# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.64573155
_cell_length_b   24.29687696
_cell_length_c   49.98758393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.58140759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al252 H756'
_cell_volume   19999.1029708
_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  0.939022  0.775676  0.300003  1
  Al  Al2  1  0.439022  0.775677  0.300003  1
  Al  Al3  1  0.832272  0.104912  0.325076  1
  Al  Al4  1  0.828743  0.431273  0.314474  1
  Al  Al5  1  0.332273  0.104911  0.325076  1
  Al  Al6  1  0.328743  0.431273  0.314474  1
  Al  Al7  1  0.814426  0.647241  0.333676  1
  Al  Al8  1  0.314426  0.647242  0.333676  1
  Al  Al9  1  0.843807  0.990525  0.315599  1
  Al  Al10  1  0.829454  0.322905  0.313428  1
  Al  Al11  1  0.343813  0.990523  0.315599  1
  Al  Al12  1  0.329454  0.322904  0.313428  1
  Al  Al13  1  -0.010475  0.937428  0.305674  1
  Al  Al14  1  0.489537  0.937423  0.305671  1
  Al  Al15  1  -0.052593  0.246685  0.354250  1
  Al  Al16  1  -0.049354  0.588066  0.311512  1
  Al  Al17  1  0.447407  0.246685  0.354250  1
  Al  Al18  1  0.450646  0.588066  0.311512  1
  Al  Al19  1  -0.039396  0.687253  0.329453  1
  Al  Al20  1  0.460605  0.687253  0.329453  1
  Al  Al21  1  -0.029041  1.044625  0.309665  1
  Al  Al22  1  -0.042724  0.366092  0.293006  1
  Al  Al23  1  0.470961  1.044622  0.309665  1
  Al  Al24  1  0.457276  0.366092  0.293006  1
  Al  Al25  1  -0.039758  0.799291  0.349530  1
  Al  Al26  1  0.460242  0.799292  0.349530  1
  Al  Al27  1  -0.032510  0.152208  0.317242  1
  Al  Al28  1  -0.035419  0.473665  0.305921  1
  Al  Al29  1  0.467490  0.152207  0.317242  1
  Al  Al30  1  0.464581  0.473665  0.305921  1
  Al  Al31  1  0.875563  0.876394  0.311555  1
  Al  Al32  1  0.375566  0.876393  0.311554  1
  Al  Al33  1  -0.033770  0.257929  0.302687  1
  Al  Al34  1  0.826808  0.537790  0.322864  1
  Al  Al35  1  0.466230  0.257929  0.302687  1
  Al  Al36  1  0.326808  0.537790  0.322864  1
  Al  Al37  1  0.820460  0.755252  0.332730  1
  Al  Al38  1  0.320460  0.755253  0.332730  1
  Al  Al39  1  0.784077  0.071182  0.373008  1
  Al  Al40  1  0.799709  0.394413  0.362737  1
  Al  Al41  1  0.284077  0.071182  0.373008  1
  Al  Al42  1  0.299709  0.394413  0.362737  1
  Al  Al43  1  0.775942  0.617507  0.384728  1
  Al  Al44  1  0.275942  0.617507  0.384728  1
  Al  Al45  1  0.794463  0.961694  0.363491  1
  Al  Al46  1  0.784891  0.281508  0.362983  1
  Al  Al47  1  0.294464  0.961694  0.363491  1
  Al  Al48  1  0.284891  0.281508  0.362983  1
  Al  Al49  1  -0.047993  0.910105  0.355446  1
  Al  Al50  1  0.452008  0.910106  0.355445  1
  Al  Al51  1  0.891069  0.218331  0.403231  1
  Al  Al52  1  0.926331  0.570993  0.364604  1
  Al  Al53  1  0.391069  0.218331  0.403231  1
  Al  Al54  1  0.426331  0.570993  0.364604  1
  Al  Al55  1  0.904947  0.678529  0.378438  1
  Al  Al56  1  0.404947  0.678529  0.378438  1
  Al  Al57  1  0.937058  1.021168  0.359859  1
  Al  Al58  1  -0.042415  0.354986  0.344977  1
  Al  Al59  1  0.437058  1.021169  0.359859  1
  Al  Al60  1  0.457585  0.354986  0.344977  1
  Al  Al61  1  0.889704  0.781108  0.395958  1
  Al  Al62  1  0.389704  0.781108  0.395958  1
  Al  Al63  1  0.922646  0.132623  0.368897  1
  Al  Al64  1  0.937627  0.462223  0.357957  1
  Al  Al65  1  0.422646  0.132623  0.368897  1
  Al  Al66  1  0.437627  0.462223  0.357957  1
  Al  Al67  1  0.801412  0.851515  0.357779  1
  Al  Al68  1  0.301413  0.851515  0.357779  1
  Al  Al69  1  0.828124  0.214522  0.322039  1
  Al  Al70  1  0.787619  0.508937  0.373803  1
  Al  Al71  1  0.328125  0.214521  0.322039  1
  Al  Al72  1  0.287619  0.508937  0.373803  1
  Al  Al73  1  0.758243  0.724895  0.397010  1
  Al  Al74  1  0.258243  0.724895  0.397010  1
  Al  Al75  1  0.699108  1.031322  0.446457  1
  Al  Al76  1  0.733101  0.373987  0.426711  1
  Al  Al77  1  0.199108  1.031322  0.446457  1
  Al  Al78  1  0.233101  0.373987  0.426711  1
  Al  Al79  1  0.686680  0.580141  0.453994  1
  Al  Al80  1  0.186680  0.580141  0.453994  1
  Al  Al81  1  0.727100  0.929386  0.430362  1
  Al  Al82  1  0.736121  0.268456  0.415207  1
  Al  Al83  1  0.227100  0.929386  0.430362  1
  Al  Al84  1  0.236121  0.268456  0.415207  1
  Al  Al85  1  0.870529  0.889956  0.403422  1
  Al  Al86  1  0.370529  0.889956  0.403421  1
  Al  Al87  1  0.798446  0.191544  0.451862  1
  Al  Al88  1  0.825754  0.540880  0.424403  1
  Al  Al89  1  0.298446  0.191544  0.451862  1
  Al  Al90  1  0.325754  0.540880  0.424403  1
  Al  Al91  1  0.795724  0.645195  0.437369  1
  Al  Al92  1  0.295724  0.645195  0.437369  1
  Al  Al93  1  0.835555  0.996080  0.413988  1
  Al  Al94  1  0.879325  0.328190  0.399897  1
  Al  Al95  1  0.335555  0.996080  0.413987  1
  Al  Al96  1  0.379325  0.328190  0.399897  1
  Al  Al97  1  0.776138  0.747880  0.452030  1
  Al  Al98  1  0.276138  0.747880  0.452030  1
  Al  Al99  1  0.805158  0.100078  0.425981  1
  Al  Al100  1  0.851717  0.435676  0.411522  1
  Al  Al101  1  0.305158  0.100078  0.425981  1
  Al  Al102  1  0.351717  0.435676  0.411522  1
  Al  Al103  1  0.743945  0.827744  0.413742  1
  Al  Al104  1  0.243944  0.827744  0.413742  1
  Al  Al105  1  0.764421  0.177119  0.384492  1
  Al  Al106  1  0.710988  0.477963  0.439580  1
  Al  Al107  1  0.264421  0.177119  0.384492  1
  Al  Al108  1  0.210988  0.477963  0.439580  1
  Al  Al109  1  0.664137  0.683218  0.469583  1
  Al  Al110  1  0.164137  0.683218  0.469582  1
  Al  Al111  1  0.594641  0.993936  0.509820  1
  Al  Al112  1  0.629320  0.338099  0.491039  1
  Al  Al113  1  0.094641  0.993936  0.509820  1
  Al  Al114  1  0.129320  0.338099  0.491039  1
  Al  Al115  1  0.576918  0.543753  0.516710  1
  Al  Al116  1  0.076918  0.543753  0.516710  1
  Al  Al117  1  0.609630  0.889425  0.496752  1
  Al  Al118  1  0.651674  0.234109  0.477915  1
  Al  Al119  1  0.109630  0.889425  0.496752  1
  Al  Al120  1  0.151674  0.234109  0.477915  1
  Al  Al121  1  0.748349  0.849548  0.468101  1
  Al  Al122  1  0.248349  0.849549  0.468101  1
  Al  Al123  1  0.691750  0.157312  0.515502  1
  Al  Al124  1  0.721997  0.502496  0.492793  1
  Al  Al125  1  0.191750  0.157312  0.515502  1
  Al  Al126  1  0.221997  0.502496  0.492793  1
  Al  Al127  1  0.697711  0.604597  0.507886  1
  Al  Al128  1  0.197711  0.604597  0.507886  1
  Al  Al129  1  0.730183  0.951384  0.484073  1
  Al  Al130  1  0.771381  0.295311  0.465836  1
  Al  Al131  1  0.230183  0.951384  0.484073  1
  Al  Al132  1  0.271381  0.295311  0.465836  1
  Al  Al133  1  0.676041  0.708707  0.523298  1
  Al  Al134  1  0.176040  0.708707  0.523298  1
  Al  Al135  1  0.713201  1.055462  0.499030  1
  Al  Al136  1  0.746058  0.399939  0.479897  1
  Al  Al137  1  0.213201  1.055462  0.499030  1
  Al  Al138  1  0.246058  0.399939  0.479897  1
  Al  Al139  1  0.642390  0.785491  0.484700  1
  Al  Al140  1  0.142390  0.785492  0.484700  1
  Al  Al141  1  0.677453  0.133444  0.460984  1
  Al  Al142  1  0.601712  0.441226  0.504355  1
  Al  Al143  1  0.177453  0.133444  0.460984  1
  Al  Al144  1  0.101712  0.441226  0.504355  1
  Al  Al145  1  0.553202  0.649483  0.528481  1
  Al  Al146  1  0.053202  0.649483  0.528481  1
  Al  Al147  1  0.472585  0.956258  0.579566  1
  Al  Al148  1  0.518945  0.298549  0.558989  1
  Al  Al149  1  -0.027415  0.956258  0.579567  1
  Al  Al150  1  0.018945  0.298549  0.558989  1
  Al  Al151  1  0.467224  0.509964  0.583229  1
  Al  Al152  1  -0.032776  0.509964  0.583229  1
  Al  Al153  1  0.495356  0.851653  0.563937  1
  Al  Al154  1  0.546705  0.195460  0.543295  1
  Al  Al155  1  -0.004643  0.851653  0.563937  1
  Al  Al156  1  0.046705  0.195460  0.543295  1
  Al  Al157  1  0.641315  0.812032  0.537650  1
  Al  Al158  1  0.141315  0.812032  0.537650  1
  Al  Al159  1  0.591176  0.118422  0.582130  1
  Al  Al160  1  0.618086  0.467909  0.557824  1
  Al  Al161  1  0.091176  0.118422  0.582131  1
  Al  Al162  1  0.118085  0.467909  0.557824  1
  Al  Al163  1  0.580244  0.572213  0.569917  1
  Al  Al164  1  0.080244  0.572213  0.569917  1
  Al  Al165  1  0.612689  0.915911  0.549573  1
  Al  Al166  1  0.661501  0.259623  0.531172  1
  Al  Al167  1  0.112689  0.915911  0.549573  1
  Al  Al168  1  0.161501  0.259623  0.531172  1
  Al  Al169  1  0.592938  0.674026  0.580376  1
  Al  Al170  1  0.092938  0.674025  0.580376  1
  Al  Al171  1  0.597532  1.016191  0.566386  1
  Al  Al172  1  0.638940  0.363588  0.544316  1
  Al  Al173  1  0.097532  1.016191  0.566386  1
  Al  Al174  1  0.138940  0.363588  0.544316  1
  Al  Al175  1  0.521631  0.751015  0.545981  1
  Al  Al176  1  0.021631  0.751014  0.545981  1
  Al  Al177  1  0.574517  0.094910  0.526626  1
  Al  Al178  1  0.498668  0.405993  0.568031  1
  Al  Al179  1  0.074517  0.094910  0.526626  1
  Al  Al180  1  -0.001332  0.405993  0.568031  1
  Al  Al181  1  0.440161  0.615607  0.600374  1
  Al  Al182  1  -0.059839  0.615607  0.600374  1
  Al  Al183  1  0.395799  0.933128  0.627491  1
  Al  Al184  1  0.426992  0.276015  0.616937  1
  Al  Al185  1  0.895799  0.933128  0.627492  1
  Al  Al186  1  0.926992  0.276015  0.616937  1
  Al  Al187  1  0.398680  0.492209  0.630880  1
  Al  Al188  1  0.898680  0.492209  0.630880  1
  Al  Al189  1  0.412635  0.825251  0.620240  1
  Al  Al190  1  0.443688  0.172211  0.598225  1
  Al  Al191  1  0.912635  0.825251  0.620240  1
  Al  Al192  1  -0.056312  0.172211  0.598225  1
  Al  Al193  1  0.574311  0.775720  0.599331  1
  Al  Al194  1  0.074310  0.775719  0.599331  1
  Al  Al195  1  0.530278  0.087962  0.642465  1
  Al  Al196  1  0.559305  0.441338  0.620053  1
  Al  Al197  1  0.030278  0.087962  0.642465  1
  Al  Al198  1  0.059305  0.441338  0.620053  1
  Al  Al199  1  0.551010  0.549056  0.632450  1
  Al  Al200  1  0.051010  0.549056  0.632450  1
  Al  Al201  1  0.554144  0.879366  0.614493  1
  Al  Al202  1  0.582905  0.223064  0.596800  1
  Al  Al203  1  0.054144  0.879366  0.614493  1
  Al  Al204  1  0.082905  0.223064  0.596800  1
  Al  Al205  1  0.555390  0.656828  0.632697  1
  Al  Al206  1  0.055390  0.656828  0.632697  1
  Al  Al207  1  0.546512  0.984789  0.626793  1
  Al  Al208  1  0.572349  0.331569  0.607418  1
  Al  Al209  1  0.046512  0.984789  0.626793  1
  Al  Al210  1  0.072349  0.331569  0.607418  1
  Al  Al211  1  0.439984  0.723988  0.600299  1
  Al  Al212  1  0.939984  0.723988  0.600299  1
  Al  Al213  1  0.460297  1.064927  0.589659  1
  Al  Al214  1  0.422253  0.386315  0.616621  1
  Al  Al215  1  -0.039703  1.064927  0.589659  1
  Al  Al216  1  0.922253  0.386315  0.616621  1
  Al  Al217  1  0.385294  0.592894  0.650184  1
  Al  Al218  1  0.885294  0.592894  0.650184  1
  Al  Al219  1  0.356626  0.908673  0.676497  1
  Al  Al220  1  0.400986  0.248712  0.669128  1
  Al  Al221  1  0.856626  0.908673  0.676497  1
  Al  Al222  1  0.900986  0.248711  0.669128  1
  Al  Al223  1  0.366389  0.460924  0.680004  1
  Al  Al224  1  0.866389  0.460924  0.680004  1
  Al  Al225  1  0.385921  0.800872  0.671599  1
  Al  Al226  1  0.384461  0.154225  0.646654  1
  Al  Al227  1  0.885921  0.800872  0.671599  1
  Al  Al228  1  0.884461  0.154224  0.646654  1
  Al  Al229  1  0.527743  0.758797  0.652381  1
  Al  Al230  1  0.027743  0.758797  0.652381  1
  Al  Al231  1  0.419516  0.076579  0.682008  1
  Al  Al232  1  0.508425  0.408506  0.668322  1
  Al  Al233  1  0.919518  0.076579  0.682008  1
  Al  Al234  1  0.008425  0.408506  0.668322  1
  Al  Al235  1  0.485529  0.518506  0.677185  1
  Al  Al236  1  -0.014471  0.518506  0.677185  1
  Al  Al237  1  0.509068  0.865268  0.665433  1
  Al  Al238  1  0.532184  0.194541  0.646664  1
  Al  Al239  1  0.009068  0.865268  0.665433  1
  Al  Al240  1  0.032184  0.194541  0.646664  1
  Al  Al241  1  0.495392  0.629198  0.679625  1
  Al  Al242  1  -0.004608  0.629198  0.679625  1
  Al  Al243  1  0.468946  0.972613  0.673603  1
  Al  Al244  1  0.530145  0.301309  0.657931  1
  Al  Al245  1  -0.031053  0.972613  0.673603  1
  Al  Al246  1  0.030145  0.301309  0.657931  1
  Al  Al247  1  0.396478  0.700662  0.651746  1
  Al  Al248  1  0.896478  0.700662  0.651747  1
  Al  Al249  1  0.386433  1.041672  0.634713  1
  Al  Al250  1  0.380247  0.355589  0.664582  1
  Al  Al251  1  0.886433  1.041672  0.634713  1
  Al  Al252  1  0.880247  0.355589  0.664582  1
  H  H253  1  -0.009198  0.612547  0.267106  1
  H  H254  1  0.490802  0.612547  0.267106  1
  H  H255  1  0.791273  0.929145  0.285152  1
  H  H256  1  0.924757  0.302779  0.263164  1
  H  H257  1  0.291274  0.929145  0.285152  1
  H  H258  1  0.424757  0.302779  0.263164  1
  H  H259  1  -0.011334  0.742160  0.261710  1
  H  H260  1  0.488666  0.742159  0.261710  1
  H  H261  1  0.009855  0.993618  0.270854  1
  H  H262  1  0.070616  0.303138  0.302251  1
  H  H263  1  0.509857  0.993618  0.270853  1
  H  H264  1  0.570616  0.303137  0.302251  1
  H  H265  1  0.938438  0.649892  0.276848  1
  H  H266  1  0.438438  0.649892  0.276848  1
  H  H267  1  0.916931  0.998928  0.275658  1
  H  H268  1  0.786480  0.361068  0.272109  1
  H  H269  1  0.416933  0.998927  0.275657  1
  H  H270  1  0.286480  0.361068  0.272109  1
  H  H271  1  0.209601  0.751675  0.304333  1
  H  H272  1  0.709600  0.751675  0.304333  1
  H  H273  1  0.246976  0.124832  0.288558  1
  H  H274  1  0.329601  0.455991  0.272023  1
  H  H275  1  0.746976  0.124832  0.288558  1
  H  H276  1  0.829601  0.455991  0.272023  1
  H  H277  1  -0.050811  0.884109  0.273203  1
  H  H278  1  0.449184  0.884108  0.273201  1
  H  H279  1  0.807849  0.258779  0.280307  1
  H  H280  1  0.782402  0.605079  0.289352  1
  H  H281  1  0.307850  0.258779  0.280308  1
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