# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93556526
_cell_length_b   9.08048132
_cell_length_c   47.88336708
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.14198132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al48 H144'
_cell_volume   3575.46471555
_cell_formula_units_Z   48
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  0.197245  0.551614  0.342448  1
  Al  Al2  1  0.990093  0.212901  0.326346  1
  Al  Al3  1  0.865052  0.880325  0.338745  1
  Al  Al4  1  0.678159  0.516553  0.331940  1
  Al  Al5  1  0.844258  0.369047  0.324558  1
  Al  Al6  1  0.013873  0.712125  0.331859  1
  Al  Al7  1  0.729094  0.381675  0.377378  1
  Al  Al8  1  0.531029  0.134189  0.337310  1
  Al  Al9  1  0.190996  0.773628  0.378418  1
  Al  Al10  1  0.993756  0.346977  0.383519  1
  Al  Al11  1  0.236977  0.215148  0.345336  1
  Al  Al12  1  0.480284  0.565358  0.361949  1
  Al  Al13  1  0.195193  0.354592  0.419452  1
  Al  Al14  1  0.955670  0.889020  0.391565  1
  Al  Al15  1  0.641651  0.615341  0.441137  1
  Al  Al16  1  0.434432  0.193187  0.406158  1
  Al  Al17  1  0.733122  0.062630  0.361489  1
  Al  Al18  1  0.910676  0.473403  0.428761  1
  Al  Al19  1  0.590403  0.190502  0.477083  1
  Al  Al20  1  0.365172  0.746948  0.446529  1
  Al  Al21  1  0.070005  0.475790  0.495336  1
  Al  Al22  1  0.862030  0.049396  0.467027  1
  Al  Al23  1  0.124625  0.912423  0.458201  1
  Al  Al24  1  0.334981  0.332568  0.485555  1
  Al  Al25  1  0.026018  0.049927  0.531807  1
  Al  Al26  1  0.813450  0.620484  0.504258  1
  Al  Al27  1  0.501381  0.336075  0.550107  1
  Al  Al28  1  0.289387  0.907528  0.523085  1
  Al  Al29  1  0.548555  0.765036  0.512555  1
  Al  Al30  1  0.761655  0.186178  0.538814  1
  Al  Al31  1  0.461186  0.902692  0.589206  1
  Al  Al32  1  0.231036  0.470445  0.558125  1
  Al  Al33  1  0.943630  0.195025  0.614277  1
  Al  Al34  1  0.715365  0.774147  0.574930  1
  Al  Al35  1  0.985432  0.629334  0.571686  1
  Al  Al36  1  0.208860  0.067711  0.601656  1
  Al  Al37  1  0.821420  0.728679  0.635315  1
  Al  Al38  1  0.610114  0.368517  0.636125  1
  Al  Al39  1  0.145330  0.925911  0.652674  1
  Al  Al40  1  0.148868  0.651723  0.631779  1
  Al  Al41  1  0.376025  0.455852  0.624079  1
  Al  Al42  1  0.598972  0.905290  0.650978  1
  Al  Al43  1  0.324410  0.592798  0.668453  1
  Al  Al44  1  0.130666  0.215001  0.664051  1
  Al  Al45  1  0.735620  0.794059  0.682440  1
  Al  Al46  1  0.472744  0.433429  0.676473  1
  Al  Al47  1  0.892805  0.421505  0.657901  1
  Al  Al48  1  0.922069  0.684436  0.685582  1
  H  H49  1  0.432298  0.441498  0.317338  1
  H  H50  1  0.638007  0.314006  0.297394  1
  H  H51  1  0.688704  0.052921  0.316156  1
  H  H52  1  0.469753  0.284421  0.305002  1
  H  H53  1  0.242971  0.403184  0.307112  1
  H  H54  1  0.171501  0.226550  0.296761  1
  H  H55  1  0.430767  0.984475  0.294483  1
  H  H56  1  0.085538  0.459142  0.297660  1
  H  H57  1  0.803305  0.722585  0.294572  1
  H  H58  1  0.684837  0.603895  0.287379  1
  H  H59  1  0.175530  0.667056  0.303301  1
  H  H60  1  0.920039  0.571728  0.291830  1
  H  H61  1  0.905413  0.275803  0.284555  1
  H  H62  1  0.113980  0.906858  0.300681  1
  H  H63  1  0.328882  0.105655  0.312922  1
  H  H64  1  0.068809  0.035368  0.305898  1
  H  H65  1  0.541286  -0.002873  0.294055  1
  H  H66  1  0.890342  0.132182  0.281771  1
  H  H67  1  0.743190  0.183487  0.405430  1
  H  H68  1  0.989424  0.110039  0.367976  1
  H  H69  1  0.203468  0.159926  0.392540  1
  H  H70  1  0.858431  0.059435  0.401649  1
  H  H71  1  0.538894  0.067180  0.383190  1
  H  H72  1  0.848854  0.985177  0.295630  1
  H  H73  1  0.832355  0.663735  0.365656  1
  H  H74  1  0.484600  0.321144  0.362855  1
  H  H75  1  0.292609  0.603087  0.386602  1
  H  H76  1  0.985132  0.536012  0.361520  1
  H  H77  1  0.608605  0.730508  0.323019  1
  H  H78  1  0.233221  0.391443  0.374045  1
  H  H79  1  0.328210  0.055307  0.365455  1
  H  H80  1  0.444032  0.711211  0.323460  1
  H  H81  1  0.699896  0.817752  0.376259  1
  H  H82  1  0.465153  0.808643  0.358558  1
  H  H83  1  0.116094  0.941285  0.355668  1
  H  H84  1  0.291146  0.843903  0.332309  1
  H  H85  1  0.277262  0.198821  0.442404  1
  H  H86  1  0.416767  0.917600  0.407057  1
  H  H87  1  0.625618  0.004814  0.448644  1
  H  H88  1  0.388648  0.012293  0.445250  1
  H  H89  1  0.032936  0.054531  0.433474  1
  H  H90  1  0.183770  0.946949  0.411411  1
  H  H91  1  0.443403  0.656151  0.406831  1
  H  H92  1  0.923756  0.232945  0.429530  1
  H  H93  1  0.670859  0.422949  0.419936  1
  H  H94  1  0.452395  0.451572  0.406696  1
  H  H95  1  0.164228  0.583541  0.413179  1
  H  H96  1  0.643858  0.208872  0.431420  1
  H  H97  1  0.790598  0.897535  0.426027  1
  H  H98  1  0.943559  0.643746  0.395757  1
  H  H99  1  0.157745  0.749793  0.427987  1
  H  H100  1  0.904261  0.726185  0.430973  1
  H  H101  1  0.585447  0.812866  0.422027  1
  H  H102  1  0.682106  0.638704  0.394782  1
  H  H103  1  0.687105  0.046304  0.497798  1
  H  H104  1  0.860574  0.800478  0.467345  1
  H  H105  1  0.063762  0.870692  0.504660  1
  H  H106  1  0.810907  0.868553  0.503499  1
  H  H107  1  0.444661  0.899624  0.488979  1
  H  H108  1  0.604334  0.804401  0.465865  1
  H  H109  1  0.745645  0.477045  0.462701  1
  H  H110  1  0.332897  0.083749  0.486173  1
  H  H111  1  0.112559  0.300109  0.466086  1
  H  H112  1  0.853038  0.292533  0.466548  1
  H  H113  1  0.488883  0.322020  0.451558  1
  H  H114  1  0.085497  0.085041  0.485213  1
  H  H115  1  0.214435  0.763034  0.480348  1
  H  H116  1  0.388279  0.519152  0.449980  1
  H  H117  1  0.585822  0.582158  0.486209  1
  H  H118  1  0.333068  0.582951  0.485258  1
  H  H119  1  0.981407  0.621164  0.471218  1
  H  H120  1  0.123778  0.492589  0.450166  1
  H  H121  1  0.131976  0.919654  0.556853  1
  H  H122  1  0.286151  0.656609  0.522227  1
  H  H123  1  0.486489  0.730639  0.558771  1
  H  H124  1  0.242735  0.728638  0.560080  1
  H  H125  1  0.890709  0.766445  0.545767  1
  H  H126  1  0.037445  0.655792  0.524057  1
  H  H127  1  0.163799  0.330963  0.517560  1
  H  H128  1  0.766432  0.944985  0.539160  1
  H  H129  1  0.536872  0.156402  0.523158  1
  H  H130  1  0.287132  0.155057  0.523102  1
  H  H131  1  0.933983  0.192515  0.508473  1
  H  H132  1  0.512915  0.937677  0.541991  1
  H  H133  1  0.641013  0.619080  0.535277  1
  H  H134  1  0.809860  0.370827  0.503747  1
  H  H135  1  0.008906  0.444911  0.541681  1
  H  H136  1  0.766550  0.444164  0.542248  1
  H  H137  1  0.404230  0.476446  0.527021  1
  H  H138  1  0.561158  0.371656  0.503964  1
  H  H139  1  0.556703  0.756957  0.608999  1
  H  H140  1  0.721785  0.521785  0.575752  1
  H  H141  1  0.874347  0.532750  0.616639  1
  H  H142  1  0.631013  0.553232  0.604304  1
  H  H143  1  0.286314  0.602736  0.597978  1
  H  H144  1  0.459291  0.513618  0.577047  1
  H  H145  1  0.595171  0.188754  0.573354  1
  H  H146  1  0.214527  0.824618  0.594911  1
  H  H147  1  0.973141  0.027800  0.579127  1
  H  H148  1  0.730411  0.036325  0.579965  1
  H  H149  1  0.366928  0.052841  0.566602  1
  H  H150  1  0.938983  0.821873  0.592100  1
  H  H151  1  0.060772  0.467085  0.592677  1
  H  H152  1  0.239303  0.223582  0.560698  1
  H  H153  1  0.456765  0.303951  0.596748  1
  H  H154  1  0.181244  0.288112  0.594443  1
  H  H155  1  0.818713  0.333325  0.578425  1
  H  H156  1  0.979017  0.217094  0.561680  1
  H  H157  1  0.130676  0.650753  0.680199  1
  H  H158  1  0.133287  0.408231  0.638236  1
  H  H159  1  0.262329  0.271377  0.705384  1
  H  H160  1  0.066547  0.394623  0.688782  1
  H  H161  1  0.697559  0.438083  0.679168  1
  H  H162  1  0.780168  0.297799  0.616759  1
  H  H163  1  0.022632  0.028204  0.629469  1
  H  H164  1  0.572609  0.655825  0.649289  1
  H  H165  1  0.361463  0.904514  0.654745  1
  H  H166  1  0.041810  0.778528  0.612210  1
  H  H167  1  0.754610  0.905945  0.615294  1
  H  H168  1  0.391657  0.724297  0.625776  1
  H  H169  1  0.465159  0.179819  0.674325  1
  H  H170  1  0.662196  0.095170  0.617847  1
  H  H171  1  0.860283  0.165840  0.660352  1
  H  H172  1  0.635459  0.176493  0.665192  1
  H  H173  1  0.334315  0.207787  0.643892  1
  H  H174  1  0.435594  0.076526  0.619838  1
  H  H175  1  0.362235  0.503454  0.713149  1
  H  H176  1  0.526554  0.276586  0.710423  1
  H  H177  1  0.843719  0.409735  0.704117  1
  H  H178  1  0.535530  0.379836  0.721257  1
  H  H179  1  0.188690  0.393769  0.705045  1
  H  H180  1  0.232857  0.088460  0.693550  1
  H  H181  1  0.443173  0.869800  0.691365  1
  H  H182  1  0.977863  0.578621  0.724158  1
  H  H183  1  0.701629  0.623778  0.719024  1
  H  H184  1  0.509644  0.653311  0.707930  1
  H  H185  1  0.328910  0.756712  0.703138  1
  H  H186  1  0.849765  0.495296  0.726855  1
  H  H187  1  0.945170  0.070242  0.700674  1
  H  H188  1  0.006022  0.973445  0.697137  1
  H  H189  1  0.162485  0.892272  0.699950  1
  H  H190  1  0.827540  0.763936  0.723263  1
  H  H191  1  0.663120  0.968470  0.694567  1
  H  H192  1  0.866861  -0.000429  0.650928  1
