# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71269445
_cell_length_b   8.41744390
_cell_length_c   47.87737543
_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   3108.25536895
_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  0.592021  0.135719  0.330968  1
  Al  Al2  1  0.923179  0.145839  0.338948  1
  Al  Al3  1  0.092555  0.873987  0.348398  1
  Al  Al4  1  0.759885  0.867682  0.346493  1
  Al  Al5  1  0.426863  0.866438  0.350131  1
  Al  Al6  1  0.262136  0.143397  0.342059  1
  Al  Al7  1  0.610162  0.085879  0.385771  1
  Al  Al8  1  0.944553  0.071039  0.393516  1
  Al  Al9  1  0.096382  0.768146  0.402936  1
  Al  Al10  1  0.759729  0.783655  0.401187  1
  Al  Al11  1  0.428766  0.757992  0.405966  1
  Al  Al12  1  0.282528  0.058103  0.397424  1
  Al  Al13  1  0.593176  0.928667  0.446361  1
  Al  Al14  1  0.927035  0.915471  0.447576  1
  Al  Al15  1  0.093939  0.668343  0.472006  1
  Al  Al16  1  0.761279  0.669038  0.475853  1
  Al  Al17  1  0.430420  0.668338  0.469599  1
  Al  Al18  1  0.260117  0.930433  0.451390  1
  Al  Al19  1  0.591878  0.699585  0.525403  1
  Al  Al20  1  0.928228  0.706797  0.528168  1
  Al  Al21  1  0.091784  0.431695  0.543056  1
  Al  Al22  1  0.759281  0.430719  0.541370  1
  Al  Al23  1  0.426102  0.427773  0.543478  1
  Al  Al24  1  0.259471  0.699868  0.521479  1
  Al  Al25  1  0.592505  0.613307  0.587249  1
  Al  Al26  1  0.926418  0.604931  0.590350  1
  Al  Al27  1  0.091260  0.314179  0.598852  1
  Al  Al28  1  0.758896  0.317210  0.599496  1
  Al  Al29  1  0.425008  0.315032  0.598990  1
  Al  Al30  1  0.257903  0.619993  0.583231  1
  Al  Al31  1  0.590932  0.521548  0.643243  1
  Al  Al32  1  0.922600  0.521032  0.646874  1
  Al  Al33  1  0.090201  0.254143  0.654417  1
  Al  Al34  1  0.755697  0.247359  0.654400  1
  Al  Al35  1  0.421492  0.248764  0.653646  1
  Al  Al36  1  0.256891  0.524624  0.638959  1
  H  H37  1  0.914427  0.545023  0.260808  1
  H  H38  1  0.792883  0.120853  0.296741  1
  H  H39  1  0.923840  0.461635  0.256007  1
  H  H40  1  0.538496  0.307296  0.292168  1
  H  H41  1  0.092062  0.329770  0.317839  1
  H  H42  1  0.115624  0.213559  0.302440  1
  H  H43  1  0.092803  0.024347  0.306908  1
  H  H44  1  0.261462  0.768661  0.312004  1
  H  H45  1  0.645054  0.239804  0.285814  1
  H  H46  1  0.411846  0.338533  0.317166  1
  H  H47  1  0.761529  0.375222  0.328622  1
  H  H48  1  0.395860  0.050918  0.300231  1
  H  H49  1  0.586722  0.676895  0.324962  1
  H  H50  1  0.724285  -0.036289  0.300992  1
  H  H51  1  0.394851  0.897708  0.301211  1
  H  H52  1  0.594880  0.783772  0.308917  1
  H  H53  1  0.882515  0.389577  0.316928  1
  H  H54  1  0.934382  0.818016  0.306852  1
  H  H55  1  0.075600  0.334295  0.358812  1
  H  H56  1  0.927393  0.702022  0.319920  1
  H  H57  1  0.734166  0.306379  0.362705  1
  H  H58  1  0.590927  0.352713  0.389518  1
  H  H59  1  0.111758  0.274699  0.411560  1
  H  H60  1  0.228469  0.309030  0.379329  1
  H  H61  1  0.112125  0.621339  0.360914  1
  H  H62  1  0.259093  0.573598  0.381314  1
  H  H63  1  0.435120  0.359429  0.341998  1
  H  H64  1  0.435356  0.300791  0.397460  1
  H  H65  1  0.774936  0.295419  0.404808  1
  H  H66  1  0.255771  0.667968  0.329766  1
  H  H67  1  0.625849  0.560761  0.414374  1
  H  H68  1  0.802093  0.608042  0.363882  1
  H  H69  1  0.426581  0.572767  0.371211  1
  H  H70  1  0.595449  0.651814  0.365731  1
  H  H71  1  0.938261  0.326835  0.408438  1
  H  H72  1  0.918281  0.571362  0.385251  1
  H  H73  1  0.124593  0.175684  0.463867  1
  H  H74  1  0.907755  0.635599  0.433899  1
  H  H75  1  0.836625  0.165026  0.435025  1
  H  H76  1  0.573655  0.169264  0.469414  1
  H  H77  1  0.086701  0.064596  0.482747  1
  H  H78  1  0.201651  0.194088  0.436662  1
  H  H79  1  0.126588  0.545102  0.428723  1
  H  H80  1  0.267693  0.440484  0.466139  1
  H  H81  1  0.505155  0.166838  0.427723  1
  H  H82  1  0.432905  0.118717  0.471721  1
  H  H83  1  0.760401  0.114059  0.469037  1
  H  H84  1  0.330236  0.534342  0.428178  1
  H  H85  1  0.730123  0.413130  0.492588  1
  H  H86  1  0.760443  0.420139  0.458326  1
  H  H87  1  0.410992  0.423856  0.450708  1
  H  H88  1  0.613228  0.492513  0.446204  1
  H  H89  1  0.930500  0.158385  0.468770  1
  H  H90  1  0.934036  0.459403  0.458964  1
  H  H91  1  0.099862  0.932518  0.532847  1
  H  H92  1  0.947369  0.376889  0.503030  1
  H  H93  1  0.915863  0.887755  0.493737  1
  H  H94  1  0.577818  0.944647  0.543227  1
  H  H95  1  0.136878  0.835323  0.559768  1
  H  H96  1  0.258090  0.942936  0.499459  1
  H  H97  1  0.185679  0.450784  0.496959  1
  H  H98  1  0.255689  0.271619  0.512524  1
  H  H99  1  0.594864  0.892753  0.492626  1
  H  H100  1  0.426686  0.924495  0.524721  1
  H  H101  1  0.755354  0.921630  0.539712  1
  H  H102  1  0.516575  0.464143  0.498143  1
  H  H103  1  0.597634  0.219132  0.562355  1
  H  H104  1  0.733403  0.193738  0.518002  1
  H  H105  1  0.389696  0.209199  0.517088  1
  H  H106  1  0.586030  0.218223  0.522365  1
  H  H107  1  0.937754  -0.027412  0.527946  1
  H  H108  1  0.927966  0.235639  0.522012  1
  H  H109  1  0.085145  0.819454  0.602619  1
  H  H110  1  0.920755  0.217926  0.560934  1
  H  H111  1  0.829115  0.822962  0.568827  1
  H  H112  1  0.591018  0.786435  0.624737  1
  H  H113  1  1.069188  0.735228  0.628465  1
  H  H114  1  0.332453  0.870535  0.572216  1
  H  H115  1  0.166857  0.178213  0.558811  1
  H  H116  1  0.245426  0.088256  0.606529  1
  H  H117  1  0.507246  0.857688  0.574103  1
  H  H118  1  0.391199  0.749599  0.619641  1
  H  H119  1  0.764182  0.774458  0.617414  1
  H  H120  1  0.359617  0.167425  0.560494  1
  H  H121  1  0.594784  0.027978  0.655924  1
  H  H122  1  0.768817  0.046609  0.598588  1
  H  H123  1  0.413231  0.053718  0.614124  1
  H  H124  1  0.595567  0.082881  0.605392  1
  H  H125  1  0.876873  0.755782  0.669742  1
  H  H126  1  0.929726  0.085746  0.594425  1
  H  H127  1  0.127490  0.637824  0.676464  1
  H  H128  1  0.925777  0.033317  0.645959  1
  H  H129  1  0.745844  0.717069  0.669193  1
  H  H130  1  0.561040  0.506891  0.691304  1
  H  H131  1  1.073288  0.456193  0.688131  1
  H  H132  1  0.270848  0.729232  0.671311  1
  H  H133  1  0.089161  -0.005835  0.647994  1
  H  H134  1  0.254283  0.243256  0.694826  1
  H  H135  1  0.412760  0.721048  0.663580  1
  H  H136  1  0.405257  0.464388  0.682699  1
  H  H137  1  0.741454  0.451009  0.686487  1
  H  H138  1  0.252941  0.029428  0.658512  1
  H  H139  1  0.582066  0.205639  0.692457  1
  H  H140  1  0.882476  0.070261  0.685389  1
  H  H141  1  0.252348  0.112350  0.687160  1
  H  H142  1  0.573888  0.071383  0.681148  1
  H  H143  1  0.909273  0.485459  0.695107  1
  H  H144  1  0.922473  0.185766  0.693442  1
