# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.56638092
_cell_length_b   8.42487831
_cell_length_c   44.29716667
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.41328175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al108 H324'
_cell_volume   9510.7716807
_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  0.770703  0.779037  0.412114  1
  Al  Al2  1  0.107085  0.815214  0.406051  1
  Al  Al3  1  0.446826  0.784695  0.412634  1
  Al  Al4  1  0.782445  0.451587  0.408577  1
  Al  Al5  1  0.106074  0.422044  0.413173  1
  Al  Al6  1  0.454282  0.490743  0.392760  1
  Al  Al7  1  0.861811  0.235700  0.420949  1
  Al  Al8  1  0.205728  0.296295  0.414194  1
  Al  Al9  1  0.520425  0.267600  0.414428  1
  Al  Al10  1  0.863228  0.624004  0.407607  1
  Al  Al11  1  0.184743  0.602906  0.410254  1
  Al  Al12  1  0.527810  0.581695  0.427714  1
  Al  Al13  1  0.856593  0.926631  0.422547  1
  Al  Al14  1  0.201063  0.890615  0.426363  1
  Al  Al15  1  0.531267  0.938236  0.421495  1
  Al  Al16  1  0.772022  0.124536  0.409067  1
  Al  Al17  1  0.129770  0.114991  0.409420  1
  Al  Al18  1  0.438823  0.094116  0.418529  1
  Al  Al19  1  0.755834  0.622992  0.465789  1
  Al  Al20  1  0.089325  0.643961  0.455656  1
  Al  Al21  1  0.425485  0.662770  0.467993  1
  Al  Al22  1  0.758166  0.300678  0.460568  1
  Al  Al23  1  0.090749  0.283611  0.469191  1
  Al  Al24  1  0.429405  0.372864  0.444879  1
  Al  Al25  1  0.844469  0.100187  0.478149  1
  Al  Al26  1  0.192511  0.122070  0.466845  1
  Al  Al27  1  0.515454  0.136422  0.469036  1
  Al  Al28  1  0.853594  0.476336  0.458039  1
  Al  Al29  1  0.179617  0.449130  0.464767  1
  Al  Al30  1  0.510231  0.457555  0.484055  1
  Al  Al31  1  0.841729  0.782146  0.477969  1
  Al  Al32  1  0.178998  0.752415  0.482005  1
  Al  Al33  1  0.520930  0.796843  0.473722  1
  Al  Al34  1  0.753023  0.975405  0.459278  1
  Al  Al35  1  0.100507  0.968335  0.460687  1
  Al  Al36  1  0.424253  0.976077  0.474838  1
  Al  Al37  1  0.743481  0.469701  0.545318  1
  Al  Al38  1  0.072469  0.515098  0.512029  1
  Al  Al39  1  0.409342  0.549971  0.533148  1
  Al  Al40  1  0.743652  0.168163  0.519248  1
  Al  Al41  1  0.081575  0.153615  0.543675  1
  Al  Al42  1  0.426917  0.269824  0.501842  1
  Al  Al43  1  0.818230  0.982670  0.544497  1
  Al  Al44  1  0.167716  0.991214  0.523524  1
  Al  Al45  1  0.490671  1.019657  0.526500  1
  Al  Al46  1  0.821666  0.368764  0.510238  1
  Al  Al47  1  0.158336  0.315808  0.520723  1
  Al  Al48  1  0.479960  0.310900  0.553662  1
  Al  Al49  1  0.824883  0.660375  0.538898  1
  Al  Al50  1  0.153968  0.625014  0.542794  1
  Al  Al51  1  0.497646  0.693582  0.528739  1
  Al  Al52  1  0.744805  0.838701  0.513087  1
  Al  Al53  1  0.081223  0.837813  0.515958  1
  Al  Al54  1  0.405870  0.868015  0.536442  1
  Al  Al55  1  0.720406  0.369670  0.600937  1
  Al  Al56  1  0.059487  0.424365  0.577163  1
  Al  Al57  1  0.390860  0.417494  0.591827  1
  Al  Al58  1  0.726080  1.049972  0.601793  1
  Al  Al59  1  0.058294  1.044621  0.599340  1
  Al  Al60  1  0.400642  0.092101  0.578455  1
  Al  Al61  1  0.816612  0.869701  0.603698  1
  Al  Al62  1  0.148827  0.891013  0.583259  1
  Al  Al63  1  0.469347  0.894226  0.609377  1
  Al  Al64  1  0.810514  0.206754  0.586739  1
  Al  Al65  1  0.141603  0.231074  0.598698  1
  Al  Al66  1  0.470467  0.226844  0.613975  1
  Al  Al67  1  0.807423  0.543561  0.600778  1
  Al  Al68  1  0.140099  0.562983  0.602992  1
  Al  Al69  1  0.476961  0.592332  0.586336  1
  Al  Al70  1  0.734412  0.763653  0.573279  1
  Al  Al71  1  0.060095  0.742107  0.575510  1
  Al  Al72  1  0.382640  0.750446  0.593411  1
  Al  Al73  1  0.697184  0.235274  0.655402  1
  Al  Al74  1  0.036022  0.287858  0.639115  1
  Al  Al75  1  0.373815  0.246496  0.647230  1
  Al  Al76  1  0.702771  0.920198  0.657596  1
  Al  Al77  1  0.028505  0.910658  0.649880  1
  Al  Al78  1  0.371565  0.921568  0.645730  1
  Al  Al79  1  0.799378  0.742187  0.660395  1
  Al  Al80  1  0.130775  0.761238  0.652970  1
  Al  Al81  1  0.461782  0.724792  0.663260  1
  Al  Al82  1  0.797483  1.074575  0.654159  1
  Al  Al83  1  0.121543  0.083405  0.652302  1
  Al  Al84  1  0.460896  1.054611  0.666764  1
  Al  Al85  1  0.789487  0.403963  0.655366  1
  Al  Al86  1  0.134876  0.411943  0.657392  1
  Al  Al87  1  0.464074  0.399834  0.665112  1
  Al  Al88  1  0.711920  0.633534  0.634254  1
  Al  Al89  1  0.046135  0.604159  0.637173  1
  Al  Al90  1  0.374025  0.577100  0.646725  1
  Al  Al91  1  0.684244  0.091687  0.710290  1
  Al  Al92  1  0.024338  0.126149  0.693183  1
  Al  Al93  1  0.359898  0.086300  0.701017  1
  Al  Al94  1  0.691841  0.776604  0.710230  1
  Al  Al95  1  0.027862  0.768796  0.702523  1
  Al  Al96  1  0.354811  0.755772  0.697648  1
  Al  Al97  1  0.776348  0.580351  0.709415  1
  Al  Al98  1  0.116053  0.599071  0.705371  1
  Al  Al99  1  0.436737  0.569921  0.715825  1
  Al  Al100  1  0.776553  0.930787  0.709220  1
  Al  Al101  1  0.108663  0.931448  0.706261  1
  Al  Al102  1  0.438740  0.888904  0.716347  1
  Al  Al103  1  0.765454  0.260558  0.707689  1
  Al  Al104  1  0.112314  0.249759  0.706541  1
  Al  Al105  1  0.442727  0.236427  0.715909  1
  Al  Al106  1  0.689435  0.491012  0.688391  1
  Al  Al107  1  0.031974  0.452121  0.691490  1
  Al  Al108  1  0.357545  0.413374  0.699733  1
  H  H109  1  0.722761  0.452794  0.368722  1
  H  H110  1  0.151255  0.293131  0.371166  1
  H  H111  1  0.454156  0.456114  0.341783  1
  H  H112  1  -0.067013  0.535386  0.376629  1
  H  H113  1  0.220317  0.562765  0.363808  1
  H  H114  1  0.534170  0.515655  0.376367  1
  H  H115  1  0.802106  0.634642  0.371726  1
  H  H116  1  0.119825  0.592426  0.374596  1
  H  H117  1  0.416203  0.491005  0.346471  1
  H  H118  1  0.087751  0.861401  0.354866  1
  H  H119  1  0.441480  0.843302  0.360766  1
  H  H120  1  0.704617  0.753825  0.377098  1
  H  H121  1  0.804617  0.270057  0.370565  1
  H  H122  1  0.098412  0.262867  0.369705  1
  H  H123  1  0.417959  0.255014  0.378431  1
  H  H124  1  0.733690  0.092574  0.362311  1
  H  H125  1  0.054164  1.035764  0.396753  1
  H  H126  1  0.502455  1.062656  0.379886  1
  H  H127  1  0.853079  0.387994  0.378095  1
  H  H128  1  0.281664  0.269014  0.387679  1
  H  H129  1  0.479736  0.261744  0.368904  1
  H  H130  1  -0.072674  0.163354  0.381028  1
  H  H131  1  0.315080  0.219741  0.327803  1
  H  H132  1  0.581262  0.240918  0.377613  1
  H  H133  1  0.807410  0.931567  0.376371  1
  H  H134  1  0.053064  0.832062  0.364361  1
  H  H135  1  0.387011  0.654632  0.391751  1
  H  H136  1  0.706698  1.052890  0.377103  1
  H  H137  1  0.138831  0.960457  0.367951  1
  H  H138  1  0.405483  0.962089  0.377808  1
  H  H139  1  0.737108  0.756544  0.363383  1
  H  H140  1  0.058028  0.626599  0.388490  1
  H  H141  1  0.464830  0.722695  0.362055  1
  H  H142  1  0.843253  0.088062  0.378800  1
  H  H143  1  0.195834  0.138415  0.375926  1
  H  H144  1  0.602814  0.933559  0.391785  1
  H  H145  1  0.878809  0.812437  0.373223  1
  H  H146  1  0.182275  0.821120  0.377436  1
  H  H147  1  0.525177  0.754174  0.385288  1
  H  H148  1  -0.092587  0.875039  0.353531  1
  H  H149  1  0.263681  0.690495  0.407226  1
  H  H150  1  0.601451  1.002959  0.333227  1
  H  H151  1  -0.061785  0.089829  0.362504  1
  H  H152  1  0.325666  0.140339  0.333135  1
  H  H153  1  0.598083  0.118316  0.343502  1
  H  H154  1  -0.069127  0.969628  0.351573  1
  H  H155  1  0.278181  0.820959  0.396188  1
  H  H156  1  0.633945  1.071642  0.333304  1
  H  H157  1  0.045831  0.334161  0.378076  1
  H  H158  1  0.383425  0.357996  0.398127  1
  H  H159  1  0.757602  0.413352  0.357455  1
  H  H160  1  -0.098484  0.546431  0.362339  1
  H  H161  1  0.207327  0.445406  0.367169  1
  H  H162  1  0.568758  0.364386  0.373400  1
  H  H163  1  0.685701  0.169761  0.448076  1
  H  H164  1  0.022304  0.385736  0.395874  1
  H  H165  1  0.360515  0.234174  0.425538  1
  H  H166  1  -0.086498  0.264425  0.464569  1
  H  H167  1  0.283350  0.380541  0.397310  1
  H  H168  1  0.592038  0.369795  0.430271  1
  H  H169  1  0.707914  0.605663  0.419488  1
  H  H170  1  0.033455  0.446241  0.440356  1
  H  H171  1  0.355168  0.375408  0.471378  1
  H  H172  1  0.030604  0.699543  0.415409  1
  H  H173  1  0.347730  0.692978  0.440177  1
  H  H174  1  0.674408  0.641376  0.449893  1
  H  H175  1  0.709361  0.330778  0.396736  1
  H  H176  1  0.047420  0.150122  0.429995  1
  H  H177  1  0.360077  0.107517  0.445253  1
  H  H178  1  0.675143  0.915451  0.480214  1
  H  H179  1  0.021837  0.948599  0.479609  1
  H  H180  1  0.374143  0.956937  0.398189  1
  H  H181  1  -0.048798  0.183003  0.415344  1
  H  H182  1  0.277659  1.023056  0.476371  1
  H  H183  1  0.595147  0.106543  0.415319  1
  H  H184  1  -0.077315  0.995866  0.459051  1
  H  H185  1  0.261361  0.077750  0.419419  1
  H  H186  1  0.597130  1.048275  0.446831  1
  H  H187  1  0.695397  0.906657  0.424888  1
  H  H188  1  0.010080  0.668602  0.478821  1
  H  H189  1  0.353661  0.631561  0.495762  1
  H  H190  1  0.676746  0.752269  0.481864  1
  H  H191  1  0.032642  0.847660  0.435221  1
  H  H192  1  0.370490  0.848555  0.439337  1
  H  H193  1  0.684727  0.475834  0.456216  1
  H  H194  1  0.005144  0.391768  0.483585  1
  H  H195  1  0.356021  0.544169  0.441418  1
  H  H196  1  -0.056950  0.901523  0.409587  1
  H  H197  1  0.272903  0.966024  0.450308  1
  H  H198  1  0.596568  0.857189  0.451174  1
  H  H199  1  -0.066378  0.779261  0.405550  1
  H  H200  1  0.248183  0.672545  0.445745  1
  H  H201  1  0.585615  0.594784  0.465357  1
  H  H202  1  -0.064355  0.519417  0.436633  1
  H  H203  1  0.262507  0.442239  0.442451  1
  H  H204  1  0.613838  0.503807  0.412949  1
  H  H205  1  -0.072502  0.845672  0.464791  1
  H  H206  1  0.267094  0.949126  0.392597  1
  H  H207  1  0.609853  0.815195  0.399845  1
  H  H208  1  -0.084106  0.666979  0.452532  1
  H  H209  1  0.268884  0.696421  0.476983  1
  H  H210  1  0.608022  0.630661  0.406970  1
  H  H211  1  -0.016769  0.171959  0.430696  1
  H  H212  1  0.338123  0.275592  0.492781  1
  H  H213  1  0.690540  0.250936  0.420459  1
  H  H214  1  -0.076041  0.416041  0.414616  1
  H  H215  1  0.261606  0.285354  0.454384  1
  H  H216  1  0.585232  0.293841  0.472540  1
  H  H217  1  0.677876  1.011919  0.533296  1
  H  H218  1  0.021593  0.117608  0.463175  1
  H  H219  1  0.357463  0.110641  0.502105  1
  H  H220  1  0.872433  0.163241  0.528869  1
  H  H221  1  0.239029  0.302471  0.493324  1
  H  H222  1  0.549274  0.228537  0.512018  1
  H  H223  1  0.692693  0.369977  0.491700  1
  H  H224  1  0.029775  0.281189  0.507669  1
  H  H225  1  0.382499  0.301870  0.545353  1
  H  H226  1  -0.012260  0.536375  0.487938  1
  H  H227  1  0.320371  0.514989  0.518426  1
  H  H228  1  0.651549  0.445918  0.544387  1
  H  H229  1  0.664503  0.100624  0.490953  1
  H  H230  1  0.015927  1.034864  0.518659  1
  H  H231  1  0.334883  1.048289  0.531472  1
  H  H232  1  0.667747  0.835250  0.537960  1
  H  H233  1  0.000729  0.846336  0.540440  1
  H  H234  1  0.358641  0.832714  0.491584  1
  H  H235  1  -0.111341  0.926460  0.512006  1
  H  H236  1  0.230576  0.926392  0.559909  1
  H  H237  1  0.571024  0.979859  0.499287  1
  H  H238  1  -0.104293  0.812333  0.545627  1
  H  H239  1  0.250023  1.014463  0.504584  1
  H  H240  1  0.567774  0.853237  0.529695  1
  H  H241  1  0.701123  0.609296  0.506627  1
  H  H242  1  0.001054  0.535280  0.540526  1
  H  H243  1  0.335674  0.577169  0.561903  1
  H  H244  1  0.670602  0.663365  0.544128  1
  H  H245  1  0.004811  0.720263  0.513837  1
  H  H246  1  0.332450  0.734452  0.531130  1
  H  H247  1  0.671218  0.345225  0.524136  1
  H  H248  1  0.005155  0.320536  0.542192  1
  H  H249  1  0.314819  0.389406  0.516798  1
  H  H250  1  -0.094926  0.717562  0.513846  1
  H  H251  1  0.225574  0.765621  0.528378  1
  H  H252  1  0.560799  0.578122  0.560353  1
  H  H253  1  -0.112444  0.559905  0.502181  1
  H  H254  1  0.217680  0.516304  0.507937  1
  H  H255  1  0.545922  0.451723  0.532992  1
  H  H256  1  -0.084433  0.396700  0.518430  1
  H  H257  1  0.234558  0.298310  0.548258  1
  H  H258  1  0.599438  0.438358  0.486660  1
  H  H259  1  -0.093749  0.571695  0.559966  1
  H  H260  1  0.261582  0.772618  0.499823  1
  H  H261  1  0.584335  0.712352  0.513220  1
  H  H262  1  -0.088366  0.448411  0.544389  1
  H  H263  1  0.237559  0.465439  0.547869  1
  H  H264  1  0.604182  0.579434  0.499487  1
  H  H265  1  -0.040146  0.108536  0.510785  1
  H  H266  1  0.318663  0.108606  0.556568  1
  H  H267  1  0.650913  0.147702  0.514909  1
  H  H268  1  -0.091883  0.256029  0.498238  1
  H  H269  1  0.236901  0.167042  0.524930  1
  H  H270  1  0.559807  0.142751  0.546121  1
  H  H271  1  0.596380  0.989361  0.596987  1
  H  H272  1  -0.046493  0.997809  0.519438  1
  H  H273  1  0.321873  0.967411  0.585149  1
  H  H274  1  0.870707  1.054394  0.622231  1
  H  H275  1  0.200085  0.094034  0.567123  1
  H  H276  1  0.509085  1.069860  0.576628  1
  H  H277  1  0.691036  0.196837  0.563096  1
  H  H278  1  -0.002540  0.131014  0.565090  1
  H  H279  1  0.330262  0.109788  0.612846  1
  H  H280  1  -0.018419  0.303417  0.574736  1
  H  H281  1  0.303531  0.376138  0.588886  1
  H  H282  1  0.634476  0.334314  0.620051  1
  H  H283  1  0.657561  0.911761  0.584472  1
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