# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.40694136
_cell_length_b   9.76525924
_cell_length_c   39.72516838
_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   4037.12904255
_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  0.121396  0.392754  0.432557  1
  Al  Al2  1  0.062463  0.966275  0.457680  1
  Al  Al3  1  0.268931  0.848380  0.434134  1
  Al  Al4  1  0.244369  0.145824  0.445985  1
  Al  Al5  1  0.290433  0.580897  0.424017  1
  Al  Al6  1  0.072775  0.683194  0.444574  1
  Al  Al7  1  0.024905  0.234281  0.477598  1
  Al  Al8  1  0.082761  0.784992  0.509131  1
  Al  Al9  1  0.320784  0.676041  0.485579  1
  Al  Al10  1  0.299044  0.949430  0.497345  1
  Al  Al11  1  0.334342  0.392685  0.469382  1
  Al  Al12  1  0.078895  0.503414  0.494037  1
  Al  Al13  1  0.031084  1.048714  0.526143  1
  Al  Al14  1  0.070985  0.597626  0.561757  1
  Al  Al15  1  0.301822  0.477105  0.534433  1
  Al  Al16  1  0.298378  0.756395  0.552693  1
  Al  Al17  1  0.268024  0.208307  0.514748  1
  Al  Al18  1  0.056309  0.320134  0.545736  1
  Al  Al19  1  0.052993  0.870668  0.578601  1
  Al  Al20  1  0.061421  0.415493  0.614913  1
  Al  Al21  1  0.287877  0.293852  0.586540  1
  Al  Al22  1  0.294755  0.569415  0.604177  1
  Al  Al23  1  0.283621  1.026149  0.566895  1
  Al  Al24  1  0.065263  0.139504  0.598499  1
  Al  Al25  1  0.047682  0.683556  0.631447  1
  Al  Al26  1  0.061014  0.231515  0.667344  1
  Al  Al27  1  0.294824  0.110707  0.639695  1
  Al  Al28  1  0.291272  0.393315  0.655772  1
  Al  Al29  1  0.278450  0.840780  0.621002  1
  Al  Al30  1  0.059690  0.954903  0.651234  1
  Al  Al31  1  0.046505  0.490431  0.686489  1
  Al  Al32  1  0.044376  1.048915  0.716440  1
  Al  Al33  1  0.290664  0.925126  0.692039  1
  Al  Al34  1  0.297561  0.202703  0.704633  1
  Al  Al35  1  0.260984  0.660337  0.675808  1
  Al  Al36  1  0.021448  0.767720  0.700451  1
  Al  Al37  1  0.103450  0.304650  0.740328  1
  Al  Al38  1  0.069813  0.855474  0.762336  1
  Al  Al39  1  0.282791  0.746518  0.742310  1
  Al  Al40  1  0.252446  1.033697  0.754382  1
  Al  Al41  1  0.294410  0.469997  0.724590  1
  Al  Al42  1  0.081897  0.585334  0.748895  1
  H  H43  1  -0.137864  0.996740  0.398937  1
  H  H44  1  0.340136  0.238303  0.401061  1
  H  H45  1  0.043178  0.165156  0.420681  1
  H  H46  1  -0.065355  0.509088  0.386792  1
  H  H47  1  -0.140099  1.051045  0.375143  1
  H  H48  1  0.073845  0.853134  0.405973  1
  H  H49  1  0.168790  1.009064  0.403709  1
  H  H50  1  0.341066  0.823771  0.382451  1
  H  H51  1  0.019952  0.442248  0.385083  1
  H  H52  1  -0.012408  0.606006  0.395712  1
  H  H53  1  -0.093501  0.264814  0.422886  1
  H  H54  1  0.446610  0.542169  0.387673  1
  H  H55  1  0.370231  0.487738  0.377705  1
  H  H56  1  0.506995  0.370888  0.435757  1
  H  H57  1  0.274181  0.736241  0.381103  1
  H  H58  1  0.590984  0.436163  0.438104  1
  H  H59  1  0.775225  1.042372  0.389200  1
  H  H60  1  0.235908  0.267906  0.393607  1
  H  H61  1  -0.110917  0.812620  0.447660  1
  H  H62  1  0.500153  0.910992  0.479690  1
  H  H63  1  -0.113420  1.065277  0.463835  1
  H  H64  1  -0.149683  0.302773  0.444028  1
  H  H65  1  0.801009  0.755353  0.425891  1
  H  H66  1  -0.091045  0.548020  0.456339  1
  H  H67  1  0.452618  0.725114  0.437022  1
  H  H68  1  0.575280  0.627993  0.439999  1
  H  H69  1  -0.124643  0.227271  0.520885  1
  H  H70  1  -0.116602  0.414903  0.475202  1
  H  H71  1  -0.119469  0.874868  0.510866  1
  H  H72  1  0.469657  0.336539  0.514512  1
  H  H73  1  0.429332  0.175097  0.472128  1
  H  H74  1  0.592750  0.127710  0.451549  1
  H  H75  1  0.637475  0.546734  0.437583  1
  H  H76  1  0.666433  0.140840  0.466778  1
  H  H77  1  0.765739  0.823451  0.442606  1
  H  H78  1  0.398282  1.008245  0.425717  1
  H  H79  1  0.702042  0.570493  0.500951  1
  H  H80  1  0.490803  0.653226  0.553096  1
  H  H81  1  -0.080606  0.633247  0.517016  1
  H  H82  1  0.803000  0.979358  0.518247  1
  H  H83  1  0.698671  0.677591  0.494278  1
  H  H84  1  -0.094902  0.479828  0.534205  1
  H  H85  1  0.476659  0.528752  0.497213  1
  H  H86  1  0.616927  0.312819  0.499194  1
  H  H87  1  -0.104994  1.040505  0.573950  1
  H  H88  1  0.806253  1.093752  0.522069  1
  H  H89  1  -0.122629  0.717292  0.563719  1
  H  H90  1  0.444505  1.078994  0.527102  1
  H  H91  1  0.470639  0.907475  0.551492  1
  H  H92  1  0.592027  0.925357  0.558749  1
  H  H93  1  0.663344  0.247746  0.483970  1
  H  H94  1  0.642728  1.009690  0.568851  1
  H  H95  1  0.679988  0.646899  0.519633  1
  H  H96  1  0.492250  0.815009  0.498505  1
  H  H97  1  0.747238  0.355165  0.573767  1
  H  H98  1  0.489876  0.485095  0.628082  1
  H  H99  1  -0.106243  0.557497  0.596101  1
  H  H100  1  0.771146  0.766301  0.570517  1
  H  H101  1  0.690231  0.432649  0.560269  1
  H  H102  1  -0.098912  0.293011  0.587962  1
  H  H103  1  0.464190  0.322496  0.553508  1
  H  H104  1  0.558076  0.187382  0.574383  1
  H  H105  1  -0.105110  0.855853  0.620472  1
  H  H106  1  -0.177445  0.859567  0.577124  1
  H  H107  1  -0.133965  0.539634  0.629652  1
  H  H108  1  0.441550  0.990688  0.608100  1
  H  H109  1  0.454889  0.733620  0.598105  1
  H  H110  1  0.585630  0.770469  0.613488  1
  H  H111  1  0.635417  0.125489  0.568606  1
  H  H112  1  0.643288  0.839512  0.625291  1
  H  H113  1  0.680117  0.424810  0.586740  1
  H  H114  1  0.471185  0.530135  0.567712  1
  H  H115  1  0.697878  0.214638  0.658259  1
  H  H116  1  0.467994  0.341645  0.685532  1
  H  H117  1  -0.106008  0.374421  0.650918  1
  H  H118  1  -0.128082  0.804180  0.657924  1
  H  H119  1  0.692585  0.222749  0.631214  1
  H  H120  1  -0.095428  0.112354  0.637391  1
  H  H121  1  0.466014  0.187661  0.609404  1
  H  H122  1  0.607007  0.979151  0.655374  1
  H  H123  1  -0.115380  0.628834  0.668277  1
  H  H124  1  -0.121462  0.946643  0.686525  1
  H  H125  1  -0.125864  0.344054  0.689621  1
  H  H126  1  0.432386  0.799471  0.660670  1
  H  H127  1  0.443733  0.576868  0.650357  1
  H  H128  1  0.670066  0.552341  0.674324  1
  H  H129  1  0.670553  0.946216  0.638167  1
  H  H130  1  0.661663  0.651139  0.674066  1
  H  H131  1  0.673176  0.310272  0.646672  1
  H  H132  1  0.465647  0.350158  0.618724  1
  H  H133  1  0.701948  0.128838  0.742937  1
  H  H134  1  0.442263  1.087806  0.732200  1
  H  H135  1  -0.112592  0.200407  0.702073  1
  H  H136  1  -0.179677  0.568405  0.729796  1
  H  H137  1  0.687166  1.062822  0.721664  1
  H  H138  1  -0.109306  0.908651  0.736591  1
  H  H139  1  0.474113  1.031351  0.670519  1
  H  H140  1  0.597320  0.813136  0.708283  1
  H  H141  1  -0.077603  0.433570  0.735373  1
  H  H142  1  -0.168936  0.675345  0.724197  1
  H  H143  1  -0.031228  0.145256  0.761758  1
  H  H144  1  0.446819  0.598299  0.702921  1
  H  H145  1  0.517054  0.393886  0.738829  1
  H  H146  1  0.627359  0.389195  0.739497  1
  H  H147  1  0.646122  0.759782  0.690740  1
  H  H148  1  0.580367  0.355812  0.760863  1
  H  H149  1  0.673633  1.025486  0.746839  1
  H  H150  1  0.473078  0.191120  0.672042  1
  H  H151  1  0.171141  0.695981  0.793292  1
  H  H152  1  0.249307  0.863040  0.793204  1
  H  H153  1  -0.051585  0.942505  0.802913  1
  H  H154  1  -0.025615  0.372195  0.784717  1
  H  H155  1  0.760934  0.792209  0.780899  1
  H  H156  1  -0.062515  0.691329  0.781102  1
  H  H157  1  0.469000  0.839948  0.724057  1
  H  H158  1  0.407013  0.666168  0.784317  1
  H  H159  1  0.134768  0.171289  0.785085  1
  H  H160  1  0.053602  0.436166  0.793116  1
  H  H161  1  0.039022  0.954690  0.813006  1
  H  H162  1  0.219648  0.445987  0.778380  1
  H  H163  1  0.317281  0.276043  0.759536  1
  H  H164  1  0.446418  0.111142  0.795188  1
  H  H165  1  0.424007  0.590079  0.765120  1
  H  H166  1  0.359581  1.085253  0.803079  1
  H  H167  1  -0.186075  0.718398  0.789862  1
  H  H168  1  0.432282  0.902883  0.756113  1
