# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00860794
_cell_length_b   9.86400675
_cell_length_c   45.76996473
_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   'Al42 H126'
_cell_volume   3164.21295899
_cell_formula_units_Z   42
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  0.556441  0.663993  0.319236  1
  Al  Al2  1  0.925731  0.728941  0.319236  1
  Al  Al3  1  0.223108  0.330659  0.319236  1
  Al  Al4  1  0.592397  0.395608  0.319236  1
  Al  Al5  1  0.889775  0.997326  0.319236  1
  Al  Al6  1  0.259064  0.062274  0.319236  1
  Al  Al7  1  0.478891  0.202215  0.354597  1
  Al  Al8  1  0.003289  0.190715  0.354598  1
  Al  Al9  1  0.145558  0.868882  0.354597  1
  Al  Al10  1  0.669956  0.857381  0.354598  1
  Al  Al11  1  0.812224  0.535548  0.354597  1
  Al  Al12  1  0.336622  0.524048  0.354598  1
  Al  Al13  1  0.482803  0.700663  0.420482  1
  Al  Al14  1  -0.000636  0.692274  0.420495  1
  Al  Al15  1  0.149470  0.367330  0.420482  1
  Al  Al16  1  0.666030  0.358940  0.420495  1
  Al  Al17  1  0.816136  0.033997  0.420482  1
  Al  Al18  1  0.332697  0.025607  0.420495  1
  Al  Al19  1  0.491110  0.196463  0.483808  1
  Al  Al20  1  -0.008943  0.196474  0.483815  1
  Al  Al21  1  0.157777  0.863130  0.483808  1
  Al  Al22  1  0.657723  0.863141  0.483815  1
  Al  Al23  1  0.824443  0.529796  0.483808  1
  Al  Al24  1  0.324390  0.529807  0.483815  1
  Al  Al25  1  0.491059  0.696498  0.546857  1
  Al  Al26  1  -0.009350  0.696669  0.546677  1
  Al  Al27  1  0.157726  0.363164  0.546857  1
  Al  Al28  1  0.657317  0.363336  0.546677  1
  Al  Al29  1  0.824393  0.029831  0.546857  1
  Al  Al30  1  0.323984  0.030002  0.546677  1
  Al  Al31  1  0.493132  0.193874  0.611835  1
  Al  Al32  1  -0.008785  0.197946  0.611103  1
  Al  Al33  1  0.159799  0.860540  0.611835  1
  Al  Al34  1  0.657881  0.864612  0.611103  1
  Al  Al35  1  0.826466  0.527207  0.611835  1
  Al  Al36  1  0.324548  0.531279  0.611103  1
  Al  Al37  1  0.513818  0.697536  0.667218  1
  Al  Al38  1  0.969233  0.702466  0.670621  1
  Al  Al39  1  0.180485  0.364203  0.667218  1
  Al  Al40  1  0.635900  0.369133  0.670621  1
  Al  Al41  1  0.847151  0.030869  0.667218  1
  Al  Al42  1  0.302566  0.035799  0.670621  1
  H  H43  1  0.574418  0.029796  0.319100  1
  H  H44  1  0.920456  0.731519  0.370081  1
  H  H45  1  0.760253  0.561640  0.290857  1
  H  H46  1  0.721922  0.831292  0.290857  1
  H  H47  1  0.741090  0.196469  0.318922  1
  H  H48  1  0.895069  0.994738  0.370080  1
  H  H49  1  0.241085  0.696463  0.319100  1
  H  H50  1  0.587123  0.398186  0.370081  1
  H  H51  1  0.426920  0.228307  0.290857  1
  H  H52  1  0.388589  0.497958  0.290857  1
  H  H53  1  0.407757  0.863135  0.318922  1
  H  H54  1  0.561736  0.661405  0.370080  1
  H  H55  1  0.907751  0.363130  0.319100  1
  H  H56  1  0.253789  0.064852  0.370081  1
  H  H57  1  0.093586  0.894974  0.290857  1
  H  H58  1  0.055255  0.164625  0.290857  1
  H  H59  1  0.074423  0.529802  0.318922  1
  H  H60  1  0.228403  0.328071  0.370080  1
  H  H61  1  0.574426  0.529787  0.392177  1
  H  H62  1  0.910774  0.236826  0.403062  1
  H  H63  1  0.721815  0.081773  0.370957  1
  H  H64  1  0.760364  0.311157  0.370961  1
  H  H65  1  0.741106  0.696466  0.392275  1
  H  H66  1  0.904701  0.489457  0.403063  1
  H  H67  1  0.241093  0.196454  0.392177  1
  H  H68  1  0.577441  0.903493  0.403062  1
  H  H69  1  0.388481  0.748440  0.370957  1
  H  H70  1  0.427031  0.977824  0.370961  1
  H  H71  1  0.407773  0.363133  0.392275  1
  H  H72  1  0.571368  0.156124  0.403063  1
  H  H73  1  0.907760  0.863121  0.392177  1
  H  H74  1  0.244107  0.570159  0.403062  1
  H  H75  1  0.055148  0.415106  0.370957  1
  H  H76  1  0.093698  0.644490  0.370961  1
  H  H77  1  0.074439  0.029799  0.392275  1
  H  H78  1  0.238034  0.822790  0.403063  1
  H  H79  1  0.574461  0.029807  0.452208  1
  H  H80  1  0.907648  0.738366  0.467506  1
  H  H81  1  0.739512  0.572444  0.436710  1
  H  H82  1  0.742639  0.820502  0.436710  1
  H  H83  1  0.741091  0.196437  0.452282  1
  H  H84  1  0.907796  0.987933  0.467479  1
  H  H85  1  0.241128  0.696474  0.452208  1
  H  H86  1  0.574315  0.405032  0.467506  1
  H  H87  1  0.406179  0.239111  0.436710  1
  H  H88  1  0.409305  0.487168  0.436710  1
  H  H89  1  0.407758  0.863103  0.452282  1
  H  H90  1  0.574463  0.654600  0.467479  1
  H  H91  1  0.907794  0.363140  0.452208  1
  H  H92  1  0.240981  0.071699  0.467506  1
  H  H93  1  0.072845  0.905777  0.436710  1
  H  H94  1  0.075972  0.153835  0.436710  1
  H  H95  1  0.074425  0.529770  0.452282  1
  H  H96  1  0.241130  0.321266  0.467479  1
  H  H97  1  0.574555  0.530207  0.515336  1
  H  H98  1  0.908071  0.238134  0.531115  1
  H  H99  1  0.741284  0.071535  0.499697  1
  H  H100  1  0.740715  0.321483  0.499622  1
  H  H101  1  0.740605  0.696246  0.515411  1
  H  H102  1  0.907315  0.488191  0.531130  1
  H  H103  1  0.241221  0.196873  0.515336  1
  H  H104  1  0.574738  0.904801  0.531115  1
  H  H105  1  0.407951  0.738201  0.499697  1
  H  H106  1  0.407382  0.988150  0.499622  1
  H  H107  1  0.407272  0.362912  0.515411  1
  H  H108  1  0.573981  0.154857  0.531130  1
  H  H109  1  0.907888  0.863540  0.515336  1
  H  H110  1  0.241404  0.571467  0.531115  1
  H  H111  1  0.074618  0.404868  0.499697  1
  H  H112  1  0.074049  0.654816  0.499622  1
  H  H113  1  0.073938  0.029579  0.515411  1
  H  H114  1  0.240648  0.821524  0.531130  1
  H  H115  1  0.573162  0.029672  0.578568  1
  H  H116  1  0.908837  0.737048  0.593837  1
  H  H117  1  0.741785  0.571162  0.563618  1
  H  H118  1  0.740674  0.821609  0.563275  1
  H  H119  1  0.740769  0.197336  0.578705  1
  H  H120  1  0.911027  0.987051  0.593685  1
  H  H121  1  0.239829  0.696338  0.578568  1
  H  H122  1  0.575504  0.403714  0.593837  1
  H  H123  1  0.408452  0.237828  0.563618  1
  H  H124  1  0.407340  0.488276  0.563275  1
  H  H125  1  0.407435  0.864003  0.578705  1
  H  H126  1  0.577693  0.653717  0.593685  1
  H  H127  1  0.906496  0.363005  0.578568  1
  H  H128  1  0.242171  0.070381  0.593837  1
  H  H129  1  0.075118  0.904495  0.563618  1
  H  H130  1  0.074007  0.154943  0.563275  1
  H  H131  1  0.074102  0.530669  0.578705  1
  H  H132  1  0.244360  0.320384  0.593685  1
  H  H133  1  0.575658  0.527774  0.640330  1
  H  H134  1  0.908176  0.246830  0.660334  1
  H  H135  1  0.741501  0.073802  0.624248  1
  H  H136  1  0.746080  0.317484  0.627095  1
  H  H137  1  0.749376  0.698328  0.639558  1
  H  H138  1  0.906143  0.485687  0.663746  1
  H  H139  1  0.242325  0.194440  0.640330  1
  H  H140  1  0.574842  0.913497  0.660334  1
  H  H141  1  0.408167  0.740469  0.624248  1
  H  H142  1  0.412747  0.984151  0.627095  1
  H  H143  1  0.416042  0.364994  0.639558  1
  H  H144  1  0.572810  0.152354  0.663746  1
  H  H145  1  0.908992  0.861107  0.640330  1
  H  H146  1  0.241509  0.580163  0.660334  1
  H  H147  1  0.074834  0.407136  0.624248  1
  H  H148  1  0.079413  0.650818  0.627095  1
  H  H149  1  0.082709  0.031661  0.639558  1
  H  H150  1  0.239477  0.819020  0.663746  1
  H  H151  1  0.477396  0.010870  0.710958  1
  H  H152  1  0.767425  0.724559  0.713602  1
  H  H153  1  0.731688  0.571443  0.690866  1
  H  H154  1  0.736812  0.839541  0.690102  1
  H  H155  1  0.738608  0.251353  0.710141  1
  H  H156  1  0.947448  0.031853  0.713574  1
  H  H157  1  0.144063  0.677536  0.710958  1
  H  H158  1  0.434091  0.391225  0.713602  1
  H  H159  1  0.398355  0.238110  0.690866  1
  H  H160  1  0.403479  0.506208  0.690102  1
  H  H161  1  0.405275  0.918020  0.710141  1
  H  H162  1  0.614115  0.698520  0.713574  1
  H  H163  1  0.810730  0.344203  0.710958  1
  H  H164  1  0.100758  0.057892  0.713602  1
  H  H165  1  0.065021  0.904777  0.690866  1
  H  H166  1  0.070145  0.172875  0.690102  1
  H  H167  1  0.071941  0.584687  0.710141  1
  H  H168  1  0.280781  0.365186  0.713574  1
