# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49218990
_cell_length_b   16.81713145
_cell_length_c   56.64494130
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.63035031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al120 H360'
_cell_volume   9753.05072897
_cell_formula_units_Z   120
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  0.778053  0.614537  0.270661  1
  Al  Al2  1  0.565074  0.591968  0.297447  1
  Al  Al3  1  0.278036  0.114546  0.270664  1
  Al  Al4  1  0.065067  0.091952  0.297452  1
  Al  Al5  1  0.252040  0.386239  0.326521  1
  Al  Al6  1  0.428633  0.442561  0.292505  1
  Al  Al7  1  0.752045  0.886246  0.326524  1
  Al  Al8  1  0.928658  0.942531  0.292507  1
  Al  Al9  1  0.937346  0.781175  0.327028  1
  Al  Al10  1  0.084080  0.843665  0.289278  1
  Al  Al11  1  0.437334  0.281165  0.327028  1
  Al  Al12  1  0.584031  0.343678  0.289280  1
  Al  Al13  1  0.723343  0.485488  0.297380  1
  Al  Al14  1  0.558771  0.436197  0.334363  1
  Al  Al15  1  0.223339  0.985479  0.297379  1
  Al  Al16  1  0.058782  0.936201  0.334365  1
  Al  Al17  1  0.841651  0.627636  0.316198  1
  Al  Al18  1  0.011803  0.691844  0.280751  1
  Al  Al19  1  0.341634  0.127631  0.316198  1
  Al  Al20  1  0.511796  0.191850  0.280753  1
  Al  Al21  1  0.829443  0.778068  0.281900  1
  Al  Al22  1  0.649825  0.733446  0.315787  1
  Al  Al23  1  0.329420  0.278086  0.281904  1
  Al  Al24  1  0.149802  0.233435  0.315788  1
  Al  Al25  1  0.386865  0.538022  0.336529  1
  Al  Al26  1  0.123003  0.483777  0.392619  1
  Al  Al27  1  0.886863  1.038022  0.336533  1
  Al  Al28  1  0.623003  0.983775  0.392619  1
  Al  Al29  1  0.737070  0.284673  0.422203  1
  Al  Al30  1  0.055858  0.339414  0.373491  1
  Al  Al31  1  0.237070  0.784672  0.422203  1
  Al  Al32  1  0.555861  0.839411  0.373490  1
  Al  Al33  1  0.426291  0.719876  0.402300  1
  Al  Al34  1  0.743611  0.761395  0.361065  1
  Al  Al35  1  0.926290  0.219876  0.402301  1
  Al  Al36  1  0.243609  0.261398  0.361066  1
  Al  Al37  1  0.314078  0.420132  0.372475  1
  Al  Al38  1  0.986068  0.365593  0.420478  1
  Al  Al39  1  0.814083  0.920125  0.372477  1
  Al  Al40  1  0.486068  0.865592  0.420478  1
  Al  Al41  1  0.370600  0.571482  0.385959  1
  Al  Al42  1  0.644197  0.593963  0.347257  1
  Al  Al43  1  0.870598  0.071480  0.385959  1
  Al  Al44  1  0.144194  0.093965  0.347261  1
  Al  Al45  1  0.476060  0.692033  0.355318  1
  Al  Al46  1  0.180334  0.634144  0.407584  1
  Al  Al47  1  0.976055  0.192036  0.355319  1
  Al  Al48  1  0.680333  0.134142  0.407584  1
  Al  Al49  1  0.794295  0.435935  0.437070  1
  Al  Al50  1  0.491977  0.393646  0.479064  1
  Al  Al51  1  0.294295  0.935935  0.437070  1
  Al  Al52  1  0.991977  0.893644  0.479064  1
  Al  Al53  1  0.118621  0.194011  0.510876  1
  Al  Al54  1  0.422127  0.240904  0.464784  1
  Al  Al55  1  0.618618  0.694010  0.510877  1
  Al  Al56  1  0.922127  0.740903  0.464784  1
  Al  Al57  1  0.807113  0.622092  0.495831  1
  Al  Al58  1  0.114259  0.666854  0.451694  1
  Al  Al59  1  0.307115  0.122092  0.495830  1
  Al  Al60  1  0.614257  0.166854  0.451694  1
  Al  Al61  1  0.679568  0.316860  0.467003  1
  Al  Al62  1  0.370313  0.275756  0.509074  1
  Al  Al63  1  0.179568  0.816860  0.467003  1
  Al  Al64  1  0.870313  0.775753  0.509075  1
  Al  Al65  1  0.746430  0.469080  0.482232  1
  Al  Al66  1  0.049890  0.515592  0.436549  1
  Al  Al67  1  0.246432  0.969080  0.482232  1
  Al  Al68  1  0.549890  1.015591  0.436549  1
  Al  Al69  1  0.861978  0.587413  0.451768  1
  Al  Al70  1  0.554286  0.545303  0.493671  1
  Al  Al71  1  0.361978  0.087413  0.451768  1
  Al  Al72  1  0.054288  1.045302  0.493671  1
  Al  Al73  1  0.184281  0.340684  0.529072  1
  Al  Al74  1  0.860728  0.297783  0.576289  1
  Al  Al75  1  0.684281  0.840682  0.529072  1
  Al  Al76  1  0.360743  0.797797  0.576292  1
  Al  Al77  1  0.557625  0.125133  0.591239  1
  Al  Al78  1  0.793754  0.140322  0.559048  1
  Al  Al79  1  0.057595  0.625112  0.591242  1
  Al  Al80  1  0.293739  0.640333  0.559048  1
  Al  Al81  1  0.209598  0.514379  0.593542  1
  Al  Al82  1  0.485630  0.577787  0.537874  1
  Al  Al83  1  0.709595  1.014381  0.593546  1
  Al  Al84  1  0.985640  0.077784  0.537873  1
  Al  Al85  1  0.045327  0.223866  0.556638  1
  Al  Al86  1  0.833811  0.167414  0.604973  1
  Al  Al87  1  0.545322  0.723869  0.556639  1
  Al  Al88  1  0.333795  0.667411  0.604973  1
  Al  Al89  1  0.119022  0.369565  0.574888  1
  Al  Al90  1  0.432049  0.426371  0.523873  1
  Al  Al91  1  0.619029  0.869572  0.574888  1
  Al  Al92  1  0.932052  0.926367  0.523873  1
  Al  Al93  1  0.241486  0.490542  0.544163  1
  Al  Al94  1  0.947645  0.464031  0.585013  1
  Al  Al95  1  0.741489  0.990538  0.544162  1
  Al  Al96  1  0.447650  0.964049  0.585015  1
  Al  Al97  1  0.627810  0.265052  0.613127  1
  Al  Al98  1  0.461592  0.202367  0.648968  1
  Al  Al99  1  0.127782  0.765031  0.613129  1
  Al  Al100  1  0.961624  0.702394  0.648993  1
  Al  Al101  1  0.199649  1.003627  0.654701  1
  Al  Al102  1  0.353167  0.080650  0.620721  1
  Al  Al103  1  0.699631  0.503616  0.654701  1
  Al  Al104  1  0.853181  0.580687  0.620732  1
  Al  Al105  1  0.838761  0.394005  0.665084  1
  Al  Al106  1  0.020412  0.458597  0.631875  1
  Al  Al107  1  0.338774  0.894014  0.665085  1
  Al  Al108  1  0.520419  0.958592  0.631877  1
  Al  Al109  1  0.651900  0.107661  0.637548  1
  Al  Al110  1  0.441200  1.056596  0.665824  1
  Al  Al111  1  0.151879  0.607668  0.637549  1
  Al  Al112  1  0.941183  0.556590  0.665827  1
  Al  Al113  1  0.713174  0.240589  0.661718  1
  Al  Al114  1  0.898651  0.305211  0.626874  1
  Al  Al115  1  0.213222  0.740597  0.661718  1
  Al  Al116  1  0.398658  0.805207  0.626874  1
  Al  Al117  1  0.752359  0.420011  0.616814  1
  Al  Al118  1  0.582059  0.352638  0.653478  1
  Al  Al119  1  0.252350  0.919989  0.616813  1
  Al  Al120  1  0.082077  0.852655  0.653476  1
  H  H121  1  0.033700  0.332372  0.313656  1
  H  H122  1  0.328156  0.384864  0.259264  1
  H  H123  1  0.533710  0.832378  0.313659  1
  H  H124  1  0.828203  0.884847  0.259260  1
  H  H125  1  0.911042  0.578900  0.242240  1
  H  H126  1  0.726877  0.369997  0.319233  1
  H  H127  1  0.411049  0.078888  0.242246  1
  H  H128  1  0.226887  0.869995  0.319233  1
  H  H129  1  0.717421  0.416442  0.261770  1
  H  H130  1  0.216156  0.409684  0.284625  1
  H  H131  1  0.217454  0.916453  0.261769  1
  H  H132  1  0.716169  0.909671  0.284628  1
  H  H133  1  0.210478  0.534049  0.311582  1
  H  H134  1  0.577679  0.596239  0.255986  1
  H  H135  1  0.710474  1.034037  0.311583  1
  H  H136  1  0.077656  0.096231  0.255989  1
  H  H137  1  0.992733  0.792632  0.253774  1
  H  H138  1  0.643767  0.752541  0.263338  1
  H  H139  1  0.492694  0.292649  0.253777  1
  H  H140  1  0.143751  0.252532  0.263338  1
  H  H141  1  0.788015  0.690559  0.236646  1
  H  H142  1  0.455348  0.696674  0.294337  1
  H  H143  1  0.288012  0.190550  0.236644  1
  H  H144  1  0.955328  0.196654  0.294337  1
  H  H145  1  0.135499  0.742907  0.312614  1
  H  H146  1  0.198446  0.773577  0.264621  1
  H  H147  1  0.635503  0.242910  0.312608  1
  H  H148  1  0.698429  0.273583  0.264623  1
  H  H149  1  0.792329  0.759443  0.226655  1
  H  H150  1  0.229886  0.760152  0.284258  1
  H  H151  1  0.292307  0.259437  0.226656  1
  H  H152  1  0.729860  0.260198  0.284263  1
  H  H153  1  0.693053  0.486631  0.256284  1
  H  H154  1  0.341881  0.554117  0.296204  1
  H  H155  1  0.193058  0.986635  0.256284  1
  H  H156  1  0.841886  1.054084  0.296206  1
  H  H157  1  0.296701  0.652090  0.331474  1
  H  H158  1  0.549009  0.709891  0.275763  1
  H  H159  1  0.796698  0.152090  0.331475  1
  H  H160  1  0.049002  0.209879  0.275766  1
  H  H161  1  0.128757  0.479470  0.318183  1
  H  H162  1  0.484350  0.535080  0.262227  1
  H  H163  1  0.628745  0.979468  0.318184  1
  H  H164  1  0.984339  1.035067  0.262229  1
  H  H165  1  0.939974  0.557398  0.288018  1
  H  H166  1  0.127037  0.701603  0.244409  1
  H  H167  1  0.439963  1.057408  0.288019  1
  H  H168  1  0.627026  0.201608  0.244417  1
  H  H169  1  0.921324  0.533918  0.255102  1
  H  H170  1  0.036415  0.666579  0.239981  1
  H  H171  1  0.421394  1.033944  0.255111  1
  H  H172  1  0.536398  0.166597  0.239984  1
  H  H173  1  0.911585  0.432782  0.295138  1
  H  H174  1  0.238273  0.531537  0.254777  1
  H  H175  1  0.411585  0.932777  0.295137  1
  H  H176  1  0.738184  1.031588  0.254817  1
  H  H177  1  0.836413  0.717698  0.218581  1
  H  H178  1  0.200503  0.647306  0.283884  1
  H  H179  1  0.336409  0.217701  0.218581  1
  H  H180  1  0.700491  0.147256  0.283896  1
  H  H181  1  0.902731  0.505532  0.321161  1
  H  H182  1  0.147024  0.602334  0.273430  1
  H  H183  1  0.402729  1.005532  0.321161  1
  H  H184  1  0.647197  0.102319  0.273390  1
  H  H185  1  0.110444  0.348971  0.293832  1
  H  H186  1  0.465355  0.382118  0.256809  1
  H  H187  1  0.610451  0.848975  0.293834  1
  H  H188  1  0.965391  0.882107  0.256807  1
  H  H189  1  0.857602  0.404509  0.280556  1
  H  H190  1  0.259832  0.505937  0.240999  1
  H  H191  1  0.357602  0.904501  0.280555  1
  H  H192  1  0.759856  1.005803  0.240955  1
  H  H193  1  0.528417  0.212808  0.411225  1
  H  H194  1  0.853670  0.291238  0.354813  1
  H  H195  1  0.028421  0.712813  0.411221  1
  H  H196  1  0.353671  0.791235  0.354813  1
  H  H197  1  0.463967  0.342111  0.363827  1
  H  H198  1  0.195128  0.366767  0.406754  1
  H  H199  1  0.963970  0.842109  0.363826  1
  H  H200  1  0.695126  0.866765  0.406755  1
  H  H201  1  0.063093  0.421177  0.340157  1
  H  H202  1  0.850144  0.332332  0.387288  1
  H  H203  1  0.563094  0.921180  0.340158  1
  H  H204  1  0.350146  0.832331  0.387288  1
  H  H205  1  0.682216  0.482754  0.408129  1
  H  H206  1  0.973892  0.521029  0.368416  1
  H  H207  1  0.182214  0.982754  0.408129  1
  H  H208  1  0.473890  1.021028  0.368416  1
  H  H209  1  0.376637  0.694971  0.317275  1
  H  H210  1  0.140101  0.743539  0.386660  1
  H  H211  1  0.876627  0.194958  0.317273  1
  H  H212  1  0.640100  0.243539  0.386660  1
  H  H213  1  0.270726  0.679665  0.371754  1
  H  H214  1  0.955180  0.609107  0.414638  1
  H  H215  1  0.770722  0.179669  0.371755  1
  H  H216  1  0.455176  0.109099  0.414636  1
  H  H217  1  0.647517  0.743027  0.397444  1
  H  H218  1  0.943624  0.727563  0.363520  1
  H  H219  1  0.147516  0.243028  0.397444  1
  H  H220  1  0.443625  0.227563  0.363522  1
  H  H221  1  0.057825  0.673204  0.332234  1
  H  H222  1  0.827897  0.671440  0.383818  1
  H  H223  1  0.557822  0.173206  0.332232  1
  H  H224  1  0.327899  0.171444  0.383818  1
  H  H225  1  0.203343  0.539968  0.357297  1
  H  H226  1  0.908433  0.474146  0.403063  1
  H  H227  1  0.703329  1.039988  0.357297  1
  H  H228  1  0.408433  0.974145  0.403063  1
  H  H229  1  0.728698  0.543492  0.419344  1
  H  H230  1  0.046173  0.591384  0.377416  1
  H  H231  1  0.228695  1.043492  0.419344  1
  H  H232  1  0.546172  0.091383  0.377417  1
  H  H233  1  0.673399  0.393316  0.403702  1
  H  H234  1  0.969773  0.445751  0.361543  1
  H  H235  1  0.173399  0.893316  0.403702  1
  H  H236  1  0.469773  0.945750  0.361543  1
  H  H237  1  0.590716  0.626409  0.384959  1
  H  H238  1  0.861648  0.630540  0.356795  1
  H  H239  1  0.090714  0.126410  0.384962  1
  H  H240  1  0.361655  0.130543  0.356796  1
  H  H241  1  0.532770  0.491231  0.372863  1
  H  H242  1  0.788059  0.505581  0.337320  1
  H  H243  1  0.032770  0.991228  0.372864  1
  H  H244  1  0.288058  1.005577  0.337320  1
  H  H245  1  0.422750  0.384456  0.404502  1
  H  H246  1  0.709710  0.401769  0.358913  1
  H  H247  1  0.922750  0.884452  0.404503  1
  H  H248  1  0.209714  0.901768  0.358914  1
  H  H249  1  0.032927  0.602417  0.329097  1
  H  H250  1  0.789235  0.601232  0.379298  1
  H  H251  1  0.532924  0.102419  0.329097  1
  H  H252  1  0.289238  0.101231  0.379298  1
  H  H253  1  0.426474  0.464966  0.407176  1
  H  H254  1  0.715484  0.473625  0.363445  1
  H  H255  1  0.926473  0.964965  0.407177  1
  H  H256  1  0.215490  0.973629  0.363446  1
  H  H257  1  0.623602  0.321245  0.392815  1
  H  H258  1  0.936781  0.310996  0.337523  1
  H  H259  1  0.123601  0.821245  0.392815  1
  H  H260  1  0.436778  0.810994  0.337524  1
  H  H261  1  0.376186  0.319057  0.393506  1
  H  H262  1  0.636170  0.328230  0.346307  1
  H  H263  1  0.876187  0.819052  0.393507  1
  H  H264  1  0.136175  0.828233  0.346309  1
  H  H265  1  0.904190  0.129874  0.501782  1
  H  H266  1  0.208056  0.164715  0.461126  1
  H  H267  1  0.404188  0.629876  0.501782  1
  H  H268  1  0.708057  0.664715  0.461126  1
  H  H269  1  0.884566  0.296742  0.454387  1
  H  H270  1  0.564521  0.240852  0.497591  1
  H  H271  1  0.384566  0.796741  0.454387  1
  H  H272  1  0.064523  0.740851  0.497591  1
  H  H273  1  0.536486  0.310409  0.434172  1
  H  H274  1  0.217463  0.259127  0.477552  1
  H  H275  1  0.036486  0.810407  0.434172  1
  H  H276  1  0.717462  0.759126  0.477553  1
  H  H277  1  0.059742  0.374776  0.499577  1
  H  H278  1  0.360151  0.425660  0.451415  1
  H  H279  1  0.559741  0.874774  0.499577  1
  H  H280  1  0.860149  0.925658  0.451416  1
  H  H281  1  0.751575  0.657095  0.426753  1
  H  H282  1  0.457954  0.594181  0.463801  1
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  H  H361  1  0.402242  0.529073  0.573959  1
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  H  H366  1  0.559782  0.473699  0.556148  1
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  H  H369  1  0.970594  0.333600  0.540235  1
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  H  H371  1  0.470597  0.833602  0.540236  1
  H  H372  1  0.185063  0.857111  0.581587  1
  H  H373  1  0.545936  0.381193  0.601622  1
  H  H374  1  0.792194  0.404308  0.555704  1
  H  H375  1  0.045926  0.881184  0.601623  1
  H  H376  1  0.292201  0.904311  0.555705  1
  H  H377  1  0.470367  0.239843  0.583665  1
  H  H378  1  0.730690  0.249531  0.541798  1
  H  H379  1  0.970366  0.739837  0.583667  1
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  H  H381  1  0.330651  0.387306  0.560504  1
  H  H382  1  0.655811  0.466174  0.519434  1
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  H  H388  1  0.085574  0.850007  0.513649  1
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  H  H391  1  0.670491  0.754939  0.590419  1
  H  H392  1  0.974579  0.728301  0.538997  1
  H  H393  1  0.866030  0.445515  0.512868  1
  H  H394  1  0.540645  0.398639  0.555541  1
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  H  H396  1  0.040649  0.898636  0.555541  1
  H  H397  1  0.214866  0.315772  0.606250  1
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  H  H400  1  0.989698  0.817049  0.542972  1
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  H  H445  1  0.816894  0.281431  0.710252  1
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  H  H450  1  0.262541  0.191827  0.634336  1
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  H  H457  1  0.777182  0.133998  0.677063  1
  H  H458  1  0.024341  0.212315  0.625538  1
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  H  H462  1  0.942889  0.182569  0.642035  1
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  H  H473  1  0.045614  1.049157  0.675543  1
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  H  H478  1  0.873753  1.051008  0.620161  1
  H  H479  1  0.121680  0.508084  0.669112  1
  H  H480  1  0.373741  0.551005  0.620162  1
