  Al124  1  0.493279  0.327921  0.634935  1
  Al  Al125  1  0.882403  0.711280  0.563405  1
  Al  Al126  1  0.549070  0.711280  0.563405  1
  Al  Al127  1  0.265000  0.287955  0.605872  1
  Al  Al128  1  0.931666  0.287955  0.605872  1
  Al  Al129  1  0.307040  0.706252  0.532050  1
  Al  Al130  1  0.598333  0.287955  0.605872  1
  Al  Al131  1  -0.026293  0.706252  0.532050  1
  Al  Al132  1  0.283861  0.507724  0.567469  1
  Al  Al133  1  0.640373  0.706252  0.532050  1
  Al  Al134  1  0.950528  0.507724  0.567469  1
  Al  Al135  1  0.617194  0.507724  0.567469  1
  Al  Al136  1  0.310871  0.043317  0.525249  1
  Al  Al137  1  -0.022462  0.043317  0.525249  1
  Al  Al138  1  0.272833  0.842630  0.570914  1
  Al  Al139  1  0.644205  0.043317  0.525249  1
  Al  Al140  1  0.939500  0.842630  0.570914  1
  Al  Al141  1  0.255243  0.618256  0.610474  1
  Al  Al142  1  0.606166  0.842630  0.570914  1
  Al  Al143  1  0.921909  0.618256  0.610474  1
  Al  Al144  1  0.588576  0.618256  0.610474  1
  Al  Al145  1  0.289358  0.164019  0.565725  1
  Al  Al146  1  0.956025  0.164019  0.565725  1
  Al  Al147  1  0.245637  0.982868  0.610819  1
  Al  Al148  1  0.622691  0.164019  0.565725  1
  Al  Al149  1  0.912304  0.982868  0.610819  1
  Al  Al150  1  0.314169  0.382469  0.526900  1
  Al  Al151  1  0.578971  0.982868  0.610819  1
  Al  Al152  1  -0.019164  0.382469  0.526900  1
  Al  Al153  1  0.647503  0.382469  0.526900  1
  Al  Al154  1  0.227897  0.376173  0.558388  1
  Al  Al155  1  0.894564  0.376173  0.558388  1
  Al  Al156  1  0.190937  0.187230  0.596521  1
  Al  Al157  1  0.561230  0.376173  0.558388  1
  Al  Al158  1  0.857604  0.187230  0.596521  1
  Al  Al159  1  0.246579  0.592021  0.520238  1
  Al  Al160  1  0.524271  0.187230  0.596521  1
  Al  Al161  1  0.913245  0.592021  0.520238  1
  Al  Al162  1  0.579912  0.592021  0.520238  1
  Al  Al163  1  0.171618  1.004726  0.729627  1
  Al  Al164  1  0.838285  1.004726  0.729627  1
  Al  Al165  1  0.140547  0.471668  0.670388  1
  Al  Al166  1  0.504951  1.004726  0.729627  1
  Al  Al167  1  0.807214  0.471668  0.670388  1
  Al  Al168  1  0.155043  0.177995  0.705977  1
  Al  Al169  1  0.473881  0.471668  0.670388  1
  Al  Al170  1  0.821709  0.177995  0.705977  1
  Al  Al171  1  0.488376  0.177995  0.705977  1
  Al  Al172  1  0.106009  0.040805  0.687222  1
  Al  Al173  1  0.772676  0.040805  0.687222  1
  Al  Al174  1  0.117982  0.882847  0.718829  1
  Al  Al175  1  0.439343  0.040805  0.687222  1
  Al  Al176  1  0.784649  0.882847  0.718829  1
  Al  Al177  1  0.144957  0.161282  0.653778  1
  Al  Al178  1  0.451315  0.882847  0.718829  1
  Al  Al179  1  0.811623  0.161282  0.653778  1
  Al  Al180  1  0.478290  0.161282  0.653778  1
  Al  Al181  1  0.207575  0.701235  0.714669  1
  Al  Al182  1  0.874241  0.701235  0.714669  1
  Al  Al183  1  0.260999  0.132335  0.639670  1
  Al  Al184  1  0.540908  0.701235  0.714669  1
  Al  Al185  1  0.927666  0.132335  0.639670  1
  Al  Al186  1  0.220021  0.859325  0.692674  1
  Al  Al187  1  0.594333  0.132335  0.639670  1
  Al  Al188  1  0.886687  0.859325  0.692674  1
  Al  Al189  1  0.553354  0.859325  0.692674  1
  Al  Al190  1  0.248882  0.409958  0.646487  1
  Al  Al191  1  0.915548  0.409958  0.646487  1
  Al  Al192  1  0.220977  0.259721  0.681137  1
  Al  Al193  1  0.582215  0.409958  0.646487  1
  Al  Al194  1  0.887643  0.259721  0.681137  1
  Al  Al195  1  0.241710  0.020659  0.680018  1
  Al  Al196  1  0.554310  0.259721  0.681137  1
  Al  Al197  1  0.908377  0.020659  0.680018  1
  Al  Al198  1  0.575043  0.020659  0.680018  1
  Al  Al199  1  0.244324  0.533297  0.685239  1
  Al  Al200  1  0.910991  0.533297  0.685239  1
  Al  Al201  1  0.199387  0.417524  0.713684  1
  Al  Al202  1  0.577657  0.533297  0.685239  1
  Al  Al203  1  0.866053  0.417524  0.713684  1
  Al  Al204  1  0.236362  0.718564  0.655374  1
  Al  Al205  1  0.532720  0.417524  0.713684  1
  Al  Al206  1  0.903029  0.718564  0.655374  1
  Al  Al207  1  0.569695  0.718564  0.655374  1
  Al  Al208  1  0.124609  0.791187  0.674456  1
  Al  Al209  1  0.791276  0.791187  0.674456  1
  Al  Al210  1  0.133892  0.619691  0.703268  1
  Al  Al211  1  0.457942  0.791187  0.674456  1
  Al  Al212  1  0.800558  0.619691  0.703268  1
  Al  Al213  1  0.170940  0.954840  0.645821  1
  Al  Al214  1  0.467225  0.619691  0.703268  1
  Al  Al215  1  0.837606  0.954840  0.645821  1
  Al  Al216  1  0.504273  0.954840  0.645821  1
  H  H217  1  0.270166  0.650077  0.333558  1
  H  H218  1  0.936832  0.650077  0.333558  1
  H  H219  1  0.278284  0.417200  0.396386  1
  H  H220  1  0.603499  0.650077  0.333558  1
  H  H221  1  0.944951  0.417200  0.396386  1
  H  H222  1  0.301508  0.840506  0.308755  1
  H  H223  1  0.611618  0.417200  0.396386  1
  H  H224  1  -0.031825  0.840506  0.308755  1
  H  H225  1  0.634841  0.840506  0.308755  1
  H  H226  1  0.502138  0.699694  0.396710  1
  H  H227  1  0.168805  0.699694  0.396710  1
  H  H228  1  0.445025  0.964067  0.291544  1
  H  H229  1  0.835471  0.699694  0.396710  1
  H  H230  1  0.111692  0.964067  0.291544  1
  H  H231  1  0.526506  0.826027  0.319163  1
  H  H232  1  0.778358  0.964067  0.291544  1
  H  H233  1  0.193172  0.826027  0.319163  1
  H  H234  1  0.859839  0.826027  0.319163  1
  H  H235  1  0.267013  0.715074  0.401998  1
  H  H236  1  0.933679  0.715074  0.401998  1
  H  H237  1  0.395482  0.975576  0.291481  1
  H  H238  1  0.600346  0.715074  0.401998  1
  H  H239  1  0.062149  0.975576  0.291481  1
  H  H240  1  0.279545  0.782965  0.328736  1
  H  H241  1  0.728816  0.975576  0.291481  1
  H  H242  1  0.946211  0.782965  0.328736  1
  H  H243  1  0.612878  0.782965  0.328736  1
  H  H244  1  0.656381  0.234751  0.298289  1
  H  H245  1  0.323048  0.234751  0.298289  1
  H  H246  1  0.595719  0.135956  0.331789  1
  H  H247  1  -0.010285  0.234751  0.298289  1
  H  H248  1  0.262385  0.135956  0.331789  1
  H  H249  1  0.576407  0.940783  0.387366  1
  H  H250  1  0.929052  0.135956  0.331789  1
  H  H251  1  0.243073  0.940783  0.387366  1
  H  H252  1  0.909740  0.940783  0.387366  1
  H  H253  1  0.313676  0.593705  0.284817  1
  H  H254  1  -0.019658  0.593705  0.284817  1
  H  H255  1  0.265555  0.558596  0.354571  1
  H  H256  1  0.647009  0.593705  0.284817  1
  H  H257  1  0.932222  0.558596  0.354571  1
  H  H258  1  0.418909  0.767639  0.275087  1
  H  H259  1  0.598888  0.558596  0.354571  1
  H  H260  1  0.085576  0.767639  0.275087  1
  H  H261  1  0.752243  0.767639  0.275087  1
  H  H262  1  0.317709  0.462945  0.312931  1
  H  H263  1  -0.015624  0.462945  0.312931  1
  H  H264  1  0.259559  0.352698  0.373105  1
  H  H265  1  0.651043  0.462945  0.312931  1
  H  H266  1  0.926225  0.352698  0.373105  1
  H  H267  1  0.421320  0.589084  0.288289  1
  H  H268  1  0.592892  0.352698  0.373105  1
  H  H269  1  0.087986  0.589084  0.288289  1
  H  H270  1  0.754653  0.589084  0.288289  1
  H  H271  1  0.521804  0.491316  0.364060  1
  H  H272  1  0.188471  0.491316  0.364060  1
  H  H273  1  0.479805  0.321633  0.384224  1
  H  H274  1  0.855137  0.491316  0.364060  1
  H  H275  1  0.146472  0.321633  0.384224  1
  H  H276  1  0.458010  0.773763  0.294211  1
  H  H277  1  0.813139  0.321633  0.384224  1
  H  H278  1  0.124677  0.773763  0.294211  1
  H  H279  1  0.791344  0.773763  0.294211  1
  H  H280  1  0.519502  0.371034  0.350567  1
  H  H281  1  0.186169  0.371034  0.350567  1
  H  H282  1  0.490608  0.218637  0.394889  1
  H  H283  1  0.852835  0.371034  0.350567  1
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  H  H862  1  0.640199  0.105605  0.679065  1
  H  H863  1  0.936236  0.935914  0.718683  1
  H  H864  1  0.602903  0.935914  0.718683  1
