# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.02041085
_cell_length_b   8.78246555
_cell_length_c   32.71408957
_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   'Al36 H108'
_cell_volume   3166.27826028
_cell_formula_units_Z   36
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  0.039621  0.910905  0.537327  1
  Al  Al2  1  0.107336  0.555162  0.537623  1
  Al  Al3  1  0.289911  0.352121  0.559102  1
  Al  Al4  1  0.247164  0.778517  0.522887  1
  Al  Al5  1  0.261804  0.067512  0.536698  1
  Al  Al6  1  0.075598  0.242070  0.535670  1
  Al  Al7  1  0.009169  0.706988  0.599318  1
  Al  Al8  1  0.072411  0.400110  0.605170  1
  Al  Al9  1  0.297836  0.142076  0.618150  1
  Al  Al10  1  0.320686  0.622852  0.586096  1
  Al  Al11  1  0.206461  0.879121  0.599298  1
  Al  Al12  1  0.019428  0.085347  0.602464  1
  Al  Al13  1  0.069511  0.562164  0.673594  1
  Al  Al14  1  0.097785  0.222658  0.671980  1
  Al  Al15  1  0.287129  1.008140  0.693338  1
  Al  Al16  1  0.292086  0.419263  0.651065  1
  Al  Al17  1  0.287929  0.722235  0.663394  1
  Al  Al18  1  0.059515  0.884969  0.667223  1
  Al  Al19  1  0.058736  0.387526  0.743645  1
  Al  Al20  1  0.080274  0.056863  0.741340  1
  Al  Al21  1  0.272231  0.874913  0.768313  1
  Al  Al22  1  0.293202  0.277332  0.732308  1
  Al  Al23  1  0.283435  0.583052  0.738846  1
  Al  Al24  1  0.062393  0.723746  0.742798  1
  Al  Al25  1  0.035785  0.206468  0.813274  1
  Al  Al26  1  0.046384  0.888790  0.810980  1
  Al  Al27  1  0.316208  0.662775  0.821086  1
  Al  Al28  1  0.309773  0.121097  0.809339  1
  Al  Al29  1  0.226962  0.396625  0.808140  1
  Al  Al30  1  0.012707  0.559296  0.810775  1
  Al  Al31  1  0.034253  1.037081  0.880727  1
  Al  Al32  1  0.059337  0.714379  0.877970  1
  Al  Al33  1  0.236070  0.525304  0.884415  1
  Al  Al34  1  0.244088  0.900710  0.864590  1
  Al  Al35  1  0.221621  0.214904  0.880166  1
  Al  Al36  1  0.027454  0.391383  0.877967  1
  H  H37  1  -0.193941  0.376877  0.476621  1
  H  H38  1  0.234525  0.573987  0.485879  1
  H  H39  1  0.083864  0.741010  0.485815  1
  H  H40  1  -0.143426  0.862783  0.505800  1
  H  H41  1  0.732340  0.429445  0.461264  1
  H  H42  1  -0.090691  0.113920  0.541438  1
  H  H43  1  0.233677  0.285643  0.494091  1
  H  H44  1  0.459104  0.228678  0.506600  1
  H  H45  1  0.097900  0.068555  0.486891  1
  H  H46  1  -0.095218  0.919661  0.483983  1
  H  H47  1  -0.071207  0.687095  0.535146  1
  H  H48  1  0.415678  0.908193  0.537941  1
  H  H49  1  0.440832  0.736590  0.535854  1
  H  H50  1  0.341421  0.834903  0.466307  1
  H  H51  1  0.424552  0.132378  0.493747  1
  H  H52  1  0.281537  0.931232  0.468505  1
  H  H53  1  0.755013  0.465640  0.490960  1
  H  H54  1  0.419947  0.510955  0.527607  1
  H  H55  1  0.743169  0.255111  0.577698  1
  H  H56  1  0.472265  0.473260  0.560772  1
  H  H57  1  -0.066789  0.408516  0.547897  1
  H  H58  1  0.753699  0.580392  0.577706  1
  H  H59  1  0.703519  0.257149  0.547324  1
  H  H60  1  -0.115006  0.977311  0.641758  1
  H  H61  1  0.443592  0.170741  0.570421  1
  H  H62  1  0.558219  0.059155  0.582455  1
  H  H63  1  -0.120823  0.901914  0.583913  1
  H  H64  1  0.761823  0.657471  0.601476  1
  H  H65  1  -0.161201  0.547519  0.600341  1
  H  H66  1  0.407072  0.895152  0.619389  1
  H  H67  1  0.460617  0.585702  0.637142  1
  H  H68  1  0.565887  0.751994  0.560419  1
  H  H69  1  0.612443  0.966574  0.582074  1
  H  H70  1  0.617915  0.839731  0.570160  1
  H  H71  1  0.660952  0.316770  0.571337  1
  H  H72  1  0.446603  0.319170  0.609356  1
  H  H73  1  0.668695  0.191849  0.678263  1
  H  H74  1  0.450206  0.298383  0.685295  1
  H  H75  1  -0.084874  0.277199  0.634624  1
  H  H76  1  0.675037  0.482111  0.658728  1
  H  H77  1  0.721231  0.147563  0.653734  1
  H  H78  1  -0.080190  0.891065  0.718316  1
  H  H79  1  0.448390  1.031205  0.652156  1
  H  H80  1  0.609735  0.898201  0.672063  1
  H  H81  1  -0.096714  0.710729  0.659784  1
  H  H82  1  0.713723  0.558820  0.679810  1
  H  H83  1  0.764396  0.458427  0.670630  1
  H  H84  1  0.442517  0.719598  0.707903  1
  H  H85  1  0.434384  0.450712  0.705399  1
  H  H86  1  0.533291  0.692391  0.636643  1
  H  H87  1  0.690382  0.847011  0.664957  1
  H  H88  1  0.605595  0.791902  0.650459  1
  H  H89  1  0.636038  0.201087  0.647647  1
  H  H90  1  0.460465  0.143046  0.713530  1
  H  H91  1  0.707419  1.007761  0.737894  1
  H  H92  1  0.451083  0.145703  0.758553  1
  H  H93  1  -0.088799  0.142945  0.703637  1
  H  H94  1  0.785900  0.434097  0.805625  1
  H  H95  1  0.702616  0.891441  0.747122  1
  H  H96  1  -0.109932  0.752608  0.785100  1
  H  H97  1  0.439728  0.877181  0.724783  1
  H  H98  1  0.570762  0.660865  0.768756  1
  H  H99  1  -0.088293  0.561476  0.724507  1
  H  H100  1  -0.196039  0.545962  0.795846  1
  H  H101  1  -0.109050  0.280670  0.714714  1
  H  H102  1  0.417382  0.462992  0.784741  1
  H  H103  1  0.510216  0.213913  0.814805  1
  H  H104  1  0.607435  0.337941  0.748750  1
  H  H105  1  0.610608  0.578307  0.751941  1
  H  H106  1  0.633094  0.442822  0.746088  1
  H  H107  1  0.646430  0.974574  0.761402  1
  H  H108  1  0.453523  0.927076  0.803782  1
  H  H109  1  0.673679  0.899769  0.838373  1
  H  H110  1  0.445457  0.961252  0.848937  1
  H  H111  1  -0.098667  0.052589  0.779595  1
  H  H112  1  -0.166829  0.302747  0.875867  1
  H  H113  1  0.686444  0.782570  0.830431  1
  H  H114  1  -0.112632  0.580295  0.864450  1
  H  H115  1  0.466739  0.762003  0.785130  1
  H  H116  1  0.508567  0.587746  0.845792  1
  H  H117  1  -0.114456  0.353044  0.785760  1
  H  H118  1  -0.149954  0.343005  0.906233  1
  H  H119  1  -0.119796  0.052352  0.835352  1
  H  H120  1  0.377988  0.366458  0.861276  1
  H  H121  1  0.399904  0.082115  0.873378  1
  H  H122  1  0.580504  0.271838  0.831131  1
  H  H123  1  0.579427  0.506680  0.848763  1
  H  H124  1  0.597449  0.382321  0.846152  1
  H  H125  1  0.659515  0.813648  0.860678  1
  H  H126  1  0.410080  0.770968  0.874200  1
  H  H127  1  0.002515  0.559566  0.931973  1
  H  H128  1  0.223235  0.744257  0.922071  1
  H  H129  1  -0.103173  0.856962  0.861086  1
  H  H130  1  -0.085342  1.005485  0.936624  1
  H  H131  1  -0.102209  0.609942  0.943384  1
  H  H132  1  0.161064  0.368926  0.933127  1
  H  H133  1  0.406367  0.550889  0.922203  1
  H  H134  1  0.457622  0.263737  0.929884  1
  H  H135  1  0.057236  0.220466  0.928126  1
  H  H136  1  -0.141993  0.052809  0.915307  1
  H  H137  1  0.117810  0.880939  0.927091  1
  H  H138  1  0.262295  0.107599  0.941258  1
  H  H139  1  0.316333  1.023162  0.923415  1
  H  H140  1  0.572432  0.064626  0.930583  1
  H  H141  1  0.533991  0.202343  0.930637  1
  H  H142  1  0.623164  0.132429  0.913892  1
  H  H143  1  -0.080891  0.717605  0.931426  1
  H  H144  1  0.343550  0.516094  0.943441  1
