# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.93774151
_cell_length_b   19.89928323
_cell_length_c   47.97695121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.19004748
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al192 H576'
_cell_volume   15899.4806652
_cell_formula_units_Z   192
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  0.808809  0.469738  0.314269  1
  Al  Al2  1  0.225037  0.461276  0.325673  1
  Al  Al3  1  0.725052  0.961273  0.325678  1
  Al  Al4  1  0.308858  0.969696  0.314263  1
  Al  Al5  1  0.723013  0.302376  0.332755  1
  Al  Al6  1  0.255147  0.322612  0.320564  1
  Al  Al7  1  0.755159  0.822609  0.320566  1
  Al  Al8  1  0.223007  0.802379  0.332752  1
  Al  Al9  1  0.841998  0.687708  0.335845  1
  Al  Al10  1  0.369124  0.705199  0.334734  1
  Al  Al11  1  0.869131  0.205193  0.334729  1
  Al  Al12  1  0.341987  0.187716  0.335845  1
  Al  Al13  1  0.852698  0.339905  0.337051  1
  Al  Al14  1  0.371539  0.372883  0.323497  1
  Al  Al15  1  0.871552  0.872890  0.323501  1
  Al  Al16  1  0.352688  0.839918  0.337061  1
  Al  Al17  1  0.884659  0.549615  0.331311  1
  Al  Al18  1  0.345297  0.511013  0.326386  1
  Al  Al19  1  0.845311  1.011022  0.326391  1
  Al  Al20  1  0.384643  0.049605  0.331309  1
  Al  Al21  1  0.732947  0.614996  0.328509  1
  Al  Al22  1  0.263811  0.654718  0.319595  1
  Al  Al23  1  0.763805  0.154721  0.319594  1
  Al  Al24  1  0.232948  0.114992  0.328509  1
  Al  Al25  1  0.705768  0.434866  0.346743  1
  Al  Al26  1  0.184068  0.388116  0.369782  1
  Al  Al27  1  0.684076  0.888109  0.369783  1
  Al  Al28  1  0.205754  0.934870  0.346741  1
  Al  Al29  1  0.698653  0.209200  0.370144  1
  Al  Al30  1  0.192448  0.250219  0.353908  1
  Al  Al31  1  0.692448  0.750222  0.353907  1
  Al  Al32  1  0.198682  0.709189  0.370146  1
  Al  Al33  1  0.815331  0.610895  0.380330  1
  Al  Al34  1  0.352767  0.601989  0.365659  1
  Al  Al35  1  0.852723  0.102029  0.365667  1
  Al  Al36  1  0.315326  0.110900  0.380330  1
  Al  Al37  1  0.819092  0.267025  0.383617  1
  Al  Al38  1  0.343758  0.303159  0.366575  1
  Al  Al39  1  0.843766  0.803157  0.366574  1
  Al  Al40  1  0.319096  0.767023  0.383622  1
  Al  Al41  1  0.850523  0.462805  0.366762  1
  Al  Al42  1  0.315774  0.447560  0.376431  1
  Al  Al43  1  0.815781  0.947560  0.376432  1
  Al  Al44  1  0.350520  0.962817  0.366763  1
  Al  Al45  1  0.689875  0.554687  0.371551  1
  Al  Al46  1  0.202104  0.579645  0.353713  1
  Al  Al47  1  0.702112  0.079640  0.353717  1
  Al  Al48  1  0.189875  0.054686  0.371552  1
  Al  Al49  1  0.665947  0.345618  0.391074  1
  Al  Al50  1  0.128676  0.298691  0.427742  1
  Al  Al51  1  0.628679  0.798690  0.427743  1
  Al  Al52  1  0.165952  0.845610  0.391076  1
  Al  Al53  1  0.624292  0.128360  0.429001  1
  Al  Al54  1  0.160945  0.177267  0.398722  1
  Al  Al55  1  0.660946  0.677268  0.398722  1
  Al  Al56  1  0.124297  0.628359  0.429002  1
  Al  Al57  1  0.723752  0.545437  0.426520  1
  Al  Al58  1  0.271865  0.576532  0.407280  1
  Al  Al59  1  0.771861  0.076525  0.407286  1
  Al  Al60  1  0.223749  0.045437  0.426522  1
  Al  Al61  1  0.714822  0.214533  0.425278  1
  Al  Al62  1  0.271810  0.245143  0.403195  1
  Al  Al63  1  0.771813  0.745142  0.403195  1
  Al  Al64  1  0.214825  0.714530  0.425281  1
  Al  Al65  1  0.774599  0.408633  0.401276  1
  Al  Al66  1  0.226613  0.380191  0.424865  1
  Al  Al67  1  0.726617  0.880189  0.424865  1
  Al  Al68  1  0.274596  0.908634  0.401277  1
  Al  Al69  1  0.633422  0.460469  0.426672  1
  Al  Al70  1  0.161916  0.510717  0.397462  1
  Al  Al71  1  0.661916  1.010711  0.397463  1
  Al  Al72  1  0.133420  0.960470  0.426672  1
  Al  Al73  1  0.581165  0.247932  0.457887  1
  Al  Al74  1  0.024563  0.205105  0.484549  1
  Al  Al75  1  0.524564  0.705104  0.484550  1
  Al  Al76  1  0.081164  0.747932  0.457887  1
  Al  Al77  1  0.529127  0.040488  0.483270  1
  Al  Al78  1  0.083655  0.080988  0.456264  1
  Al  Al79  1  0.583658  0.580986  0.456264  1
  Al  Al80  1  0.029126  0.540489  0.483270  1
  Al  Al81  1  0.614775  0.455720  0.482865  1
  Al  Al82  1  0.173034  0.500429  0.455161  1
  Al  Al83  1  0.673034  1.000429  0.455161  1
  Al  Al84  1  0.114776  0.955722  0.482864  1
  Al  Al85  1  0.617445  0.120511  0.485308  1
  Al  Al86  1  0.165305  0.167949  0.455745  1
  Al  Al87  1  0.665306  0.667948  0.455745  1
  Al  Al88  1  0.117446  0.620510  0.485309  1
  Al  Al89  1  0.663948  0.335594  0.453507  1
  Al  Al90  1  0.107792  0.291318  0.482928  1
  Al  Al91  1  0.607792  0.791317  0.482928  1
  Al  Al92  1  0.163948  0.835594  0.453508  1
  Al  Al93  1  0.529558  0.371725  0.484463  1
  Al  Al94  1  0.085336  0.418842  0.456062  1
  Al  Al95  1  0.585337  0.918841  0.456062  1
  Al  Al96  1  0.029559  0.871725  0.484463  1
  Al  Al97  1  0.475979  0.158155  0.514148  1
  Al  Al98  1  0.924454  0.117035  0.541332  1
  Al  Al99  1  0.424455  0.617034  0.541332  1
  Al  Al100  1  -0.024022  0.658156  0.514148  1
  Al  Al101  1  0.419840  0.949105  0.541732  1
  Al  Al102  1  -0.025676  0.995886  0.510438  1
  Al  Al103  1  0.474323  0.495885  0.510438  1
  Al  Al104  1  0.919839  0.449105  0.541732  1
  Al  Al105  1  0.505591  0.366917  0.539099  1
  Al  Al106  1  0.056224  0.413361  0.510106  1
  Al  Al107  1  0.556224  0.913361  0.510106  1
  Al  Al108  1  0.005590  0.866917  0.539099  1
  Al  Al109  1  0.511696  1.030763  0.539676  1
  Al  Al110  1  0.061701  0.078127  0.511658  1
  Al  Al111  1  0.561701  0.578127  0.511658  1
  Al  Al112  1  0.011696  0.530763  0.539675  1
  Al  Al113  1  0.558572  0.245204  0.512321  1
  Al  Al114  1  0.007893  0.201342  0.540594  1
  Al  Al115  1  0.507893  0.701341  0.540594  1
  Al  Al116  1  0.058571  0.745204  0.512321  1
  Al  Al117  1  0.422733  0.276478  0.543837  1
  Al  Al118  1  0.973414  0.326270  0.514449  1
  Al  Al119  1  0.473415  0.826269  0.514449  1
  Al  Al120  1  0.922732  0.776479  0.543837  1
  Al  Al121  1  0.366581  0.077769  0.568552  1
  Al  Al122  1  0.822203  0.039739  0.593733  1
  Al  Al123  1  0.322203  0.539738  0.593734  1
  Al  Al124  1  0.866583  0.577769  0.568552  1
  Al  Al125  1  0.311280  0.894603  0.587974  1
  Al  Al126  1  0.864682  0.906023  0.569848  1
  Al  Al127  1  0.364683  0.406022  0.569849  1
  Al  Al128  1  0.811280  0.394603  0.587974  1
  Al  Al129  1  0.440039  0.282950  0.599341  1
  Al  Al130  1  0.962635  0.320825  0.572382  1
  Al  Al131  1  0.462636  0.820824  0.572383  1
  Al  Al132  1  0.940039  0.782951  0.599341  1
  Al  Al133  1  0.436850  0.946082  0.598941  1
  Al  Al134  1  0.963179  0.986260  0.566650  1
  Al  Al135  1  0.463180  0.486259  0.566650  1
  Al  Al136  1  0.936850  0.446082  0.598941  1
  Al  Al137  1  0.477812  0.144496  0.573251  1
  Al  Al138  1  0.936535  0.105035  0.597221  1
  Al  Al139  1  0.436536  0.605034  0.597222  1
  Al  Al140  1  -0.022187  0.644497  0.573251  1
  Al  Al141  1  0.326263  0.220920  0.585474  1
  Al  Al142  1  0.868144  0.242842  0.573743  1
  Al  Al143  1  0.368144  0.742842  0.573743  1
  Al  Al144  1  0.826263  0.720920  0.585475  1
  Al  Al145  1  0.279386  1.031306  0.608778  1
  Al  Al146  1  0.745614  0.989398  0.629785  1
  Al  Al147  1  0.245614  0.489398  0.629785  1
  Al  Al148  1  0.779386  0.531306  0.608778  1
  Al  Al149  1  0.264329  0.808794  0.620150  1
  Al  Al150  1  0.780470  0.845803  0.616071  1
  Al  Al151  1  0.280470  0.345803  0.616071  1
  Al  Al152  1  0.764329  0.308794  0.620151  1
  Al  Al153  1  0.407892  0.200961  0.637637  1
  Al  Al154  1  0.924795  0.217303  0.627686  1
  Al  Al155  1  0.424795  0.717303  0.627687  1
  Al  Al156  1  0.907892  0.700961  0.637637  1
  Al  Al157  1  0.415653  0.849815  0.635259  1
  Al  Al158  1  0.914214  0.910608  0.623574  1
  Al  Al159  1  0.414214  0.410607  0.623574  1
  Al  Al160  1  0.915653  0.349815  0.635259  1
  Al  Al161  1  0.423343  0.070234  0.622338  1
  Al  Al162  1  0.913261  0.036731  0.642405  1
  Al  Al163  1  0.413261  0.536730  0.642406  1
  Al  Al164  1  0.923343  0.570234  0.622338  1
  Al  Al165  1  0.258014  0.167720  0.624756  1
  Al  Al166  1  0.781710  0.170951  0.615618  1
  Al  Al167  1  0.281711  0.670951  0.615618  1
  Al  Al168  1  0.758014  0.667720  0.624756  1
  Al  Al169  1  0.261908  0.934264  0.646373  1
  Al  Al170  1  0.736500  0.901744  0.668705  1
  Al  Al171  1  0.236499  0.401744  0.668706  1
  Al  Al172  1  0.761908  0.434264  0.646373  1
  Al  Al173  1  0.224880  0.741554  0.663866  1
  Al  Al174  1  0.760957  0.764848  0.662246  1
  Al  Al175  1  0.260957  0.264848  0.662246  1
  Al  Al176  1  0.724881  0.241554  0.663866  1
  Al  Al177  1  0.350074  0.126017  0.670577  1
  Al  Al178  1  0.871677  0.157940  0.670167  1
  Al  Al179  1  0.371677  0.657940  0.670167  1
  Al  Al180  1  0.850074  0.626018  0.670577  1
  Al  Al181  1  0.330576  0.803221  0.670191  1
  Al  Al182  1  0.884081  0.823036  0.662908  1
  Al  Al183  1  0.384081  0.323036  0.662908  1
  Al  Al184  1  0.830577  0.303221  0.670191  1
  Al  Al185  1  0.383114  0.980412  0.657653  1
  Al  Al186  1  0.843263  0.964072  0.673665  1
  Al  Al187  1  0.343262  0.464072  0.673666  1
  Al  Al188  1  0.883114  0.480412  0.657653  1
  Al  Al189  1  0.238984  0.073295  0.662190  1
  Al  Al190  1  0.758523  0.099569  0.660803  1
  Al  Al191  1  0.258523  0.599569  0.660803  1
  Al  Al192  1  0.738984  0.573295  0.662190  1
  H  H193  1  0.706017  0.249856  0.289982  1
  H  H194  1  0.351456  0.239549  0.296662  1
  H  H195  1  0.851463  0.739547  0.296663  1
  H  H196  1  0.206029  0.749861  0.289983  1
  H  H197  1  0.886280  0.369392  0.288839  1
  H  H198  1  0.408717  0.331180  0.279016  1
  H  H199  1  0.908729  0.831180  0.279020  1
  H  H200  1  0.386394  0.869480  0.288804  1
  H  H201  1  0.823731  0.281033  0.298854  1
  H  H202  1  0.206052  0.246574  0.302852  1
  H  H203  1  0.706058  0.746575  0.302853  1
  H  H204  1  0.323736  0.781049  0.298859  1
  H  H205  1  0.256387  0.408549  0.276516  1
  H  H206  1  0.781461  0.483492  0.268995  1
  H  H207  1  0.281433  0.983492  0.268998  1
  H  H208  1  0.756389  0.908569  0.276515  1
  H  H209  1  0.713563  0.621787  0.280630  1
  H  H210  1  0.344476  0.653616  0.281829  1
  H  H211  1  0.844465  0.153610  0.281824  1
  H  H212  1  0.213544  0.121793  0.280629  1
  H  H213  1  0.823981  0.624664  0.296610  1
  H  H214  1  0.269007  0.568685  0.291094  1
  H  H215  1  0.769008  0.068677  0.291096  1
  H  H216  1  0.323975  0.124667  0.296609  1
  H  H217  1  0.044077  0.688478  0.283706  1
  H  H218  1  0.472656  0.666849  0.298353  1
  H  H219  1  0.972652  0.166835  0.298351  1
  H  H220  1  0.544141  0.188522  0.283733  1
  H  H221  1  0.093037  0.677192  0.274506  1
  H  H222  1  0.511815  0.624609  0.288828  1
  H  H223  1  0.011806  0.124601  0.288832  1
  H  H224  1  0.593144  0.177164  0.274522  1
  H  H225  1  0.754795  0.386149  0.301992  1
  H  H226  1  0.311127  0.456284  0.289367  1
  H  H227  1  0.811134  0.956286  0.289370  1
  H  H228  1  0.254814  0.886137  0.302000  1
  H  H229  1  0.824199  0.506532  0.270665  1
  H  H230  1  0.152641  0.533888  0.292669  1
  H  H231  1  0.652642  1.033882  0.292673  1
  H  H232  1  0.324173  1.006545  0.270666  1
  H  H233  1  0.644458  0.383780  0.298728  1
  H  H234  1  0.258216  0.353457  0.275361  1
  H  H235  1  0.758222  0.853433  0.275358  1
  H  H236  1  0.144317  0.883751  0.298718  1
  H  H237  1  0.955714  0.512746  0.289450  1
  H  H238  1  0.417140  0.538133  0.290107  1
  H  H239  1  0.917136  0.038126  0.290102  1
  H  H240  1  0.455710  1.012732  0.289440  1
  H  H241  1  0.001043  0.484686  0.274862  1
  H  H242  1  0.431925  0.482753  0.288266  1
  H  H243  1  0.931899  0.982752  0.288256  1
  H  H244  1  0.501032  0.984702  0.274865  1
  H  H245  1  0.060702  0.455799  0.263468  1
  H  H246  1  0.621145  0.518798  0.259903  1
  H  H247  1  0.121158  1.018785  0.259906  1
  H  H248  1  0.560695  0.955816  0.263464  1
  H  H249  1  -0.002255  0.559496  0.317003  1
  H  H250  1  0.580276  0.570449  0.266955  1
  H  H251  1  0.080268  0.070447  0.266958  1
  H  H252  1  0.497776  0.059477  0.317009  1
  H  H253  1  0.102874  0.430076  0.277879  1
  H  H254  1  0.623528  0.565300  0.251037  1
  H  H255  1  0.123525  0.065304  0.251035  1
  H  H256  1  0.602883  0.930077  0.277881  1
  H  H257  1  0.156456  0.148910  0.288729  1
  H  H258  1  0.784522  0.182436  0.274669  1
  H  H259  1  0.284523  0.682450  0.274673  1
  H  H260  1  0.656463  0.648911  0.288730  1
  H  H261  1  0.962238  0.247811  0.314251  1
  H  H262  1  0.462459  0.330467  0.287060  1
  H  H263  1  0.962472  0.830448  0.287065  1
  H  H264  1  0.462213  0.747832  0.314246  1
  H  H265  1  0.592263  0.184117  0.351127  1
  H  H266  1  0.140771  0.220189  0.315434  1
  H  H267  1  0.640772  0.720189  0.315434  1
  H  H268  1  0.092301  0.684139  0.351090  1
  H  H269  1  0.942217  0.243250  0.363861  1
  H  H270  1  0.428824  0.248816  0.321392  1
  H  H271  1  0.928821  0.748821  0.321401  1
  H  H272  1  0.442225  0.743245  0.363864  1
  H  H273  1  0.650480  0.253806  0.305272  1
  H  H274  1  0.074186  0.246931  0.364268  1
  H  H275  1  0.574188  0.746929  0.364267  1
  H  H276  1  0.150484  0.753775  0.305271  1
  H  H277  1  0.094366  0.399509  0.332036  1
  H  H278  1  0.613283  0.430099  0.310832  1
  H  H279  1  0.113243  0.930170  0.310795  1
  H  H280  1  0.594372  0.899501  0.332034  1
  H  H281  1  0.604741  0.615195  0.333367  1
  H  H282  1  0.135383  0.571769  0.310512  1
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  H  H768  1  0.790279  0.237300  0.702846  1
