# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.39148115
_cell_length_b   18.90211146
_cell_length_c   46.57262760
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.37054938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al252 H756'
_cell_volume   21417.7677079
_cell_formula_units_Z   252
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  0.225842  0.408271  0.341490  1
  Al  Al2  1  0.892480  0.408278  0.341475  1
  Al  Al3  1  0.252256  0.919268  0.342548  1
  Al  Al4  1  0.559143  0.408280  0.341479  1
  Al  Al5  1  0.918917  0.919266  0.342547  1
  Al  Al6  1  0.585582  0.919265  0.342547  1
  Al  Al7  1  0.237911  0.266792  0.338078  1
  Al  Al8  1  0.904569  0.266793  0.338073  1
  Al  Al9  1  0.226329  0.734712  0.351879  1
  Al  Al10  1  0.571232  0.266801  0.338075  1
  Al  Al11  1  0.892999  0.734711  0.351875  1
  Al  Al12  1  0.559664  0.734718  0.351871  1
  Al  Al13  1  0.324599  0.649643  0.352734  1
  Al  Al14  1  -0.008724  0.649649  0.352733  1
  Al  Al15  1  0.302701  0.132659  0.344067  1
  Al  Al16  1  0.657940  0.649654  0.352730  1
  Al  Al17  1  -0.030636  0.132646  0.344057  1
  Al  Al18  1  0.636026  0.132652  0.344059  1
  Al  Al19  1  0.322877  0.320423  0.335765  1
  Al  Al20  1  -0.010439  0.320406  0.335766  1
  Al  Al21  1  0.311933  0.789887  0.358880  1
  Al  Al22  1  0.656228  0.320409  0.335770  1
  Al  Al23  1  -0.021397  0.789892  0.358880  1
  Al  Al24  1  0.645272  0.789891  0.358876  1
  Al  Al25  1  0.311146  0.460613  0.345462  1
  Al  Al26  1  -0.022171  0.460614  0.345465  1
  Al  Al27  1  0.328182  0.988246  0.349366  1
  Al  Al28  1  0.644489  0.460621  0.345464  1
  Al  Al29  1  -0.005156  0.988246  0.349358  1
  Al  Al30  1  0.661509  0.988251  0.349358  1
  Al  Al31  1  0.243327  0.591760  0.343290  1
  Al  Al32  1  0.909989  0.591783  0.343290  1
  Al  Al33  1  0.226229  0.064393  0.346340  1
  Al  Al34  1  0.576653  0.591790  0.343288  1
  Al  Al35  1  0.892880  0.064386  0.346341  1
  Al  Al36  1  0.559543  0.064384  0.346348  1
  Al  Al37  1  0.213532  0.319202  0.394102  1
  Al  Al38  1  0.880191  0.319196  0.394097  1
  Al  Al39  1  0.211382  0.848452  0.385871  1
  Al  Al40  1  0.546855  0.319201  0.394100  1
  Al  Al41  1  0.878049  0.848446  0.385870  1
  Al  Al42  1  0.544720  0.848440  0.385870  1
  Al  Al43  1  0.211240  0.183099  0.378877  1
  Al  Al44  1  0.877896  0.183108  0.378878  1
  Al  Al45  1  0.208529  0.641548  0.396736  1
  Al  Al46  1  0.544565  0.183113  0.378882  1
  Al  Al47  1  0.875195  0.641537  0.396735  1
  Al  Al48  1  0.541860  0.641549  0.396732  1
  Al  Al49  1  0.315283  0.547069  0.390242  1
  Al  Al50  1  -0.018042  0.547077  0.390246  1
  Al  Al51  1  0.296198  1.056773  0.398740  1
  Al  Al52  1  0.648618  0.547087  0.390244  1
  Al  Al53  1  -0.037135  1.056775  0.398736  1
  Al  Al54  1  0.629532  1.056773  0.398739  1
  Al  Al55  1  0.317751  0.233287  0.379483  1
  Al  Al56  1  -0.015575  0.233274  0.379482  1
  Al  Al57  1  0.295014  0.703713  0.405241  1
  Al  Al58  1  0.651087  0.233276  0.379485  1
  Al  Al59  1  -0.038317  0.703718  0.405241  1
  Al  Al60  1  0.628348  0.703728  0.405237  1
  Al  Al61  1  0.299909  0.377473  0.393349  1
  Al  Al62  1  -0.033409  0.377452  0.393354  1
  Al  Al63  1  0.311296  0.905376  0.393044  1
  Al  Al64  1  0.633253  0.377458  0.393354  1
  Al  Al65  1  -0.022034  0.905379  0.393040  1
  Al  Al66  1  0.644635  0.905376  0.393039  1
  Al  Al67  1  0.213594  0.502583  0.383909  1
  Al  Al68  1  0.880252  0.502596  0.383910  1
  Al  Al69  1  0.204772  0.989246  0.393440  1
  Al  Al70  1  0.546916  0.502608  0.383911  1
  Al  Al71  1  0.871438  0.989240  0.393443  1
  Al  Al72  1  0.538106  0.989230  0.393450  1
  Al  Al73  1  0.178797  0.229663  0.456165  1
  Al  Al74  1  0.845463  0.229660  0.456166  1
  Al  Al75  1  0.190690  0.761124  0.429667  1
  Al  Al76  1  0.512131  0.229660  0.456167  1
  Al  Al77  1  0.857356  0.761127  0.429667  1
  Al  Al78  1  0.524022  0.761130  0.429669  1
  Al  Al79  1  0.192092  0.107393  0.425348  1
  Al  Al80  1  0.858761  0.107389  0.425348  1
  Al  Al81  1  0.179422  0.552678  0.458928  1
  Al  Al82  1  0.525428  0.107389  0.425349  1
  Al  Al83  1  0.846095  0.552671  0.458924  1
  Al  Al84  1  0.512760  0.552672  0.458927  1
  Al  Al85  1  0.276052  0.485783  0.434270  1
  Al  Al86  1  -0.057280  0.485785  0.434270  1
  Al  Al87  1  0.251412  0.974038  0.447733  1
  Al  Al88  1  0.609383  0.485790  0.434269  1
  Al  Al89  1  0.918080  0.974040  0.447734  1
  Al  Al90  1  0.584753  0.974041  0.447737  1
  Al  Al91  1  0.276327  0.182280  0.427052  1
  Al  Al92  1  -0.057011  0.182279  0.427051  1
  Al  Al93  1  0.254682  0.630518  0.452099  1
  Al  Al94  1  0.609658  0.182275  0.427054  1
  Al  Al95  1  0.921353  0.630514  0.452099  1
  Al  Al96  1  0.588014  0.630517  0.452098  1
  Al  Al97  1  0.257178  0.305318  0.456172  1
  Al  Al98  1  0.923846  0.305314  0.456174  1
  Al  Al99  1  0.277209  0.830140  0.434730  1
  Al  Al100  1  0.590512  0.305315  0.456172  1
  Al  Al101  1  -0.056122  0.830144  0.434726  1
  Al  Al102  1  0.610547  0.830148  0.434726  1
  Al  Al103  1  0.190076  0.426421  0.431958  1
  Al  Al104  1  0.856746  0.426427  0.431958  1
  Al  Al105  1  0.178240  0.887161  0.458000  1
  Al  Al106  1  0.523408  0.426433  0.431959  1
  Al  Al107  1  0.844909  0.887160  0.457999  1
  Al  Al108  1  0.511579  0.887157  0.458001  1
  Al  Al109  1  0.134817  0.123928  0.520922  1
  Al  Al110  1  0.801484  0.123932  0.520924  1
  Al  Al111  1  0.157701  0.674717  0.487592  1
  Al  Al112  1  0.468150  0.123924  0.520924  1
  Al  Al113  1  0.824367  0.674713  0.487590  1
  Al  Al114  1  0.491034  0.674708  0.487597  1
  Al  Al115  1  0.162615  1.005548  0.488050  1
  Al  Al116  1  0.829279  1.005551  0.488051  1
  Al  Al117  1  0.134340  0.460463  0.521541  1
  Al  Al118  1  0.495954  1.005547  0.488049  1
  Al  Al119  1  0.801005  0.460465  0.521540  1
  Al  Al120  1  0.467676  0.460461  0.521540  1
  Al  Al121  1  0.233748  0.422718  0.487855  1
  Al  Al122  1  0.900412  0.422719  0.487853  1
  Al  Al123  1  0.201190  0.874396  0.516593  1
  Al  Al124  1  0.567082  0.422717  0.487852  1
  Al  Al125  1  0.867861  0.874398  0.516591  1
  Al  Al126  1  0.534521  0.874397  0.516595  1
  Al  Al127  1  0.224532  0.095841  0.481855  1
  Al  Al128  1  0.891198  0.095840  0.481856  1
  Al  Al129  1  0.205243  0.542977  0.517826  1
  Al  Al130  1  0.557871  0.095840  0.481856  1
  Al  Al131  1  0.871907  0.542975  0.517825  1
  Al  Al132  1  0.538581  0.542974  0.517826  1
  Al  Al133  1  0.203597  0.211406  0.515211  1
  Al  Al134  1  0.870263  0.211408  0.515210  1
  Al  Al135  1  0.230217  0.753905  0.486230  1
  Al  Al136  1  0.536928  0.211401  0.515213  1
  Al  Al137  1  0.896884  0.753903  0.486230  1
  Al  Al138  1  0.563550  0.753902  0.486232  1
  Al  Al139  1  0.160009  0.344730  0.488549  1
  Al  Al140  1  0.826674  0.344731  0.488550  1
  Al  Al141  1  0.127808  0.798719  0.516764  1
  Al  Al142  1  0.493345  0.344725  0.488550  1
  Al  Al143  1  0.794476  0.798717  0.516761  1
  Al  Al144  1  0.461142  0.798718  0.516766  1
  Al  Al145  1  0.085939  1.053590  0.571330  1
  Al  Al146  1  0.752605  1.053567  0.571339  1
  Al  Al147  1  0.113725  0.585799  0.554737  1
  Al  Al148  1  0.419275  1.053613  0.571322  1
  Al  Al149  1  0.780391  0.585803  0.554738  1
  Al  Al150  1  0.447061  0.585793  0.554736  1
  Al  Al151  1  0.103592  0.917036  0.550967  1
  Al  Al152  1  0.770264  0.917030  0.550961  1
  Al  Al153  1  0.086557  0.384373  0.572613  1
  Al  Al154  1  0.436921  0.917039  0.550973  1
  Al  Al155  1  0.753225  0.384379  0.572614  1
  Al  Al156  1  0.419892  0.384367  0.572617  1
  Al  Al157  1  0.186223  0.328210  0.546917  1
  Al  Al158  1  0.852887  0.328212  0.546917  1
  Al  Al159  1  0.175141  0.793712  0.572203  1
  Al  Al160  1  0.519556  0.328209  0.546917  1
  Al  Al161  1  0.841806  0.793710  0.572201  1
  Al  Al162  1  0.508477  0.793709  0.572204  1
  Al  Al163  1  0.185114  0.992838  0.547115  1
  Al  Al164  1  0.851778  0.992843  0.547114  1
  Al  Al165  1  0.172382  0.451997  0.576669  1
  Al  Al166  1  0.518449  0.992834  0.547117  1
  Al  Al167  1  0.839042  0.452000  0.576668  1
  Al  Al168  1  0.505712  0.451989  0.576667  1
  Al  Al169  1  0.173098  0.118078  0.576660  1
  Al  Al170  1  0.839761  0.118081  0.576665  1
  Al  Al171  1  0.190666  0.666619  0.544954  1
  Al  Al172  1  0.506437  0.118082  0.576665  1
  Al  Al173  1  0.857332  0.666616  0.544953  1
  Al  Al174  1  0.524008  0.666609  0.544957  1
  Al  Al175  1  0.112092  0.247274  0.552604  1
  Al  Al176  1  0.778756  0.247274  0.552606  1
  Al  Al177  1  0.090487  0.731658  0.565029  1
  Al  Al178  1  0.445426  0.247270  0.552604  1
  Al  Al179  1  0.757155  0.731663  0.565030  1
  Al  Al180  1  0.423827  0.731643  0.565029  1
  Al  Al181  1  0.045237  0.989546  0.614057  1
  Al  Al182  1  0.711898  0.989520  0.614066  1
  Al  Al183  1  0.069144  0.508991  0.603501  1
  Al  Al184  1  0.378580  0.989563  0.614047  1
  Al  Al185  1  0.735810  0.508992  0.603507  1
  Al  Al186  1  0.402478  0.508994  0.603510  1
  Al  Al187  1  0.065824  0.840890  0.603943  1
  Al  Al188  1  0.732488  0.840870  0.603955  1
  Al  Al189  1  0.043958  0.327235  0.615614  1
  Al  Al190  1  0.399173  0.840883  0.603933  1
  Al  Al191  1  0.710624  0.327241  0.615615  1
  Al  Al192  1  0.377290  0.327233  0.615618  1
  Al  Al193  1  0.152558  0.238739  0.608876  1
  Al  Al194  1  0.819220  0.238748  0.608875  1
  Al  Al195  1  0.150232  0.710662  0.616701  1
  Al  Al196  1  0.485886  0.238759  0.608872  1
  Al  Al197  1  0.816896  0.710660  0.616704  1
  Al  Al198  1  0.483555  0.710644  0.616703  1
  Al  Al199  1  0.151615  0.905403  0.607219  1
  Al  Al200  1  0.818277  0.905395  0.607218  1
  Al  Al201  1  0.149767  0.375683  0.622986  1
  Al  Al202  1  0.484959  0.905394  0.607220  1
  Al  Al203  1  0.816432  0.375700  0.622993  1
  Al  Al204  1  0.483097  0.375704  0.622995  1
  Al  Al205  1  0.150965  1.040827  0.621829  1
  Al  Al206  1  0.817636  1.040818  0.621830  1
  Al  Al207  1  0.159863  0.566472  0.611568  1
  Al  Al208  1  0.484302  1.040824  0.621828  1
  Al  Al209  1  0.826525  0.566467  0.611576  1
  Al  Al210  1  0.493179  0.566481  0.611580  1
  Al  Al211  1  0.068360  0.174307  0.603496  1
  Al  Al212  1  0.735030  0.174306  0.603494  1
  Al  Al213  1  0.055599  0.661455  0.610256  1
  Al  Al214  1  0.401698  0.174310  0.603500  1
  Al  Al215  1  0.722275  0.661452  0.610261  1
  Al  Al216  1  0.388955  0.661439  0.610264  1
  Al  Al217  1  0.037320  0.903618  0.656875  1
  Al  Al218  1  0.703985  0.903601  0.656891  1
  Al  Al219  1  0.053020  0.431633  0.653548  1
  Al  Al220  1  0.370666  0.903612  0.656853  1
  Al  Al221  1  0.719690  0.431635  0.653549  1
  Al  Al222  1  0.386359  0.431640  0.653549  1
  Al  Al223  1  0.050167  0.760945  0.651986  1
  Al  Al224  1  0.716847  0.760912  0.651994  1
  Al  Al225  1  0.032619  0.231617  0.654364  1
  Al  Al226  1  0.383529  0.760911  0.651978  1
  Al  Al227  1  0.699287  0.231620  0.654360  1
  Al  Al228  1  0.365951  0.231617  0.654367  1
  Al  Al229  1  0.134609  0.153310  0.656955  1
  Al  Al230  1  0.801274  0.153305  0.656952  1
  Al  Al231  1  0.118896  0.633293  0.661528  1
  Al  Al232  1  0.467945  0.153324  0.656948  1
  Al  Al233  1  0.785578  0.633294  0.661529  1
  Al  Al234  1  0.452223  0.633307  0.661516  1
  Al  Al235  1  0.136414  0.813410  0.655378  1
  Al  Al236  1  0.803075  0.813395  0.655384  1
  Al  Al237  1  0.112097  0.295974  0.661971  1
  Al  Al238  1  0.469740  0.813397  0.655373  1
  Al  Al239  1  0.778763  0.295981  0.661970  1
  Al  Al240  1  0.445427  0.295991  0.661970  1
  Al  Al241  1  0.121902  0.955100  0.661476  1
  Al  Al242  1  0.788563  0.955093  0.661474  1
  Al  Al243  1  0.137195  0.488754  0.657953  1
  Al  Al244  1  0.455232  0.955083  0.661475  1
  Al  Al245  1  0.803861  0.488749  0.657970  1
  Al  Al246  1  0.470514  0.488770  0.657968  1
  Al  Al247  1  0.054789  0.087290  0.652535  1
  Al  Al248  1  0.721452  0.087292  0.652530  1
  Al  Al249  1  0.037606  0.574659  0.653097  1
  Al  Al250  1  0.388132  0.087284  0.652538  1
  Al  Al251  1  0.704293  0.574667  0.653103  1
  Al  Al252  1  0.370973  0.574664  0.653101  1
  H  H253  1  0.268700  0.189412  0.300425  1
  H  H254  1  -0.064644  0.189411  0.300422  1
  H  H255  1  0.189179  0.683242  0.314886  1
  H  H256  1  0.602020  0.189417  0.300423  1
  H  H257  1  0.855847  0.683235  0.314887  1
  H  H258  1  0.522508  0.683240  0.314884  1
  H  H259  1  0.357295  0.195761  0.322254  1
  H  H260  1  0.023942  0.195773  0.322250  1
  H  H261  1  0.344547  0.719642  0.315409  1
  H  H262  1  0.690607  0.195776  0.322254  1
  H  H263  1  0.011218  0.719647  0.315408  1
  H  H264  1  0.677885  0.719651  0.315404  1
  H  H265  1  0.177736  0.211521  0.320265  1
  H  H266  1  0.844398  0.211504  0.320276  1
  H  H267  1  0.288282  0.748397  0.316066  1
  H  H268  1  0.511065  0.211514  0.320275  1
  H  H269  1  -0.045045  0.748406  0.316065  1
  H  H270  1  0.621624  0.748395  0.316062  1
  H  H271  1  0.519079  0.397976  0.296568  1
  H  H272  1  0.185757  0.397846  0.296591  1
  H  H273  1  0.621189  0.884874  0.295314  1
  H  H274  1  0.852481  0.397985  0.296550  1
  H  H275  1  0.287842  0.884881  0.295318  1
  H  H276  1  -0.045475  0.884928  0.295308  1
  H  H277  1  0.306507  0.606587  0.310855  1
  H  H278  1  -0.026831  0.606602  0.310853  1
  H  H279  1  0.220391  0.085841  0.296805  1
  H  H280  1  0.639847  0.606586  0.310855  1
  H  H281  1  0.887027  0.085852  0.296806  1
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