# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.20234984
_cell_length_b   15.74721905
_cell_length_c   45.82647175
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.41532497
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al144 H432'
_cell_volume   11669.3794163
_cell_formula_units_Z   144
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  0.108155  0.589588  0.366213  1
  Al  Al2  1  0.608314  0.089453  0.366144  1
  Al  Al3  1  0.631651  0.673343  0.341909  1
  Al  Al4  1  0.131719  0.173346  0.341913  1
  Al  Al5  1  0.093842  0.419166  0.370317  1
  Al  Al6  1  0.593864  0.919246  0.370259  1
  Al  Al7  1  0.588684  0.429987  0.381508  1
  Al  Al8  1  0.088710  0.929991  0.381498  1
  Al  Al9  1  0.220766  0.854314  0.357110  1
  Al  Al10  1  0.720734  0.354327  0.357127  1
  Al  Al11  1  0.726889  0.831248  0.408953  1
  Al  Al12  1  0.226842  0.331272  0.408980  1
  Al  Al13  1  0.226038  0.478130  0.344703  1
  Al  Al14  1  0.726282  0.978080  0.344776  1
  Al  Al15  1  0.707130  0.524074  0.359322  1
  Al  Al16  1  0.207200  1.024074  0.359334  1
  Al  Al17  1  0.234932  0.680175  0.354636  1
  Al  Al18  1  0.734975  0.180192  0.354625  1
  Al  Al19  1  0.744796  0.673250  0.382762  1
  Al  Al20  1  0.244798  0.173292  0.382782  1
  Al  Al21  1  0.100835  0.760217  0.375811  1
  Al  Al22  1  0.600850  0.260123  0.375815  1
  Al  Al23  1  0.710041  0.811390  0.349470  1
  Al  Al24  1  0.210058  0.311418  0.349481  1
  Al  Al25  1  0.075395  0.573174  0.423851  1
  Al  Al26  1  0.575400  1.073217  0.423807  1
  Al  Al27  1  0.577830  0.596410  0.389273  1
  Al  Al28  1  0.077852  0.096359  0.389267  1
  Al  Al29  1  0.072140  0.395077  0.430366  1
  Al  Al30  1  0.572191  0.895084  0.430334  1
  Al  Al31  1  0.567347  0.417192  0.440770  1
  Al  Al32  1  0.067376  0.917159  0.440760  1
  Al  Al33  1  0.209587  0.837361  0.416208  1
  Al  Al34  1  0.709534  0.337371  0.416224  1
  Al  Al35  1  0.686925  0.820307  0.474244  1
  Al  Al36  1  0.186910  0.320314  0.474253  1
  Al  Al37  1  0.221956  0.498465  0.401295  1
  Al  Al38  1  0.721968  0.998460  0.401350  1
  Al  Al39  1  0.706478  0.511413  0.419206  1
  Al  Al40  1  0.206501  1.011394  0.419214  1
  Al  Al41  1  0.216822  0.665822  0.412453  1
  Al  Al42  1  0.716859  0.165845  0.412439  1
  Al  Al43  1  0.694723  0.680718  0.438522  1
  Al  Al44  1  0.194714  0.180679  0.438548  1
  Al  Al45  1  0.068479  0.747196  0.433927  1
  Al  Al46  1  0.568490  0.247219  0.433934  1
  Al  Al47  1  0.584544  0.762216  0.392882  1
  Al  Al48  1  0.084541  0.262122  0.392928  1
  Al  Al49  1  0.046360  0.550691  0.489525  1
  Al  Al50  1  0.546347  1.050717  0.489531  1
  Al  Al51  1  0.563932  0.583463  0.449216  1
  Al  Al52  1  0.063899  0.083431  0.449214  1
  Al  Al53  1  0.030510  0.384496  0.492886  1
  Al  Al54  1  0.530538  0.884531  0.492874  1
  Al  Al55  1  0.531116  0.373112  0.515274  1
  Al  Al56  1  0.031114  0.873112  0.515259  1
  Al  Al57  1  0.159249  0.812895  0.479049  1
  Al  Al58  1  0.659239  0.312908  0.479059  1
  Al  Al59  1  0.639950  0.782100  0.531944  1
  Al  Al60  1  0.139976  0.282070  0.531958  1
  Al  Al61  1  0.185250  0.482467  0.460718  1
  Al  Al62  1  0.685190  0.982477  0.460737  1
  Al  Al63  1  0.643286  0.475761  0.490045  1
  Al  Al64  1  0.143292  0.975753  0.490040  1
  Al  Al65  1  0.171658  0.648561  0.471388  1
  Al  Al66  1  0.671636  0.148573  0.471380  1
  Al  Al67  1  0.643264  0.637783  0.502390  1
  Al  Al68  1  0.143312  0.137800  0.502360  1
  Al  Al69  1  0.040732  0.711296  0.504817  1
  Al  Al70  1  0.540742  0.211309  0.504825  1
  Al  Al71  1  0.546805  0.742904  0.462798  1
  Al  Al72  1  0.046756  0.242896  0.462786  1
  Al  Al73  1  -0.017959  0.513930  0.569016  1
  Al  Al74  1  0.482018  1.013962  0.569024  1
  Al  Al75  1  0.517718  0.535660  0.526447  1
  Al  Al76  1  0.017713  1.035667  0.526443  1
  Al  Al77  1  -0.011669  0.352831  0.553185  1
  Al  Al78  1  0.488332  0.852897  0.553177  1
  Al  Al79  1  0.468005  0.338161  0.587668  1
  Al  Al80  1  -0.031998  0.838141  0.587659  1
  Al  Al81  1  0.109821  0.768344  0.556970  1
  Al  Al82  1  0.609827  0.268348  0.556984  1
  Al  Al83  1  0.592490  0.749632  0.591871  1
  Al  Al84  1  0.092489  0.249611  0.591871  1
  Al  Al85  1  0.125696  0.448134  0.534521  1
  Al  Al86  1  0.625691  0.948157  0.534527  1
  Al  Al87  1  0.596160  0.428959  0.569182  1
  Al  Al88  1  0.096151  0.928960  0.569168  1
  Al  Al89  1  0.114893  0.606444  0.548076  1
  Al  Al90  1  0.614878  0.106459  0.548085  1
  Al  Al91  1  0.587591  0.591786  0.576780  1
  Al  Al92  1  0.087544  0.091802  0.576758  1
  Al  Al93  1  -0.022014  0.677575  0.573769  1
  Al  Al94  1  0.477979  0.177594  0.573787  1
  Al  Al95  1  0.504673  0.697720  0.532477  1
  Al  Al96  1  0.004680  0.197755  0.532386  1
  Al  Al97  1  -0.078104  0.488528  0.644832  1
  Al  Al98  1  0.421886  0.988528  0.644835  1
  Al  Al99  1  0.458108  0.503182  0.599532  1
  Al  Al100  1  -0.041889  1.003166  0.599523  1
  Al  Al101  1  -0.048871  0.344331  0.611765  1
  Al  Al102  1  0.451122  0.844344  0.611761  1
  Al  Al103  1  0.424376  0.317140  0.643860  1
  Al  Al104  1  -0.075638  0.817128  0.643854  1
  Al  Al105  1  0.078596  0.733434  0.619102  1
  Al  Al106  1  0.578599  0.233459  0.619117  1
  Al  Al107  1  0.558199  0.728561  0.654247  1
  Al  Al108  1  0.058208  0.228539  0.654240  1
  Al  Al109  1  0.097005  0.414454  0.597638  1
  Al  Al110  1  0.596987  0.914480  0.597644  1
  Al  Al111  1  0.572219  0.399456  0.635701  1
  Al  Al112  1  0.072206  0.899431  0.635684  1
  Al  Al113  1  0.066251  0.563541  0.620747  1
  Al  Al114  1  0.566236  1.063568  0.620754  1
  Al  Al115  1  0.565690  0.566588  0.641362  1
  Al  Al116  1  0.065688  1.066557  0.641363  1
  Al  Al117  1  -0.073223  0.652160  0.633818  1
  Al  Al118  1  0.426760  0.152168  0.633835  1
  Al  Al119  1  0.452122  0.672146  0.604991  1
  Al  Al120  1  -0.047874  0.172131  0.604990  1
  Al  Al121  1  -0.045800  0.436548  0.700226  1
  Al  Al122  1  0.454197  0.936556  0.700231  1
  Al  Al123  1  0.418163  0.482062  0.658102  1
  Al  Al124  1  -0.081833  0.982049  0.658097  1
  Al  Al125  1  0.897399  0.321677  0.665419  1
  Al  Al126  1  0.397399  0.821690  0.665420  1
  Al  Al127  1  0.400351  0.268825  0.698326  1
  Al  Al128  1  0.900360  0.768828  0.698325  1
  Al  Al129  1  0.044567  0.709154  0.676592  1
  Al  Al130  1  0.544564  0.209163  0.676605  1
  Al  Al131  1  0.478896  0.733804  0.704982  1
  Al  Al132  1  -0.021087  0.233804  0.704976  1
  Al  Al133  1  0.063615  0.392339  0.657785  1
  Al  Al134  1  0.563613  0.892357  0.657789  1
  Al  Al135  1  0.515171  0.377205  0.689890  1
  Al  Al136  1  0.015184  0.877190  0.689880  1
  Al  Al137  1  0.064100  0.543571  0.681471  1
  Al  Al138  1  0.564095  1.043581  0.681478  1
  Al  Al139  1  0.510584  0.554582  0.697270  1
  Al  Al140  1  0.010629  1.054516  0.697274  1
  Al  Al141  1  -0.084873  0.604877  0.691619  1
  Al  Al142  1  0.415120  0.104873  0.691630  1
  Al  Al143  1  0.412213  0.650194  0.661485  1
  Al  Al144  1  0.912243  0.150168  0.661489  1
  H  H145  1  -0.007042  0.354273  0.323760  1
  H  H146  1  0.493061  0.854408  0.323546  1
  H  H147  1  0.648139  0.442677  0.324237  1
  H  H148  1  0.148145  0.942723  0.324245  1
  H  H149  1  0.358169  0.427039  0.329579  1
  H  H150  1  0.858477  0.926884  0.329698  1
  H  H151  1  0.767958  0.534400  0.313923  1
  H  H152  1  0.268028  1.034365  0.313936  1
  H  H153  1  0.002029  0.512115  0.344933  1
  H  H154  1  0.501928  1.012441  0.344965  1
  H  H155  1  0.562302  0.609271  0.306114  1
  H  H156  1  0.062365  0.109237  0.306119  1
  H  H157  1  0.608882  0.700829  0.293205  1
  H  H158  1  0.108904  0.200702  0.293197  1
  H  H159  1  0.046219  0.658417  0.326182  1
  H  H160  1  0.546487  0.158599  0.326174  1
  H  H161  1  0.030319  0.855162  0.342904  1
  H  H162  1  0.530327  0.355109  0.342912  1
  H  H163  1  0.686769  0.889114  0.308100  1
  H  H164  1  0.186920  0.388903  0.307974  1
  H  H165  1  0.148952  0.767673  0.328583  1
  H  H166  1  0.648969  0.267713  0.328586  1
  H  H167  1  0.575465  0.810845  0.334022  1
  H  H168  1  0.075608  0.310847  0.333997  1
  H  H169  1  0.219972  0.884317  0.306507  1
  H  H170  1  0.720027  0.384277  0.306519  1
  H  H171  1  0.827306  0.869137  0.327585  1
  H  H172  1  0.327233  0.369072  0.327622  1
  H  H173  1  0.273394  0.846399  0.310303  1
  H  H174  1  0.773468  0.346390  0.310331  1
  H  H175  1  0.807698  0.778948  0.314232  1
  H  H176  1  0.307667  0.278958  0.314181  1
  H  H177  1  0.177877  0.600008  0.321842  1
  H  H178  1  0.678089  0.099829  0.321858  1
  H  H179  1  0.532059  0.669965  0.305865  1
  H  H180  1  0.032102  0.169923  0.305868  1
  H  H181  1  0.016207  0.694809  0.344072  1
  H  H182  1  0.516232  0.194727  0.344091  1
  H  H183  1  0.666756  0.730424  0.296545  1
  H  H184  1  0.166796  0.230256  0.296523  1
  H  H185  1  0.086499  0.501707  0.326943  1
  H  H186  1  0.584860  1.001625  0.326909  1
  H  H187  1  0.516816  0.524023  0.349242  1
  H  H188  1  0.016838  1.024029  0.349232  1
  H  H189  1  0.354889  0.739830  0.341466  1
  H  H190  1  0.854892  0.240050  0.341574  1
  H  H191  1  0.758637  0.739798  0.307230  1
  H  H192  1  0.258658  0.239727  0.307222  1
  H  H193  1  0.325608  0.575049  0.345789  1
  H  H194  1  0.825731  1.075137  0.345801  1
  H  H195  1  0.714889  0.583938  0.313258  1
  H  H196  1  0.214967  0.083886  0.313267  1
  H  H197  1  0.318726  0.519038  0.309137  1
  H  H198  1  0.818819  1.019086  0.309131  1
  H  H199  1  0.844620  0.478016  0.357349  1
  H  H200  1  0.344798  0.978324  0.357372  1
  H  H201  1  0.313662  0.686381  0.312814  1
  H  H202  1  0.813821  0.186383  0.312842  1
  H  H203  1  0.865424  0.688422  0.357459  1
  H  H204  1  0.365319  0.188714  0.357420  1
  H  H205  1  0.254961  0.679534  0.304743  1
  H  H206  1  0.755151  0.179550  0.304749  1
  H  H207  1  0.834581  0.642071  0.344140  1
  H  H208  1  0.334542  0.142174  0.344149  1
  H  H209  1  0.566388  0.459483  0.331932  1
  H  H210  1  0.066371  0.959433  0.331925  1
  H  H211  1  0.132636  0.444607  0.308013  1
  H  H212  1  0.632252  0.945127  0.308337  1
  H  H213  1  0.264454  0.515322  0.297933  1
  H  H214  1  0.764434  1.015197  0.297974  1
  H  H215  1  0.824268  0.479087  0.333924  1
  H  H216  1  0.324336  0.978970  0.333965  1
  H  H217  1  -0.037589  0.329052  0.386570  1
  H  H218  1  0.462252  0.828934  0.386724  1
  H  H219  1  0.483749  0.352873  0.362787  1
  H  H220  1  -0.016261  0.852881  0.362789  1
  H  H221  1  0.332596  0.414096  0.414183  1
  H  H222  1  0.832622  0.914073  0.414195  1
  H  H223  1  0.815314  0.387865  0.389788  1
  H  H224  1  0.315282  0.888037  0.389750  1
  H  H225  1  -0.021114  0.499939  0.447614  1
  H  H226  1  0.478972  0.999919  0.447605  1
  H  H227  1  0.469001  0.514551  0.377087  1
  H  H228  1  -0.031002  1.014516  0.377057  1
  H  H229  1  0.475744  0.620258  0.355136  1
  H  H230  1  -0.024207  0.120270  0.355131  1
  H  H231  1  -0.037249  0.591619  0.392844  1
  H  H232  1  0.462483  0.091676  0.392910  1
  H  H233  1  -0.034641  0.843126  0.415985  1
  H  H234  1  0.465367  0.343155  0.415985  1
  H  H235  1  0.477566  0.902858  0.337783  1
  H  H236  1  -0.022303  0.403591  0.337692  1
  H  H237  1  -0.026125  0.771619  0.392968  1
  H  H238  1  0.473904  0.271588  0.392972  1
  H  H239  1  0.469216  0.797368  0.422034  1
  H  H240  1  -0.030801  0.297391  0.422028  1
  H  H241  1  0.352029  0.806752  0.347586  1
  H  H242  1  0.851970  0.307146  0.347480  1
  H  H243  1  0.811375  0.821185  0.450327  1
  H  H244  1  0.311377  0.321211  0.450342  1
  H  H245  1  0.327060  0.754589  0.403582  1
  H  H246  1  0.827095  0.254710  0.403606  1
  H  H247  1  0.829853  0.784668  0.373763  1
  H  H248  1  0.329859  0.284741  0.373808  1
  H  H249  1  -0.028213  0.563590  0.363020  1
  H  H250  1  0.471755  1.064077  0.363155  1
  H  H251  1  0.467775  0.648665  0.410873  1
  H  H252  1  -0.032236  0.148574  0.410859  1
  H  H253  1  -0.017817  0.676736  0.403530  1
  H  H254  1  0.482126  0.176832  0.403594  1
  H  H255  1  0.499578  0.696474  0.359476  1
  H  H256  1  -0.000350  0.196473  0.359469  1
  H  H257  1  -0.031906  0.488140  0.410634  1
  H  H258  1  0.468156  0.988124  0.410602  1
  H  H259  1  0.452954  0.507990  0.435769  1
  H  H260  1  -0.047058  1.007923  0.435788  1
  H  H261  1  0.294659  0.702167  0.451411  1
  H  H262  1  0.794644  0.202167  0.451410  1
  H  H263  1  0.842050  0.743833  0.409101  1
  H  H264  1  0.342047  0.243896  0.409099  1
  H  H265  1  0.294888  0.555147  0.437566  1
  H  H266  1  0.794894  1.055191  0.437600  1
  H  H267  1  0.817764  0.546142  0.386454  1
  H  H268  1  0.317788  1.046213  0.386470  1
  H  H269  1  0.334082  0.526459  0.371630  1
  H  H270  1  0.834245  1.026748  0.371744  1
  H  H271  1  0.836819  0.493969  0.433313  1
  H  H272  1  0.336884  0.993974  0.433286  1
  H  H273  1  0.339397  0.684065  0.386491  1
  H  H274  1  0.839399  0.184451  0.386437  1
  H  H275  1  0.832837  0.659834  0.421823  1
  H  H276  1  0.332797  0.159932  0.421870  1
  H  H277  1  0.334560  0.579693  0.404401  1
  H  H278  1  0.834586  0.079666  0.404431  1
  H  H279  1  0.811797  0.581966  0.440285  1
  H  H280  1  0.311806  0.081966  0.440291  1
  H  H281  1  0.467686  0.469032  0.405477  1
  H  H282  1  -0.032266  0.969120  0.405477  1
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  H  H572  1  0.296774  0.807182  0.699914  1
  H  H573  1  0.108459  0.273263  0.701350  1
  H  H574  1  0.608443  0.773284  0.701354  1
  H  H575  1  0.503589  0.294765  0.732057  1
  H  H576  1  0.003626  0.794756  0.732050  1
