# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73510575
_cell_length_b   10.57702357
_cell_length_c   59.62116370
_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   'Al60 H180'
_cell_volume   4877.86948608
_cell_formula_units_Z   60
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  0.618375  0.349609  0.300369  1
  Al  Al2  1  0.607081  0.502777  0.264131  1
  Al  Al3  1  0.949300  0.415321  0.294416  1
  Al  Al4  1  0.937912  0.505895  0.252755  1
  Al  Al5  1  0.105785  0.283708  0.257944  1
  Al  Al6  1  0.091509  0.133190  0.295050  1
  Al  Al7  1  0.772547  0.278749  0.259325  1
  Al  Al8  1  0.759633  0.102291  0.293840  1
  Al  Al9  1  0.437237  0.291952  0.256924  1
  Al  Al10  1  0.425951  0.124590  0.291846  1
  Al  Al11  1  0.274134  0.360029  0.303879  1
  Al  Al12  1  0.262427  0.502512  0.266987  1
  Al  Al13  1  0.580545  0.942951  0.372835  1
  Al  Al14  1  0.588126  0.181248  0.336886  1
  Al  Al15  1  0.915153  0.945220  0.373263  1
  Al  Al16  1  0.918216  0.207750  0.332387  1
  Al  Al17  1  0.079509  0.950915  0.332320  1
  Al  Al18  1  0.079663  0.725236  0.384901  1
  Al  Al19  1  0.747127  0.948630  0.332479  1
  Al  Al20  1  0.747344  0.723645  0.385205  1
  Al  Al21  1  0.413637  0.955870  0.329480  1
  Al  Al22  1  0.412686  0.725016  0.385709  1
  Al  Al23  1  0.247772  0.944976  0.372365  1
  Al  Al24  1  0.249434  0.181679  0.337840  1
  Al  Al25  1  0.582984  0.403706  0.466263  1
  Al  Al26  1  0.581123  0.662558  0.424332  1
  Al  Al27  1  0.919054  0.398075  0.467029  1
  Al  Al28  1  0.916387  0.662642  0.424228  1
  Al  Al29  1  0.082456  0.433866  0.426951  1
  Al  Al30  1  0.084187  0.172243  0.471510  1
  Al  Al31  1  0.750468  0.438600  0.427227  1
  Al  Al32  1  0.751141  0.177058  0.472588  1
  Al  Al33  1  0.415214  0.437042  0.426796  1
  Al  Al34  1  0.416840  0.177159  0.472473  1
  Al  Al35  1  0.249537  0.399915  0.466594  1
  Al  Al36  1  0.246699  0.660491  0.424028  1
  Al  Al37  1  0.577953  0.839942  0.564533  1
  Al  Al38  1  0.584020  0.093119  0.509584  1
  Al  Al39  1  0.912587  0.842459  0.565315  1
  Al  Al40  1  0.919115  0.102268  0.510350  1
  Al  Al41  1  0.080402  0.882716  0.523121  1
  Al  Al42  1  0.078437  0.611658  0.560941  1
  Al  Al43  1  0.748631  0.883845  0.523480  1
  Al  Al44  1  0.745135  0.611562  0.561789  1
  Al  Al45  1  0.413833  0.880834  0.523055  1
  Al  Al46  1  0.411363  0.606447  0.561350  1
  Al  Al47  1  0.245490  0.840930  0.563559  1
  Al  Al48  1  0.248467  0.097121  0.509597  1
  Al  Al49  1  0.581910  0.499455  0.639812  1
  Al  Al50  1  0.577917  0.667168  0.604296  1
  Al  Al51  1  0.915797  0.501315  0.640358  1
  Al  Al52  1  0.911350  0.668986  0.604837  1
  Al  Al53  1  0.081641  0.428382  0.597035  1
  Al  Al54  1  0.081770  0.284084  0.634856  1
  Al  Al55  1  0.748967  0.423719  0.597625  1
  Al  Al56  1  0.748724  0.277686  0.634992  1
  Al  Al57  1  0.414934  0.422766  0.597669  1
  Al  Al58  1  0.412581  0.276926  0.635255  1
  Al  Al59  1  0.249135  0.505373  0.639572  1
  Al  Al60  1  0.244384  0.670109  0.603559  1
  H  H61  1  1.042073  0.615853  0.281922  1
  H  H62  1  0.998208  0.543983  0.215992  1
  H  H63  1  0.933700  0.335457  0.226985  1
  H  H64  1  0.739792  0.927077  0.270034  1
  H  H65  1  0.769024  0.674475  0.263991  1
  H  H66  1  0.870327  0.565971  0.217378  1
  H  H67  1  0.653903  0.575457  0.300009  1
  H  H68  1  0.547923  0.622058  0.232945  1
  H  H69  1  0.135470  0.550378  0.314632  1
  H  H70  1  0.159076  0.668640  0.245802  1
  H  H71  1  0.353248  0.669315  0.286318  1
  H  H72  1  0.288207  0.400951  0.341832  1
  H  H73  1  0.269088  0.249463  0.226678  1
  H  H74  1  1.049253  0.922127  0.292438  1
  H  H75  1  0.243078  0.787192  0.320490  1
  H  H76  1  0.239155  0.031317  0.265669  1
  H  H77  1  0.440723  0.680523  0.271638  1
  H  H78  1  0.482990  0.434201  0.330300  1
  H  H79  1  0.457837  0.528715  0.310872  1
  H  H80  1  0.419809  0.572454  0.235453  1
  H  H81  1  0.808633  0.589016  0.308664  1
  H  H82  1  0.726836  0.656813  0.243977  1
  H  H83  1  0.264474  0.368999  0.227393  1
  H  H84  1  0.442407  0.912032  0.291005  1
  H  H85  1  0.619261  0.388538  0.231406  1
  H  H86  1  0.656891  -0.003595  0.261668  1
  H  H87  1  0.806736  0.885933  0.295530  1
  H  H88  1  0.936050  0.214010  0.229202  1
  H  H89  1  0.233887  0.872517  0.301329  1
  H  H90  1  0.367443  0.081306  0.253735  1
  H  H91  1  0.575799  0.834906  0.304390  1
  H  H92  1  0.608566  0.185889  0.235169  1
  H  H93  1  0.989195  0.578343  0.319035  1
  H  H94  1  1.037540  0.711889  0.245208  1
  H  H95  1  0.914584  0.816651  0.312347  1
  H  H96  1  0.944838  0.095944  0.261223  1
  H  H97  1  0.075291  0.100803  0.391817  1
  H  H98  1  0.094248  0.378982  0.343122  1
  H  H99  1  0.797115  0.760372  0.348066  1
  H  H100  1  0.848897  0.522314  0.393512  1
  H  H101  1  0.801463  0.142300  0.365580  1
  H  H102  1  0.804061  0.412635  0.327599  1
  H  H103  1  0.559742  0.083909  0.402137  1
  H  H104  1  0.590674  0.357865  0.359318  1
  H  H105  1  0.092945  -0.005555  0.405120  1
  H  H106  1  1.070120  0.281433  0.364664  1
  H  H107  1  0.198411  0.157025  0.374454  1
  H  H108  1  0.250978  0.862216  0.408810  1
  H  H109  1  0.115475  0.749945  0.345943  1
  H  H110  1  0.096098  0.504356  0.389872  1
  H  H111  1  0.245189  0.317157  0.402520  1
  H  H112  1  0.238546  0.621373  0.358664  1
  H  H113  1  0.523358  0.150094  0.373138  1
  H  H114  1  0.581677  0.859388  0.409058  1
  H  H115  1  0.411384  0.050368  0.398916  1
  H  H116  1  0.412777  0.319435  0.357985  1
  H  H117  1  0.748209  0.051706  0.399874  1
  H  H118  1  0.748003  0.341702  0.355728  1
  H  H119  1  0.456346  0.784250  0.349923  1
  H  H120  1  0.332557  0.518817  0.391973  1
  H  H121  1  0.580953  0.774391  0.323221  1
  H  H122  1  0.579622  0.541214  0.389227  1
  H  H123  1  0.760889  0.298658  0.398483  1
  H  H124  1  0.761974  0.595025  0.354292  1
  H  H125  1  0.395506  0.296257  0.399364  1
  H  H126  1  0.397608  0.618418  0.352976  1
  H  H127  1  0.584048  0.332151  0.401454  1
  H  H128  1  0.577054  0.600201  0.361550  1
  H  H129  1  0.904414  0.076964  0.403684  1
  H  H130  1  0.942715  0.353379  0.361407  1
  H  H131  1  0.912998  0.316871  0.403105  1
  H  H132  1  0.911626  0.597877  0.361604  1
  H  H133  1  0.085671  0.561594  0.482423  1
  H  H134  1  0.082246  0.821386  0.441233  1
  H  H135  1  0.861695  0.244142  0.438078  1
  H  H136  1  0.771236  0.968916  0.486181  1
  H  H137  1  0.815853  0.593200  0.457909  1
  H  H138  1  0.909151  0.857636  0.409030  1
  H  H139  1  0.556828  0.538527  0.495842  1
  H  H140  1  0.545853  0.816068  0.450624  1
  H  H141  1  0.088172  0.465955  0.497339  1
  H  H142  1  0.087289  0.729031  0.454671  1
  H  H143  1  0.325182  0.606896  0.459973  1
  H  H144  1  0.290846  0.307701  0.501299  1
  H  H145  1  0.089566  0.210565  0.433013  1
  H  H146  1  0.079702  0.966792  0.485941  1
  H  H147  1  0.246457  0.784101  0.495054  1
  H  H148  1  0.251114  0.027203  0.451797  1
  H  H149  1  0.578991  0.621623  0.461921  1
  H  H150  1  0.582109  0.301684  0.499748  1
  H  H151  1  0.412263  0.510366  0.492410  1
  H  H152  1  0.405562  0.805124  0.444338  1
  H  H153  1  0.750380  0.507466  0.492153  1
  H  H154  1  0.745974  0.806365  0.444728  1
  H  H155  1  0.308657  0.241600  0.438207  1
  H  H156  1  0.400881  0.967667  0.485749  1
  H  H157  1  0.584223  0.257074  0.434335  1
  H  H158  1  0.585290  -0.007909  0.473013  1
  H  H159  1  0.760053  0.749172  0.494071  1
  H  H160  1  0.777846  0.042438  0.443141  1
  H  H161  1  0.396832  0.758766  0.491698  1
  H  H162  1  0.377258  0.046224  0.442149  1
  H  H163  1  0.582437  0.782053  0.496380  1
  H  H164  1  0.584435  0.078070  0.445971  1
  H  H165  1  0.921141  0.538429  0.495245  1
  H  H166  1  0.891585  0.808000  0.452277  1
  H  H167  1  0.912657  0.781361  0.496338  1
  H  H168  1  0.918183  0.037035  0.450838  1
  H  H169  1  0.077063  0.021119  0.572566  1
  H  H170  1  0.098520  0.269990  0.521973  1
  H  H171  1  0.904340  0.703274  0.532421  1
  H  H172  1  0.913824  0.426081  0.564141  1
  H  H173  1  0.913284  0.024158  0.545827  1
  H  H174  1  0.860992  0.308602  0.501410  1
  H  H175  1  0.448972  0.966535  0.593107  1
  H  H176  1  0.562688  0.232511  0.539359  1
  H  H177  1  0.104366  0.954137  0.590478  1
  H  H178  1  0.089916  0.185723  0.539316  1
  H  H179  1  0.252025  0.029791  0.545487  1
  H  H180  1  0.245241  0.880662  0.602584  1
  H  H181  1  0.108702  0.663641  0.523167  1
  H  H182  1  0.135787  0.391584  0.560080  1
  H  H183  1  0.240273  0.239910  0.590261  1
  H  H184  1  0.238666  0.479305  0.537135  1
  H  H185  1  0.583153  0.025046  0.545697  1
  H  H186  1  0.574747  0.881698  0.603953  1
  H  H187  1  0.410401  0.013021  0.574296  1
  H  H188  1  0.415653  0.213583  0.533608  1
  H  H189  1  0.743012  0.012400  0.574955  1
  H  H190  1  0.748160  0.221766  0.534484  1
  H  H191  1  0.328355  0.671715  0.525825  1
  H  H192  1  0.343670  0.385168  0.561121  1
  H  H193  1  0.585938  0.699732  0.531676  1
  H  H194  1  0.587981  0.423242  0.565010  1
  H  H195  1  0.758439  0.241004  0.578173  1
  H  H196  1  0.751085  0.481784  0.530948  1
  H  H197  1  0.373113  0.245132  0.577493  1
  H  H198  1  0.391137  0.459980  0.532869  1
  H  H199  1  0.580862  0.245011  0.586086  1
  H  H200  1  0.577445  0.485707  0.536720  1
  H  H201  1  0.787895  0.968486  0.593856  1
  H  H202  1  0.907203  0.230569  0.540417  1
  H  H203  1  0.917773  0.250163  0.585216  1
  H  H204  1  0.903364  0.485653  0.536698  1
  H  H205  1  0.078994  0.539299  0.672650  1
  H  H206  1  0.134533  0.879527  0.644002  1
  H  H207  1  0.921645  0.172473  0.610865  1
  H  H208  1  0.910882  0.213678  0.666103  1
  H  H209  1  0.751097  0.653736  0.654419  1
  H  H210  1  0.907043  0.882155  0.604192  1
  H  H211  1  0.563663  0.476067  0.677412  1
  H  H212  1  0.600919  0.824303  0.628928  1
  H  H213  1  0.101404  0.397069  0.668038  1
  H  H214  1  0.077904  0.765944  0.632622  1
  H  H215  1  0.085186  0.635712  0.661961  1
  H  H216  1  0.242777  0.265955  0.667786  1
  H  H217  1  0.116213  0.093923  0.621336  1
  H  H218  1  0.239501  0.158488  0.659188  1
  H  H219  1  0.321140  0.652293  0.694711  1
  H  H220  1  0.363947  0.066294  0.650788  1
  H  H221  1  0.416146  0.663453  0.652441  1
  H  H222  1  0.576004  0.242335  0.662975  1
  H  H223  1  0.415640  0.456907  0.671591  1
  H  H224  1  0.406678  0.751551  0.633084  1
  H  H225  1  0.747747  0.479119  0.672221  1
  H  H226  1  0.741910  0.754327  0.633961  1
  H  H227  1  0.246267  0.136405  0.614519  1
  H  H228  1  0.575831  0.000296  0.682564  1
  H  H229  1  0.577140  0.174083  0.610348  1
  H  H230  1  0.686450  0.018368  0.677649  1
  H  H231  1  0.772112  0.646069  0.704948  1
  H  H232  1  0.800036  0.059593  0.636674  1
  H  H233  1  0.437667  0.676510  0.696492  1
  H  H234  1  0.471233  0.049760  0.640495  1
  H  H235  1  0.653140  0.686440  0.698515  1
  H  H236  1  0.663603  0.065873  0.632368  1
  H  H237  1  0.846398  0.356310  0.669213  1
  H  H238  1  1.012995  0.861904  0.648382  1
  H  H239  1  0.776585  0.733305  0.696376  1
  H  H240  1  0.922071  0.128340  0.653167  1
