# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74923396
_cell_length_b   21.25188795
_cell_length_c   54.38188931
_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   3177.33867235
_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  0.952036  -0.126344  0.329406  1
  Al  Al2  1  0.930427  0.483009  0.398981  1
  Al  Al3  1  0.943731  -0.050571  0.371410  1
  Al  Al4  1  0.919242  0.355539  0.312332  1
  Al  Al5  1  0.448563  0.065567  0.374522  1
  Al  Al6  1  0.423390  0.462822  0.314685  1
  Al  Al7  1  0.450710  -0.002009  0.329515  1
  Al  Al8  1  0.425728  0.600610  0.399731  1
  Al  Al9  1  0.461704  -0.068547  0.287799  1
  Al  Al10  1  0.424665  0.528346  0.356479  1
  Al  Al11  1  0.966239  0.825047  0.284320  1
  Al  Al12  1  0.926399  0.407224  0.356990  1
  Al  Al13  1  0.933493  0.082645  0.460735  1
  Al  Al14  1  0.949365  0.698457  0.528727  1
  Al  Al15  1  0.927651  0.148441  0.505992  1
  Al  Al16  1  0.942755  0.547010  0.443445  1
  Al  Al17  1  0.410062  0.270616  0.504555  1
  Al  Al18  1  0.449780  0.663871  0.443957  1
  Al  Al19  1  0.425809  0.198183  0.463133  1
  Al  Al20  1  0.444366  0.817447  0.527455  1
  Al  Al21  1  0.426301  0.130646  0.418259  1
  Al  Al22  1  0.446541  0.740179  0.485473  1
  Al  Al23  1  0.937735  0.011641  0.417207  1
  Al  Al24  1  0.957477  0.621365  0.487039  1
  Al  Al25  1  0.888746  0.303558  0.588711  1
  Al  Al26  1  0.940489  -0.079642  0.652550  1
  Al  Al27  1  0.879189  0.372187  0.629479  1
  Al  Al28  1  0.940418  0.769806  0.571275  1
  Al  Al29  1  0.374159  0.479680  0.631735  1
  Al  Al30  1  0.444030  -0.110712  0.569479  1
  Al  Al31  1  0.376636  0.424983  0.587557  1
  Al  Al32  1  0.438358  0.027889  0.652254  1
  Al  Al33  1  0.400372  0.349365  0.545783  1
  Al  Al34  1  0.443150  -0.029313  0.609004  1
  Al  Al35  1  0.900036  0.229245  0.546995  1
  Al  Al36  1  0.942632  0.848762  0.612600  1
  H  H37  1  0.444583  0.863065  0.364276  1
  H  H38  1  0.398548  0.293186  0.288427  1
  H  H39  1  0.946530  0.083522  0.316519  1
  H  H40  1  0.917627  0.683807  0.385090  1
  H  H41  1  1.094442  0.779693  0.352671  1
  H  H42  1  0.674572  0.192134  0.264704  1
  H  H43  1  0.890863  0.323762  0.384760  1
  H  H44  1  0.891888  0.720159  0.292530  1
  H  H45  1  0.267977  0.762145  0.253698  1
  H  H46  1  0.928932  0.249896  0.325568  1
  H  H47  1  0.456372  0.807831  0.250332  1
  H  H48  1  0.417328  0.322916  0.343908  1
  H  H49  1  0.954622  0.139316  0.355047  1
  H  H50  1  0.933424  0.432920  0.282994  1
  H  H51  1  0.385225  0.160111  0.357010  1
  H  H52  1  0.269225  0.503262  0.275031  1
  H  H53  1  0.470761  0.789226  0.314866  1
  H  H54  1  0.432703  0.395475  0.392490  1
  H  H55  1  1.025137  0.719747  0.274512  1
  H  H56  1  1.029129  0.300002  0.368939  1
  H  H57  1  0.779696  0.766088  0.343111  1
  H  H58  1  1.014733  0.193913  0.264706  1
  H  H59  1  0.952665  -0.097505  0.255612  1
  H  H60  1  0.922592  0.549695  0.322665  1
  H  H61  1  0.960068  0.017689  0.293933  1
  H  H62  1  0.922261  0.614484  0.363522  1
  H  H63  1  0.474505  0.008568  0.257533  1
  H  H64  1  0.295227  0.664098  0.333863  1
  H  H65  1  0.453231  0.201554  0.387633  1
  H  H66  1  0.408012  0.540700  0.285083  1
  H  H67  1  0.614449  -0.029067  0.247772  1
  H  H68  1  0.399507  0.641768  0.319238  1
  H  H69  1  1.082695  0.248518  0.308124  1
  H  H70  1  0.758626  0.814139  0.388640  1
  H  H71  1  0.465930  0.097958  0.317747  1
  H  H72  1  0.427592  0.341269  0.278335  1
  H  H73  1  0.439218  0.073691  0.525993  1
  H  H74  1  0.454331  0.533426  0.478252  1
  H  H75  1  0.918873  0.287088  0.468788  1
  H  H76  1  0.939354  -0.092603  0.534892  1
  H  H77  1  0.432749  0.055922  0.494810  1
  H  H78  1  0.431832  0.459804  0.433301  1
  H  H79  1  1.012558  0.606806  0.548063  1
  H  H80  1  0.829114  -0.070979  0.451133  1
  H  H81  1  0.901958  0.837140  0.402654  1
  H  H82  1  0.867645  0.469087  0.476117  1
  H  H83  1  0.438702  -0.072274  0.405157  1
  H  H84  1  0.474987  0.556725  0.511914  1
  H  H85  1  0.904745  0.359104  0.498090  1
  H  H86  1  0.948086  0.734364  0.424290  1
  H  H87  1  0.405647  0.381667  0.503324  1
  H  H88  1  0.409392  0.759601  0.428220  1
  H  H89  1  0.442751  -0.003156  0.452701  1
  H  H90  1  0.454603  0.627214  0.549355  1
  H  H91  1  0.962099  -0.091519  0.435112  1
  H  H92  1  0.949780  0.554002  0.518602  1
  H  H93  1  0.948886  0.018188  0.491292  1
  H  H94  1  0.926676  0.420396  0.431807  1
  H  H95  1  0.913410  0.198579  0.395024  1
  H  H96  1  0.935599  0.808676  0.462484  1
  H  H97  1  0.929003  0.217547  0.429250  1
  H  H98  1  0.950437  0.829332  0.492930  1
  H  H99  1  0.414952  0.320734  0.431240  1
  H  H100  1  0.465551  -0.075870  0.507533  1
  H  H101  1  0.378890  0.437973  0.524609  1
  H  H102  1  0.451395  0.806242  0.453110  1
  H  H103  1  0.283387  0.294149  0.417908  1
  H  H104  1  0.368070  -0.106702  0.492876  1
  H  H105  1  0.986537  0.438542  0.461872  1
  H  H106  1  0.934979  0.069752  0.535617  1
  H  H107  1  0.418726  0.310874  0.463105  1
  H  H108  1  0.435936  0.698501  0.386456  1
  H  H109  1  0.679707  0.498382  0.670356  1
  H  H110  1  0.443914  0.761938  0.607443  1
  H  H111  1  0.851842  0.568557  0.633446  1
  H  H112  1  0.944799  0.048129  0.685796  1
  H  H113  1  0.384331  0.330623  0.660518  1
  H  H114  1  0.432582  0.687799  0.587024  1
  H  H115  1  0.784122  -0.113833  0.693078  1
  H  H116  1  0.876460  0.263426  0.628690  1
  H  H117  1  0.869898  0.123271  0.548050  1
  H  H118  1  0.942033  0.729022  0.646211  1
  H  H119  1  0.390618  0.185603  0.577574  1
  H  H120  1  0.440442  0.830912  0.646879  1
  H  H121  1  0.848650  0.539314  0.658335  1
  H  H122  1  0.950758  -0.021168  0.573528  1
  H  H123  1  0.438843  0.701290  0.688603  1
  H  H124  1  0.390422  0.049112  0.577703  1
  H  H125  1  0.386082  0.253245  0.618339  1
  H  H126  1  0.450547  -0.044695  0.683442  1
  H  H127  1  0.889928  0.193377  0.587789  1
  H  H128  1  0.923247  0.847219  0.683962  1
  H  H129  1  0.999992  0.325132  0.666759  1
  H  H130  1  0.952736  0.673622  0.586699  1
  H  H131  1  0.906842  0.436464  0.535861  1
  H  H132  1  0.935443  0.056686  0.619879  1
  H  H133  1  0.869681  0.483415  0.561029  1
  H  H134  1  0.920332  0.094586  0.674689  1
  H  H135  1  0.385384  0.534018  0.595587  1
  H  H136  1  0.600460  0.135347  0.654071  1
  H  H137  1  0.434312  0.727836  0.697425  1
  H  H138  1  0.524714  0.074645  0.593152  1
  H  H139  1  0.574434  0.520820  0.572231  1
  H  H140  1  0.454581  0.131032  0.636517  1
  H  H141  1  0.946043  0.692400  0.636057  1
  H  H142  1  0.874250  0.437031  0.662810  1
  H  H143  1  0.618434  0.573342  0.615433  1
  H  H144  1  0.450741  -0.049580  0.535753  1
