# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.84342602
_cell_length_b   8.02007436
_cell_length_c   53.14023555
_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   'Al54 H162'
_cell_volume   5047.53363194
_cell_formula_units_Z   54
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  0.058100  0.965723  0.382543  1
  Al  Al2  1  0.065996  1.306081  0.290366  1
  Al  Al3  1  0.059946  1.135873  0.335684  1
  Al  Al4  1  0.069567  0.802319  0.335073  1
  Al  Al5  1  0.067474  0.632268  0.382346  1
  Al  Al6  1  0.061805  0.974020  0.291050  1
  Al  Al7  1  0.283774  0.637633  0.333180  1
  Al  Al8  1  0.279057  0.467242  0.381996  1
  Al  Al9  1  0.251728  0.804075  0.286788  1
  Al  Al10  1  0.269962  0.803483  0.380575  1
  Al  Al11  1  0.257446  1.137294  0.287842  1
  Al  Al12  1  0.280117  0.971543  0.332462  1
  Al  Al13  1  0.259295  0.473232  0.289012  1
  Al  Al14  1  0.268824  1.301007  0.333914  1
  Al  Al15  1  0.267748  1.132047  0.382332  1
  Al  Al16  1  0.062590  0.636715  0.290083  1
  Al  Al17  1  0.063629  0.471454  0.335224  1
  Al  Al18  1  0.064508  1.300894  0.382676  1
  Al  Al19  1  0.048253  0.451900  0.524394  1
  Al  Al20  1  0.057936  0.795709  0.429796  1
  Al  Al21  1  0.057856  0.624069  0.477164  1
  Al  Al22  1  0.062461  1.290938  0.476782  1
  Al  Al23  1  0.049016  1.119349  0.524058  1
  Al  Al24  1  0.066135  0.462928  0.429642  1
  Al  Al25  1  0.273175  1.126672  0.478440  1
  Al  Al26  1  0.261620  0.953250  0.526337  1
  Al  Al27  1  0.277484  1.297980  0.430671  1
  Al  Al28  1  0.258350  1.287110  0.525479  1
  Al  Al29  1  0.270737  0.633313  0.428887  1
  Al  Al30  1  0.270111  0.461789  0.477585  1
  Al  Al31  1  0.268220  0.961838  0.430289  1
  Al  Al32  1  0.269616  0.792044  0.478596  1
  Al  Al33  1  0.259361  0.617383  0.526442  1
  Al  Al34  1  0.064488  1.130180  0.429567  1
  Al  Al35  1  0.061744  0.957864  0.476849  1
  Al  Al36  1  0.052306  0.787105  0.524110  1
  Al  Al37  1  0.026373  0.944701  0.663204  1
  Al  Al38  1  0.043704  1.281273  0.571366  1
  Al  Al39  1  0.038838  1.111875  0.618673  1
  Al  Al40  1  0.039241  0.777231  0.618418  1
  Al  Al41  1  0.026604  0.610674  0.663166  1
  Al  Al42  1  0.042305  0.949083  0.571207  1
  Al  Al43  1  0.260066  0.609151  0.621850  1
  Al  Al44  1  0.219714  0.443797  0.665864  1
  Al  Al45  1  0.253628  0.782060  0.573713  1
  Al  Al46  1  0.218855  0.776696  0.665974  1
  Al  Al47  1  0.253252  1.115549  0.573382  1
  Al  Al48  1  0.250611  0.940415  0.620799  1
  Al  Al49  1  0.252654  0.448837  0.574135  1
  Al  Al50  1  0.255694  1.272837  0.621646  1
  Al  Al51  1  0.219631  1.110056  0.665980  1
  Al  Al52  1  0.044402  0.616488  0.571344  1
  Al  Al53  1  0.045100  0.444363  0.618628  1
  Al  Al54  1  0.027501  1.277697  0.664204  1
  H  H55  1  0.714973  0.780704  0.313048  1
  H  H56  1  0.729921  0.574909  0.373434  1
  H  H57  1  -0.198580  0.976961  0.263672  1
  H  H58  1  0.421814  0.817856  0.351280  1
  H  H59  1  0.418804  0.660017  0.395953  1
  H  H60  1  0.430284  1.029613  0.280441  1
  H  H61  1  -0.074242  0.789047  0.363908  1
  H  H62  1  -0.004417  1.140377  0.263476  1
  H  H63  1  -0.080348  0.963073  0.319995  1
  H  H64  1  0.723662  0.924813  0.362684  1
  H  H65  1  0.773615  0.441547  0.264951  1
  H  H66  1  0.710700  1.137698  0.302407  1
  H  H67  1  0.654643  0.821529  0.299717  1
  H  H68  1  0.693665  0.609804  0.355945  1
  H  H69  1  -0.205663  1.052812  0.247009  1
  H  H70  1  -0.079380  0.637774  0.319247  1
  H  H71  1  -0.075294  0.465053  0.365571  1
  H  H72  1  0.094750  0.821563  0.258105  1
  H  H73  1  0.420332  0.751806  0.304346  1
  H  H74  1  0.434062  0.500875  0.354307  1
  H  H75  1  0.196614  1.091343  0.247692  1
  H  H76  1  0.407422  0.650913  0.282619  1
  H  H77  1  0.573718  0.489771  0.316044  1
  H  H78  1  0.281916  0.730556  0.246188  1
  H  H79  1  0.021777  0.464815  0.255426  1
  H  H80  1  -0.079095  1.306572  0.319030  1
  H  H81  1  -0.079232  1.141593  0.365939  1
  H  H82  1  -0.030250  0.579817  0.255513  1
  H  H83  1  -0.189007  0.462647  0.283075  1
  H  H84  1  0.712901  1.232357  0.316238  1
  H  H85  1  0.764140  0.890665  0.379787  1
  H  H86  1  -0.176359  1.341998  0.272329  1
  H  H87  1  0.725410  1.106158  0.321555  1
  H  H88  1  0.248374  0.605991  0.250524  1
  H  H89  1  0.409169  0.442772  0.314985  1
  H  H90  1  0.407228  1.281165  0.363776  1
  H  H91  1  0.432725  0.969088  0.377930  1
  H  H92  1  0.332600  1.314256  0.260634  1
  H  H93  1  0.438000  1.148557  0.322196  1
  H  H94  1  0.525969  0.543512  0.242839  1
  H  H95  1  0.520343  1.311551  0.278569  1
  H  H96  1  0.480836  1.045667  0.331512  1
  H  H97  1  0.585964  0.623108  0.251539  1
  H  H98  1  0.609460  0.501751  0.299585  1
  H  H99  1  0.625238  1.307671  0.358600  1
  H  H100  1  0.554605  0.652247  0.233527  1
  H  H101  1  0.575704  1.388146  0.286190  1
  H  H102  1  0.596074  1.182668  0.359198  1
  H  H103  1  0.631243  0.809287  0.318791  1
  H  H104  1  0.645596  0.618516  0.372644  1
  H  H105  1  0.721130  1.014625  0.256501  1
  H  H106  1  0.463742  0.657649  0.348859  1
  H  H107  1  0.248569  1.212946  0.246418  1
  H  H108  1  0.380192  0.968815  0.265248  1
  H  H109  1  0.732260  1.207847  0.476359  1
  H  H110  1  0.723388  0.987523  0.531642  1
  H  H111  1  0.709725  1.355943  0.432159  1
  H  H112  1  0.412270  1.304346  0.496724  1
  H  H113  1  0.400545  1.127570  0.543513  1
  H  H114  1  0.415018  0.483490  0.446038  1
  H  H115  1  -0.085296  1.283167  0.504187  1
  H  H116  1  -0.074894  0.620975  0.410655  1
  H  H117  1  -0.078854  0.451833  0.458113  1
  H  H118  1  0.702982  1.348590  0.517183  1
  H  H119  1  0.701236  0.708544  0.418126  1
  H  H120  1  0.696592  0.526566  0.475107  1
  H  H121  1  0.695522  1.115702  0.464650  1
  H  H122  1  0.698477  1.011705  0.512781  1
  H  H123  1  0.716242  1.380654  0.412642  1
  H  H124  1  -0.077542  1.122049  0.458976  1
  H  H125  1  -0.086139  0.951052  0.505355  1
  H  H126  1  -0.076022  1.296106  0.412991  1
  H  H127  1  0.432913  1.167881  0.452371  1
  H  H128  1  0.416785  0.974172  0.499394  1
  H  H129  1  0.432548  1.340402  0.403109  1
  H  H130  1  0.593565  1.023040  0.425820  1
  H  H131  1  0.592605  0.839271  0.479535  1
  H  H132  1  0.611737  1.249820  0.376205  1
  H  H133  1  -0.079279  0.971099  0.413085  1
  H  H134  1  -0.081320  0.793573  0.460678  1
  H  H135  1  -0.086369  0.622667  0.508128  1
  H  H136  1  0.767775  1.019042  0.373041  1
  H  H137  1  0.756041  0.798063  0.426420  1
  H  H138  1  0.753968  0.616383  0.481504  1
  H  H139  1  0.742710  1.302260  0.533604  1
  H  H140  1  0.755525  0.670339  0.432897  1
  H  H141  1  -0.214028  0.499256  0.473026  1
  H  H142  1  0.406872  1.125120  0.412750  1
  H  H143  1  0.408590  0.957750  0.460527  1
  H  H144  1  0.402882  0.778280  0.511602  1
  H  H145  1  0.413050  0.448153  0.534934  1
  H  H146  1  0.437696  0.796669  0.427147  1
  H  H147  1  0.435334  0.620667  0.480821  1
  H  H148  1  0.530800  0.939582  0.388864  1
  H  H149  1  0.501061  0.733927  0.437987  1
  H  H150  1  0.478617  0.516349  0.490186  1
  H  H151  1  0.654559  1.064615  0.414526  1
  H  H152  1  0.658040  0.875420  0.467435  1
  H  H153  1  0.656180  0.698680  0.521861  1
  H  H154  1  0.589380  0.974954  0.403421  1
  H  H155  1  0.593916  0.792010  0.460339  1
  H  H156  1  0.588362  0.622080  0.515834  1
  H  H157  1  0.643212  1.203957  0.473882  1
  H  H158  1  0.638159  1.019663  0.527259  1
  H  H159  1  0.637440  1.392758  0.421894  1
  H  H160  1  0.449732  1.143804  0.498857  1
  H  H161  1  0.458996  0.499188  0.399612  1
  H  H162  1  0.459217  1.322928  0.450016  1
  H  H163  1  0.681612  0.518815  0.650146  1
  H  H164  1  -0.067840  0.520823  0.693917  1
  H  H165  1  0.706316  0.742399  0.589664  1
  H  H166  1  0.384912  0.792232  0.645468  1
  H  H167  1  0.147175  0.610110  0.697012  1
  H  H168  1  0.404409  1.013260  0.596723  1
  H  H169  1  -0.110460  0.774552  0.646824  1
  H  H170  1  -0.095780  1.116150  0.553612  1
  H  H171  1  -0.100660  0.941328  0.601045  1
  H  H172  1  -0.021607  0.840621  0.701360  1
  H  H173  1  0.716114  1.099621  0.589815  1
  H  H174  1  0.623824  0.911214  0.638805  1
  H  H175  1  0.698932  0.565431  0.631746  1
  H  H176  1  -0.108693  1.239662  0.690635  1
  H  H177  1  0.702212  0.794411  0.571277  1
  H  H178  1  -0.098890  0.607184  0.601180  1
  H  H179  1  -0.107212  0.439937  0.645723  1
  H  H180  1  -0.094221  0.781578  0.552839  1
  H  H181  1  0.447408  0.598866  0.609402  1
  H  H182  1  0.364239  1.285833  0.671718  1
  H  H183  1  0.435516  0.821858  0.559144  1
  H  H184  1  0.541650  0.519042  0.594062  1
  H  H185  1  0.483197  1.340852  0.648850  1
  H  H186  1  0.586427  0.682582  0.533880  1
  H  H187  1  -0.093790  0.451925  0.555901  1
  H  H188  1  -0.098241  1.281540  0.601803  1
  H  H189  1  -0.110301  1.109962  0.646351  1
  H  H190  1  0.753123  0.431875  0.528160  1
  H  H191  1  0.720448  1.215504  0.579914  1
  H  H192  1  0.679846  0.999569  0.646512  1
  H  H193  1  -0.096138  0.896560  0.693335  1
  H  H194  1  0.663021  1.121957  0.574116  1
  H  H195  1  0.706525  0.921957  0.631308  1
  H  H196  1  0.398484  0.616083  0.559539  1
  H  H197  1  0.400692  0.433285  0.605712  1
  H  H198  1  0.167362  1.276962  0.697499  1
  H  H199  1  0.288635  0.942606  0.692885  1
  H  H200  1  0.401816  1.287080  0.580727  1
  H  H201  1  0.378256  1.079116  0.644509  1
  H  H202  1  0.525024  1.378733  0.544833  1
  H  H203  1  0.508956  1.100733  0.608595  1
  H  H204  1  0.510260  0.936454  0.681591  1
  H  H205  1  0.584306  0.474912  0.579023  1
  H  H206  1  0.537495  1.285522  0.636808  1
  H  H207  1  0.538563  0.886200  0.699073  1
  H  H208  1  0.574984  1.410635  0.559531  1
  H  H209  1  0.546066  1.194080  0.618476  1
  H  H210  1  0.540611  0.810382  0.682884  1
  H  H211  1  0.620374  0.589879  0.640529  1
  H  H212  1  -0.108314  1.377538  0.693842  1
  H  H213  1  0.631484  0.801669  0.583352  1
  H  H214  1  0.372478  0.604668  0.659460  1
  H  H215  1  0.441125  0.955778  0.548503  1
  H  H216  1  0.400855  0.769742  0.603624  1
