# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.74219328
_cell_length_b   16.21561604
_cell_length_c   35.85098336
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al72 H216'
_cell_volume   6244.92873757
_cell_formula_units_Z   72
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  0.075347  0.129988  0.529006  1
  Al  Al2  1  0.052586  0.633561  0.516728  1
  Al  Al3  1  0.085906  0.969519  0.519862  1
  Al  Al4  1  0.044620  0.459832  0.521329  1
  Al  Al5  1  0.260511  0.385018  0.519032  1
  Al  Al6  1  0.287266  0.875822  0.525432  1
  Al  Al7  1  0.292755  1.052030  0.519997  1
  Al  Al8  1  0.256416  0.547988  0.525813  1
  Al  Al9  1  0.279762  0.221323  0.518982  1
  Al  Al10  1  0.268239  0.710761  0.528119  1
  Al  Al11  1  0.060414  0.294037  0.527990  1
  Al  Al12  1  0.070013  0.804308  0.516023  1
  Al  Al13  1  0.060965  1.045665  0.593742  1
  Al  Al14  1  0.036847  0.546050  0.583296  1
  Al  Al15  1  0.066193  0.885051  0.583080  1
  Al  Al16  1  0.039391  0.377601  0.591532  1
  Al  Al17  1  0.287557  0.301580  0.585628  1
  Al  Al18  1  0.284054  0.795504  0.594975  1
  Al  Al19  1  0.307491  0.963783  0.585827  1
  Al  Al20  1  0.272320  0.463646  0.590059  1
  Al  Al21  1  0.296718  0.134013  0.583600  1
  Al  Al22  1  0.269370  0.627909  0.595208  1
  Al  Al23  1  0.057423  0.211271  0.595514  1
  Al  Al24  1  0.039348  0.717577  0.579732  1
  Al  Al25  1  0.043057  0.957497  0.660196  1
  Al  Al26  1  0.050985  0.463004  0.654881  1
  Al  Al27  1  0.055405  0.796701  0.647900  1
  Al  Al28  1  0.057608  0.293367  0.663689  1
  Al  Al29  1  0.278244  0.210255  0.651863  1
  Al  Al30  1  0.273971  0.709042  0.665702  1
  Al  Al31  1  0.275962  0.879135  0.664249  1
  Al  Al32  1  0.281239  0.377693  0.657906  1
  Al  Al33  1  0.269832  1.042448  0.649190  1
  Al  Al34  1  0.270751  0.543071  0.666620  1
  Al  Al35  1  0.048272  0.124502  0.665969  1
  Al  Al36  1  0.047054  0.630985  0.648431  1
  Al  Al37  1  0.039639  1.010593  0.733014  1
  Al  Al38  1  0.064509  0.505583  0.726796  1
  Al  Al39  1  0.054843  0.844561  0.723963  1
  Al  Al40  1  0.063185  0.340418  0.736290  1
  Al  Al41  1  0.288908  0.259417  0.725706  1
  Al  Al42  1  0.280133  0.759827  0.738633  1
  Al  Al43  1  0.272634  0.929117  0.737376  1
  Al  Al44  1  0.293771  0.424731  0.731901  1
  Al  Al45  1  0.271418  0.092452  0.721221  1
  Al  Al46  1  0.290875  0.589135  0.742078  1
  Al  Al47  1  0.055402  0.176187  0.737603  1
  Al  Al48  1  0.068716  0.675746  0.721760  1
  Al  Al49  1  0.067101  0.921924  0.799292  1
  Al  Al50  1  0.040686  0.422767  0.800059  1
  Al  Al51  1  0.062265  0.758200  0.795146  1
  Al  Al52  1  0.043113  0.251766  0.805268  1
  Al  Al53  1  0.289784  0.172163  0.793850  1
  Al  Al54  1  0.293977  0.670913  0.808407  1
  Al  Al55  1  0.300616  0.840559  0.804928  1
  Al  Al56  1  0.277101  0.338406  0.798913  1
  Al  Al57  1  0.306129  1.009079  0.802230  1
  Al  Al58  1  0.282334  0.500375  0.807586  1
  Al  Al59  1  0.067935  0.086081  0.804144  1
  Al  Al60  1  0.065157  0.591812  0.792973  1
  Al  Al61  1  0.078262  0.838870  0.864683  1
  Al  Al62  1  0.036720  0.337445  0.867593  1
  Al  Al63  1  0.068221  0.674650  0.861378  1
  Al  Al64  1  0.054862  0.166299  0.871499  1
  Al  Al65  1  0.277407  0.092691  0.865261  1
  Al  Al66  1  0.264849  0.583213  0.873613  1
  Al  Al67  1  0.286729  0.754623  0.871221  1
  Al  Al68  1  0.254780  0.255140  0.862487  1
  Al  Al69  1  0.288698  0.924859  0.868687  1
  Al  Al70  1  0.246054  0.417854  0.871549  1
  Al  Al71  1  0.071147  1.002121  0.868844  1
  Al  Al72  1  0.045637  0.510820  0.861331  1
  H  H73  1  -0.050321  0.939290  0.471339  1
  H  H74  1  0.133497  0.411745  0.467337  1
  H  H75  1  0.269466  1.027306  0.458238  1
  H  H76  1  0.421593  0.464507  0.537047  1
  H  H77  1  -0.090742  0.938582  0.544252  1
  H  H78  1  0.011514  0.542252  0.475562  1
  H  H79  1  -0.157977  0.085886  0.483146  1
  H  H80  1  -0.176535  0.708042  0.466602  1
  H  H81  1  -0.187412  0.353162  0.502798  1
  H  H82  1  -0.089055  0.857349  0.479448  1
  H  H83  1  0.038066  0.362044  0.473807  1
  H  H84  1  -0.114817  0.788382  0.543805  1
  H  H85  1  0.388623  0.313233  0.480798  1
  H  H86  1  0.170721  0.887171  0.473522  1
  H  H87  1  0.294855  0.301236  0.466195  1
  H  H88  1  0.432031  0.849856  0.483931  1
  H  H89  1  0.113588  0.210007  0.478548  1
  H  H90  1  -0.065102  0.693587  0.468989  1
  H  H91  1  -0.128911  0.128791  0.463704  1
  H  H92  1  -0.124261  0.713064  0.442736  1
  H  H93  1  -0.043643  0.092742  0.477595  1
  H  H94  1  -0.116287  0.552222  0.535449  1
  H  H95  1  0.386823  0.145827  0.486429  1
  H  H96  1  0.166332  0.728993  0.472246  1
  H  H97  1  0.468162  0.094360  0.549713  1
  H  H98  1  0.210216  0.629481  0.474911  1
  H  H99  1  0.554710  0.131292  0.431281  1
  H  H100  1  0.434848  0.594410  0.496542  1
  H  H101  1  0.556407  0.195618  0.436383  1
  H  H102  1  0.389260  0.789218  0.485161  1
  H  H103  1  0.624034  0.156825  0.448673  1
  H  H104  1  0.430589  0.658556  0.491651  1
  H  H105  1  -0.145181  0.912687  0.471852  1
  H  H106  1  0.752457  0.404726  0.504147  1
  H  H107  1  0.353872  0.995592  0.466118  1
  H  H108  1  0.289867  0.476025  0.475683  1
  H  H109  1  0.682966  0.874076  0.553485  1
  H  H110  1  -0.153325  0.425339  0.494332  1
  H  H111  1  0.444950  0.965131  0.534006  1
  H  H112  1  0.440132  0.385984  0.611274  1
  H  H113  1  -0.111624  0.845240  0.610001  1
  H  H114  1  -0.116371  0.450356  0.563107  1
  H  H115  1  -0.162001  0.085187  0.561847  1
  H  H116  1  -0.153416  0.634984  0.530751  1
  H  H117  1  0.663049  0.331527  0.567552  1
  H  H118  1  0.668776  0.856740  0.525308  1
  H  H119  1  -0.105642  0.286400  0.567543  1
  H  H120  1  -0.111960  0.719908  0.624781  1
  H  H121  1  0.464012  0.224944  0.577276  1
  H  H122  1  0.451385  0.815789  0.555068  1
  H  H123  1  0.547281  0.246514  0.513373  1
  H  H124  1  0.573717  0.677125  0.568304  1
  H  H125  1  -0.091555  0.211191  0.523800  1
  H  H126  1  -0.120722  0.632806  0.603122  1
  H  H127  1  -0.176204  0.133430  0.580041  1
  H  H128  1  -0.152342  0.709851  0.545136  1
  H  H129  1  -0.107580  0.956603  0.599572  1
  H  H130  1  -0.134103  0.415256  0.629857  1
  H  H131  1  0.458744  0.192115  0.615166  1
  H  H132  1  0.438706  0.669979  0.560762  1
  H  H133  1  0.461802  1.034417  0.618342  1
  H  H134  1  0.449284  0.540142  0.596527  1
  H  H135  1  0.589139  0.096417  0.533628  1
  H  H136  1  0.567349  0.528971  0.585945  1
  H  H137  1  0.619600  0.209537  0.518923  1
  H  H138  1  0.649076  0.643753  0.576819  1
  H  H139  1  0.647345  0.139688  0.522710  1
  H  H140  1  0.631860  0.573556  0.578629  1
  H  H141  1  0.674103  0.919787  0.532609  1
  H  H142  1  0.673057  0.378385  0.588278  1
  H  H143  1  0.467992  0.870642  0.589931  1
  H  H144  1  0.438809  0.363121  0.547171  1
  H  H145  1  0.679870  0.778716  0.642444  1
  H  H146  1  0.662806  0.315197  0.596379  1
  H  H147  1  0.445797  0.914641  0.630731  1
  H  H148  1  0.454774  0.376183  0.694319  1
  H  H149  1  -0.105967  0.787195  0.689457  1
  H  H150  1  -0.121255  0.331018  0.633394  1
  H  H151  1  0.779299  0.947267  0.665229  1
  H  H152  1  -0.196845  0.498726  0.627708  1
  H  H153  1  0.677712  0.264018  0.671338  1
  H  H154  1  0.665439  0.786571  0.613238  1
  H  H155  1  -0.100430  0.212232  0.637802  1
  H  H156  1  -0.108612  0.683880  0.688670  1
  H  H157  1  0.449615  0.216507  0.687762  1
  H  H158  1  0.442892  0.735130  0.626793  1
  H  H159  1  0.667840  0.175006  0.653158  1
  H  H160  1  0.662636  0.660238  0.688412  1
  H  H161  1  -0.104948  1.055655  0.637142  1
  H  H162  1  -0.086274  0.585847  0.696682  1
  H  H163  1  0.783179  1.008819  0.660711  1
  H  H164  1  -0.185053  0.563882  0.628713  1
  H  H165  1  -0.124001  0.868943  0.661213  1
  H  H166  1  -0.083965  0.412349  0.700733  1
  H  H167  1  0.427744  0.124721  0.677669  1
  H  H168  1  0.427131  0.627343  0.638566  1
  H  H169  1  0.406005  0.987080  0.693679  1
  H  H170  1  0.452903  0.473819  0.662609  1
  H  H171  1  0.587966  1.014391  0.598192  1
  H  H172  1  0.572945  0.487213  0.656255  1
  H  H173  1  0.656716  0.128802  0.636378  1
  H  H174  1  0.643629  0.612910  0.672523  1
  H  H175  1  0.615992  0.064389  0.612134  1
  H  H176  1  0.607227  0.543518  0.663863  1
  H  H177  1  0.655446  0.837913  0.631819  1
  H  H178  1  0.667748  0.330739  0.668948  1
  H  H179  1  0.448153  0.791053  0.667761  1
  H  H180  1  0.443703  0.302021  0.635442  1
  H  H181  1  0.664902  0.779454  0.738350  1
  H  H182  1  0.672366  0.304489  0.695630  1
  H  H183  1  0.443372  0.875533  0.703478  1
  H  H184  1  0.461853  0.358049  0.767180  1
  H  H185  1  -0.107206  0.783102  0.758044  1
  H  H186  1  -0.102767  0.281538  0.703962  1
  H  H187  1  0.765545  0.948941  0.738030  1
  H  H188  1  0.785597  0.454071  0.697277  1
  H  H189  1  0.711127  0.241880  0.788339  1
  H  H190  1  0.678103  0.744736  0.712767  1
  H  H191  1  -0.124222  0.178952  0.699337  1
  H  H192  1  -0.086961  0.673711  0.766207  1
  H  H193  1  0.453198  0.197541  0.756795  1
  H  H194  1  0.447050  0.720500  0.701115  1
  H  H195  1  0.600216  0.170496  0.734030  1
  H  H196  1  0.624702  0.627804  0.758316  1
  H  H197  1  -0.111410  0.096344  0.710237  1
  H  H198  1  -0.095672  0.516444  0.769049  1
  H  H199  1  -0.189829  1.006003  0.742759  1
  H  H200  1  -0.195821  0.513571  0.702065  1
  H  H201  1  -0.129150  0.920075  0.727385  1
  H  H202  1  -0.129418  0.363954  0.768585  1
  H  H203  1  0.432576  0.081088  0.760776  1
  H  H204  1  0.425267  0.622473  0.695134  1
  H  H205  1  0.454918  0.926697  0.773374  1
  H  H206  1  0.474216  0.502476  0.733768  1
  H  H207  1  0.567140  1.008007  0.699113  1
  H  H208  1  0.572764  0.493657  0.734003  1
  H  H209  1  0.641138  0.121781  0.723346  1
  H  H210  1  0.711658  0.601055  0.756921  1
  H  H211  1  0.613471  1.056036  0.708722  1
  H  H212  1  0.631765  0.561921  0.746322  1
  H  H213  1  0.667051  0.811574  0.712991  1
  H  H214  1  0.635775  0.268343  0.794165  1
  H  H215  1  0.450368  0.844731  0.744957  1
  H  H216  1  0.472360  0.339495  0.729354  1
  H  H217  1  0.723929  0.727374  0.805008  1
  H  H218  1  -0.106909  0.259759  0.759640  1
  H  H219  1  0.462930  0.751048  0.800912  1
  H  H220  1  0.414958  0.340502  0.852891  1
  H  H221  1  -0.083071  0.762919  0.846077  1
  H  H222  1  -0.138549  0.295689  0.835487  1
  H  H223  1  0.770044  0.914612  0.844852  1
  H  H224  1  0.750643  0.390834  0.762517  1
  H  H225  1  0.646615  0.158791  0.883418  1
  H  H226  1  0.696722  0.707461  0.832299  1
  H  H227  1  -0.102565  0.152899  0.780827  1
  H  H228  1  -0.095850  0.605574  0.832745  1
  H  H229  1  0.450001  0.105597  0.827457  1
  H  H230  1  0.444608  0.684606  0.762157  1
  H  H231  1  0.596849  0.111521  0.812814  1
  H  H232  1  0.570484  0.586244  0.856841  1
  H  H233  1  -0.097781  1.004567  0.786974  1
  H  H234  1  -0.121539  0.459554  0.835182  1
  H  H235  1  0.778747  0.956534  0.864609  1
  H  H236  1  0.776087  0.447532  0.770954  1
  H  H237  1  -0.109170  0.843693  0.788595  1
  H  H238  1  -0.169738  0.328873  0.864001  1
  H  H239  1  0.447492  1.010810  0.850485  1
  H  H240  1  0.445647  0.578022  0.793001  1
  H  H241  1  0.460052  0.879416  0.840538  1
  H  H242  1  0.459687  0.421698  0.796959  1
  H  H243  1  0.574235  0.966705  0.788530  1
  H  H244  1  0.581586  0.449420  0.815114  1
  H  H245  1  0.670693  0.083393  0.801223  1
  H  H246  1  0.637486  0.548077  0.848027  1
  H  H247  1  0.629547  1.016274  0.795372  1
  H  H248  1  0.637445  0.486169  0.830395  1
  H  H249  1  0.685643  0.770482  0.824570  1
  H  H250  1  0.641424  0.219170  0.872363  1
  H  H251  1  0.501078  0.741028  0.872879  1
  H  H252  1  0.432145  0.256540  0.823928  1
  H  H253  1  0.074293  0.750053  0.915217  1
  H  H254  1  0.722981  0.182368  0.867493  1
  H  H255  1  0.475683  0.776669  0.896341  1
  H  H256  1  0.209485  0.172415  0.913973  1
  H  H257  1  0.131663  0.677865  0.921742  1
  H  H258  1  -0.070609  0.241442  0.908438  1
  H  H259  1  -0.085122  0.857397  0.909149  1
  H  H260  1  -0.131044  0.388483  0.896867  1
  H  H261  1  0.016535  0.075460  0.920933  1
  H  H262  1  -0.058787  0.593298  0.903258  1
  H  H263  1  -0.093807  0.085903  0.847027  1
  H  H264  1  0.149867  0.509102  0.915133  1
  H  H265  1  0.224141  1.012332  0.914273  1
  H  H266  1  0.439353  0.649971  0.856088  1
  H  H267  1  0.428054  0.105318  0.910796  1
  H  H268  1  0.371769  0.538799  0.926341  1
  H  H269  1  -0.091564  0.923823  0.847969  1
  H  H270  1  0.155155  0.350788  0.919976  1
  H  H271  1  -0.084157  0.915407  0.922312  1
  H  H272  1  -0.055004  0.432263  0.906589  1
  H  H273  1  0.038216  0.913296  0.917724  1
  H  H274  1  0.007103  0.229467  0.927315  1
  H  H275  1  0.327071  0.878593  0.926898  1
  H  H276  1  0.414397  0.492416  0.859504  1
  H  H277  1  0.273206  0.821847  0.928720  1
  H  H278  1  0.284526  0.324662  0.915379  1
  H  H279  1  0.548906  0.922364  0.902334  1
  H  H280  1  0.546307  0.373861  0.903894  1
  H  H281  1  0.457453  1.047274  0.919715  1
  H  H282  1  0.378107  0.475880  0.929679  1
  H  H283  1  0.523303  0.970502  0.916702  1
  H  H284  1  0.490238  0.406378  0.918532  1
  H  H285  1  -0.099760  0.653040  0.898563  1
  H  H286  1  -0.073633  0.076629  0.903237  1
  H  H287  1  0.313576  0.669604  0.916460  1
  H  H288  1  0.406973  0.187154  0.887610  1
