# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53529549
_cell_length_b   8.40399768
_cell_length_c   47.34725278
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.91348140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al42 H126'
_cell_volume   3320.96081887
_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  0.894767  0.966836  0.306306  1
  Al  Al2  1  0.714661  0.588047  0.338714  1
  Al  Al3  1  -0.022107  0.440637  0.313787  1
  Al  Al4  1  -0.003252  0.712964  0.337532  1
  Al  Al5  1  -0.021179  1.024239  0.357611  1
  Al  Al6  1  0.765176  0.260540  0.325517  1
  Al  Al7  1  0.701711  0.897100  0.349132  1
  Al  Al8  1  0.632615  0.485995  0.389159  1
  Al  Al9  1  -0.051456  0.337476  0.368014  1
  Al  Al10  1  0.903895  0.638970  0.388013  1
  Al  Al11  1  0.870423  0.940803  0.408558  1
  Al  Al12  1  0.656600  0.174445  0.375922  1
  Al  Al13  1  0.606667  0.802524  0.405603  1
  Al  Al14  1  0.540740  0.396130  0.447113  1
  Al  Al15  1  0.832629  0.252715  0.422699  1
  Al  Al16  1  0.795623  0.558536  0.440238  1
  Al  Al17  1  0.750547  0.853742  0.463043  1
  Al  Al18  1  0.565058  0.093491  0.431153  1
  Al  Al19  1  0.504250  0.696405  0.463602  1
  Al  Al20  1  0.392912  0.244756  0.516123  1
  Al  Al21  1  0.680558  0.142262  0.484354  1
  Al  Al22  1  0.616456  0.437237  0.502686  1
  Al  Al23  1  0.580976  0.725119  0.523698  1
  Al  Al24  1  0.444802  0.971636  0.489958  1
  Al  Al25  1  0.346071  0.546119  0.533162  1
  Al  Al26  1  0.236060  0.138185  0.572050  1
  Al  Al27  1  0.544299  0.997331  0.550538  1
  Al  Al28  1  0.486746  0.293993  0.570666  1
  Al  Al29  1  0.438407  0.597566  0.586897  1
  Al  Al30  1  0.293490  0.843236  0.552228  1
  Al  Al31  1  0.183089  0.439710  0.595047  1
  Al  Al32  1  0.121929  1.055218  0.623562  1
  Al  Al33  1  0.422220  0.887027  0.608194  1
  Al  Al34  1  0.400048  0.192763  0.625454  1
  Al  Al35  1  0.397435  0.499916  0.640451  1
  Al  Al36  1  0.146879  0.738943  0.617498  1
  Al  Al37  1  0.097330  0.349119  0.647059  1
  Al  Al38  1  0.050429  0.940691  0.674019  1
  Al  Al39  1  0.351391  0.786908  0.663781  1
  Al  Al40  1  0.285903  0.094186  0.674943  1
  Al  Al41  1  0.305116  0.384219  0.688403  1
  Al  Al42  1  0.103424  0.630288  0.670239  1
  H  H43  1  0.737486  0.475175  0.293938  1
  H  H44  1  -0.061520  0.911436  0.259288  1
  H  H45  1  0.882600  0.701132  0.293662  1
  H  H46  1  0.650820  0.974370  0.288965  1
  H  H47  1  0.111404  0.390673  0.272293  1
  H  H48  1  0.534366  0.281268  0.299533  1
  H  H49  1  0.241945  0.369150  0.320920  1
  H  H50  1  0.449841  0.376923  0.242215  1
  H  H51  1  0.816997  0.183444  0.280128  1
  H  H52  1  0.542446  0.145967  0.331256  1
  H  H53  1  0.710162  0.848731  0.283495  1
  H  H54  1  -0.036621  0.204096  0.291390  1
  H  H55  1  0.039739  0.948571  0.263584  1
  H  H56  1  0.143670  0.805510  0.302265  1
  H  H57  1  0.573803  0.343469  0.238040  1
  H  H58  1  0.508944  0.253564  0.243463  1
  H  H59  1  0.003264  0.453591  0.266109  1
  H  H60  1  0.135448  0.640685  0.297895  1
  H  H61  1  0.436375  0.378367  0.366085  1
  H  H62  1  0.219112  0.517420  0.317466  1
  H  H63  1  0.512288  0.696422  0.309672  1
  H  H64  1  0.323698  0.820499  0.366143  1
  H  H65  1  0.568813  0.390588  0.293846  1
  H  H66  1  0.459289  1.068183  0.352672  1
  H  H67  1  0.189812  0.263713  0.388532  1
  H  H68  1  0.165095  0.252874  0.334160  1
  H  H69  1  0.509073  0.807607  0.321483  1
  H  H70  1  0.449806  1.041060  0.389223  1
  H  H71  1  0.489084  0.716438  0.366118  1
  H  H72  1  0.179414  0.142012  0.376009  1
  H  H73  1  0.206684  0.813459  0.354306  1
  H  H74  1  0.179940  0.601500  0.389115  1
  H  H75  1  0.183336  1.066687  0.326043  1
  H  H76  1  0.171217  0.966388  0.308365  1
  H  H77  1  0.500658  0.464101  0.344795  1
  H  H78  1  0.141189  0.510196  0.366515  1
  H  H79  1  0.323566  0.274546  0.436799  1
  H  H80  1  0.026222  0.404223  0.412876  1
  H  H81  1  0.430470  0.630919  0.416129  1
  H  H82  1  0.241086  0.727139  0.458104  1
  H  H83  1  0.448510  0.329792  0.402450  1
  H  H84  1  0.338262  1.009285  0.443435  1
  H  H85  1  -0.068386  0.134109  0.464526  1
  H  H86  1  0.069745  0.081554  0.422916  1
  H  H87  1  0.365302  0.841478  0.422759  1
  H  H88  1  0.264537  0.890139  0.460646  1
  H  H89  1  0.293732  0.583341  0.444663  1
  H  H90  1  -0.017482  0.948294  0.451690  1
  H  H91  1  0.000750  0.699145  0.430979  1
  H  H92  1  0.032584  0.496405  0.463008  1
  H  H93  1  0.121236  0.982689  0.399453  1
  H  H94  1  0.115739  0.750696  0.403707  1
  H  H95  1  0.284834  0.432672  0.432456  1
  H  H96  1  0.022560  0.363557  0.448517  1
  H  H97  1  0.190519  0.143231  0.491137  1
  H  H98  1  0.816881  0.338358  0.470092  1
  H  H99  1  0.354492  0.458667  0.484672  1
  H  H100  1  0.087409  0.604966  0.517441  1
  H  H101  1  0.296407  0.205964  0.470108  1
  H  H102  1  0.196549  0.984064  0.511330  1
  H  H103  1  0.779362  1.006324  0.526252  1
  H  H104  1  0.904730  0.947825  0.498574  1
  H  H105  1  0.292163  0.724913  0.495216  1
  H  H106  1  0.105267  0.735523  0.528853  1
  H  H107  1  0.166022  0.454016  0.504732  1
  H  H108  1  0.811743  0.805472  0.510475  1
  H  H109  1  0.770461  0.617586  0.488737  1
  H  H110  1  0.866950  0.384685  0.522029  1
  H  H111  1  -0.007605  0.845313  0.481058  1
  H  H112  1  -0.021933  0.652649  0.469038  1
  H  H113  1  0.137494  0.295687  0.500374  1
  H  H114  1  0.859850  0.255327  0.508981  1
  H  H115  1  0.004642  1.037624  0.580325  1
  H  H116  1  0.663432  0.208413  0.532876  1
  H  H117  1  0.150772  0.319669  0.537384  1
  H  H118  1  0.925106  0.469336  0.580640  1
  H  H119  1  0.081047  1.044062  0.536431  1
  H  H120  1  0.057181  0.840647  0.574888  1
  H  H121  1  0.674945  0.841521  0.589939  1
  H  H122  1  0.779194  0.824809  0.562227  1
  H  H123  1  0.108588  0.592430  0.555379  1
  H  H124  1  -0.056011  0.631129  0.598201  1
  H  H125  1  0.001969  0.340644  0.567667  1
  H  H126  1  0.665997  0.668357  0.573030  1
  H  H127  1  0.619392  0.486917  0.551198  1
  H  H128  1  0.740338  0.266892  0.584136  1
  H  H129  1  0.819120  0.707720  0.545009  1
  H  H130  1  0.814494  0.531003  0.530489  1
  H  H131  1  -0.011009  0.131026  0.554184  1
  H  H132  1  0.726737  0.119400  0.576140  1
  H  H133  1  0.782119  0.993983  0.676874  1
  H  H134  1  0.607854  1.053785  0.598023  1
  H  H135  1  -0.025514  0.300670  0.605621  1
  H  H136  1  0.839621  0.394869  0.662242  1
  H  H137  1  0.899504  0.922568  0.620063  1
  H  H138  1  0.910055  0.785620  0.645209  1
  H  H139  1  0.519756  0.912353  0.691036  1
  H  H140  1  0.601940  0.800860  0.644297  1
  H  H141  1  0.919219  0.521567  0.617881  1
  H  H142  1  0.875985  0.511649  0.669282  1
  H  H143  1  0.886031  0.230279  0.636806  1
  H  H144  1  0.562066  0.580174  0.674811  1
  H  H145  1  0.611575  0.303147  0.633428  1
  H  H146  1  0.510743  0.199075  0.671038  1
  H  H147  1  0.596199  0.639367  0.624817  1
  H  H148  1  0.656522  0.397728  0.601662  1
  H  H149  1  0.852513  0.079392  0.627550  1
  H  H150  1  0.594627  0.971491  0.639278  1
  H  H151  1  0.853504  0.742488  0.709053  1
  H  H152  1  0.489230  1.005628  0.707154  1
  H  H153  1  0.805653  0.106281  0.681747  1
  H  H154  1  0.491407  0.305481  0.722522  1
  H  H155  1  0.837190  0.682757  0.690935  1
  H  H156  1  0.066572  0.470080  0.709782  1
  H  H157  1  0.148883  0.756846  0.710061  1
  H  H158  1  0.461188  0.697487  0.710929  1
  H  H159  1  0.018990  0.210279  0.685534  1
  H  H160  1  0.385442  0.329249  0.733537  1
  H  H161  1  -0.043598  1.016351  0.719866  1
  H  H162  1  0.149971  0.563818  0.718129  1
  H  H163  1  0.278384  0.191266  0.721036  1
  H  H164  1  0.138997  0.229794  0.713405  1
  H  H165  1  0.428965  0.618849  0.724624  1
  H  H166  1  0.550264  0.437828  0.681460  1
  H  H167  1  -0.056149  0.898167  0.719537  1
  H  H168  1  0.239005  0.908895  0.707371  1
