# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90902714
_cell_length_b   8.94823484
_cell_length_c   49.06338146
_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   'Al60 H180'
_cell_volume   4350.3667187
_cell_formula_units_Z   60
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  0.098079  0.979464  0.320340  1
  Al  Al2  1  0.542776  0.166895  0.305458  1
  Al  Al3  1  0.885841  0.789065  0.311864  1
  Al  Al4  1  0.482882  0.445747  0.326533  1
  Al  Al5  1  0.184156  0.541557  0.330192  1
  Al  Al6  1  0.617848  0.816110  0.312109  1
  Al  Al7  1  0.288655  0.217712  0.313058  1
  Al  Al8  1  0.748455  0.060577  0.332656  1
  Al  Al9  1  0.449246  0.189517  0.356498  1
  Al  Al10  1  0.730078  0.546947  0.311252  1
  Al  Al11  1  0.370084  0.929166  0.311896  1
  Al  Al12  1  0.861572  0.657919  0.357175  1
  Al  Al13  1  0.998349  0.581331  0.404617  1
  Al  Al14  1  0.495281  0.803481  0.359134  1
  Al  Al15  1  0.075542  0.274397  0.343627  1
  Al  Al16  1  0.509634  0.088104  0.406065  1
  Al  Al17  1  0.169272  0.190473  0.425218  1
  Al  Al18  1  0.717248  0.404491  0.357679  1
  Al  Al19  1  0.155749  0.891828  0.371635  1
  Al  Al20  1  0.666118  0.688015  0.425441  1
  Al  Al21  1  0.334434  0.785820  0.436631  1
  Al  Al22  1  0.817194  0.989402  0.385543  1
  Al  Al23  1  0.319169  0.487268  0.388889  1
  Al  Al24  1  0.837632  0.294680  0.438942  1
  Al  Al25  1  1.007340  0.182629  0.497916  1
  Al  Al26  1  0.499832  0.384258  0.452366  1
  Al  Al27  1  1.002353  0.884178  0.451209  1
  Al  Al28  1  0.506714  0.684030  0.498291  1
  Al  Al29  1  0.176604  0.782800  0.513779  1
  Al  Al30  1  0.671021  0.986554  0.467414  1
  Al  Al31  1  0.171096  0.486325  0.467003  1
  Al  Al32  1  0.675384  0.283216  0.514133  1
  Al  Al33  1  0.344888  0.382397  0.529933  1
  Al  Al34  1  0.839555  0.585305  0.482627  1
  Al  Al35  1  0.340317  0.083081  0.482626  1
  Al  Al36  1  0.844019  0.880551  0.528991  1
  Al  Al37  1  0.018375  0.799640  0.594445  1
  Al  Al38  1  0.513839  0.980768  0.544776  1
  Al  Al39  1  0.011554  0.478612  0.542152  1
  Al  Al40  1  0.515710  0.289736  0.592092  1
  Al  Al41  1  0.198816  0.326930  0.609863  1
  Al  Al42  1  0.680991  0.579132  0.557001  1
  Al  Al43  1  0.182358  0.085193  0.555216  1
  Al  Al44  1  0.696888  0.868891  0.611453  1
  Al  Al45  1  0.367550  0.926104  0.630958  1
  Al  Al46  1  0.842042  0.175540  0.573203  1
  Al  Al47  1  0.346572  0.678747  0.574493  1
  Al  Al48  1  0.791698  0.472060  0.632098  1
  Al  Al49  1  0.946957  0.331722  0.670407  1
  Al  Al50  1  0.425817  0.622021  0.627475  1
  Al  Al51  1  0.027810  0.129040  0.630833  1
  Al  Al52  1  0.518961  0.802294  0.670406  1
  Al  Al53  1  0.166867  0.952143  0.667255  1
  Al  Al54  1  0.617212  0.240795  0.657682  1
  Al  Al55  1  0.100565  0.686090  0.646174  1
  Al  Al56  1  0.636838  0.530163  0.671882  1
  Al  Al57  1  0.371158  0.552435  0.677073  1
  Al  Al58  1  0.794358  0.773816  0.661245  1
  Al  Al59  1  0.333666  0.277862  0.661998  1
  Al  Al60  1  0.911490  0.039566  0.673290  1
  H  H61  1  0.274039  0.038197  0.345309  1
  H  H62  1  0.718445  0.153198  0.276229  1
  H  H63  1  0.316235  0.449298  0.292555  1
  H  H64  1  0.884300  0.589130  0.277597  1
  H  H65  1  0.836307  0.478772  0.274959  1
  H  H66  1  0.727545  0.298384  0.317126  1
  H  H67  1  0.391681  0.243660  0.272595  1
  H  H68  1  0.939578  0.157893  0.312015  1
  H  H69  1  0.226583  0.148091  0.369008  1
  H  H70  1  0.586938  0.397213  0.285590  1
  H  H71  1  0.093108  0.686518  0.297385  1
  H  H72  1  0.804671  0.206027  0.288465  1
  H  H73  1  0.372837  0.608336  0.350711  1
  H  H74  1  0.968885  0.927526  0.283374  1
  H  H75  1  0.535112  0.999735  0.336426  1
  H  H76  1  0.123790  0.142340  0.284775  1
  H  H77  1  0.215299  0.024113  0.280540  1
  H  H78  1  0.721910  0.844526  0.352699  1
  H  H79  1  0.062662  0.744306  0.338470  1
  H  H80  1  0.531501  0.957272  0.276092  1
  H  H81  1  0.281570  0.767135  0.339599  1
  H  H82  1  0.774024  0.962451  0.288169  1
  H  H83  1  0.378145  0.094244  0.273614  1
  H  H84  1  0.920892  0.916658  0.347936  1
  H  H85  1  0.170784  0.406940  0.289314  1
  H  H86  1  0.536695  0.602020  0.289749  1
  H  H87  1  0.195847  0.817450  0.290754  1
  H  H88  1  0.623625  0.621546  0.346170  1
  H  H89  1  0.350671  0.607889  0.300027  1
  H  H90  1  0.911496  0.441847  0.329294  1
  H  H91  1  0.287697  0.364681  0.350484  1
  H  H92  1  0.740787  0.733479  0.277352  1
  H  H93  1  0.516408  0.414235  0.373670  1
  H  H94  1  0.050513  0.402869  0.302533  1
  H  H95  1  0.023635  0.488433  0.362291  1
  H  H96  1  0.469835  0.822369  0.276280  1
  H  H97  1  0.205850  0.585315  0.424426  1
  H  H98  1  0.699163  0.769276  0.384104  1
  H  H99  1  0.286008  0.988990  0.409587  1
  H  H100  1  0.867705  0.216088  0.360369  1
  H  H101  1  0.995283  0.059217  0.359506  1
  H  H102  1  0.502919  0.835971  0.406444  1
  H  H103  1  0.367487  0.975076  0.377882  1
  H  H104  1  0.871843  0.789050  0.416652  1
  H  H105  1  0.127479  0.788483  0.416244  1
  H  H106  1  0.610118  0.008893  0.370475  1
  H  H107  1  0.091999  0.139898  0.384209  1
  H  H108  1  0.675277  0.939900  0.421408  1
  H  H109  1  0.382650  0.179603  0.441193  1
  H  H110  1  0.867711  0.376598  0.394566  1
  H  H111  1  0.456459  0.583224  0.424323  1
  H  H112  1  0.962929  0.803997  0.386618  1
  H  H113  1  0.156459  0.636066  0.373948  1
  H  H114  1  0.662241  0.435341  0.421705  1
  H  H115  1  0.043834  0.388392  0.432451  1
  H  H116  1  0.526083  0.611068  0.390730  1
  H  H117  1  0.292692  0.395416  0.432213  1
  H  H118  1  0.773285  0.548891  0.393727  1
  H  H119  1  0.323877  0.742814  0.390456  1
  H  H120  1  0.840171  0.540987  0.437404  1
  H  H121  1  0.038408  0.990904  0.409311  1
  H  H122  1  0.665951  0.181749  0.373199  1
  H  H123  1  0.119650  0.370855  0.391556  1
  H  H124  1  0.631131  0.188566  0.440752  1
  H  H125  1  0.336069  0.241383  0.395873  1
  H  H126  1  0.833528  0.035756  0.435177  1
  H  H127  1  0.210199  0.983797  0.448627  1
  H  H128  1  0.719560  0.196519  0.404596  1
  H  H129  1  0.462565  0.986571  0.447780  1
  H  H130  1  0.950542  0.172577  0.406603  1
  H  H131  1  0.998581  0.133976  0.452908  1
  H  H132  1  0.501464  0.340840  0.406801  1
  H  H133  1  0.218596  0.190320  0.516102  1
  H  H134  1  0.708778  0.386593  0.471896  1
  H  H135  1  0.298763  0.580747  0.501913  1
  H  H136  1  0.796202  0.788121  0.457210  1
  H  H137  1  1.002698  0.634596  0.450865  1
  H  H138  1  0.504929  0.430830  0.498468  1
  H  H139  1  0.379248  0.587488  0.463581  1
  H  H140  1  0.882412  0.383259  0.508886  1
  H  H141  1  0.138337  0.382394  0.509485  1
  H  H142  1  0.627980  0.579371  0.464684  1
  H  H143  1  0.170622  0.736825  0.467316  1
  H  H144  1  0.673908  0.531976  0.512784  1
  H  H145  1  0.385607  0.782061  0.532892  1
  H  H146  1  0.880456  0.981506  0.486288  1
  H  H147  1  0.466934  0.180293  0.517471  1
  H  H148  1  0.965524  0.386017  0.472297  1
  H  H149  1  0.175465  0.238141  0.468731  1
  H  H150  1  0.676624  0.031609  0.514078  1
  H  H151  1  0.051250  0.980880  0.523809  1
  H  H152  1  0.548040  0.186227  0.479673  1
  H  H153  1  0.308963  0.977784  0.524056  1
  H  H154  1  0.797322  0.183235  0.479323  1
  H  H155  1  0.339749  0.336950  0.483220  1
  H  H156  1  0.839700  0.128813  0.528465  1
  H  H157  1  0.049173  0.587774  0.501456  1
  H  H158  1  0.539065  0.791165  0.456835  1
  H  H159  1  0.131750  0.981473  0.486129  1
  H  H160  1  0.636648  0.781941  0.532305  1
  H  H161  1  0.338416  0.831241  0.482451  1
  H  H162  1  0.847271  0.632986  0.527998  1
  H  H163  1  0.218183  0.582406  0.540492  1
  H  H164  1  0.714976  0.785895  0.494445  1
  H  H165  1  0.468704  0.582895  0.540049  1
  H  H166  1  0.968441  0.784522  0.494154  1
  H  H167  1  0.014278  0.735611  0.545811  1
  H  H168  1  0.509318  0.936533  0.498644  1
  H  H169  1  0.236579  0.758214  0.610009  1
  H  H170  1  0.722880  0.964707  0.565351  1
  H  H171  1  0.322791  0.154709  0.589831  1
  H  H172  1  0.805229  0.380604  0.548316  1
  H  H173  1  1.006426  0.228916  0.542481  1
  H  H174  1  0.542004  0.033812  0.590460  1
  H  H175  1  0.392504  0.182124  0.556542  1
  H  H176  1  0.883542  0.994870  0.604747  1
  H  H177  1  0.139297  0.010132  0.596259  1
  H  H178  1  0.632924  0.188280  0.556160  1
  H  H179  1  0.182709  0.337597  0.561293  1
  H  H180  1  0.677913  0.127549  0.604394  1
  H  H181  1  0.395907  0.378324  0.623824  1
  H  H182  1  0.894106  0.596645  0.575021  1
  H  H183  1  0.488944  0.812749  0.600660  1
  H  H184  1  0.973052  0.977589  0.562448  1
  H  H185  1  0.178192  0.833207  0.560245  1
  H  H186  1  0.691757  0.621088  0.600920  1
  H  H187  1  0.981989  0.569522  0.613325  1
  H  H188  1  0.562246  0.781251  0.570619  1
  H  H189  1  0.214032  0.572426  0.608456  1
  H  H190  1  0.809546  0.782401  0.572353  1
  H  H191  1  0.341766  0.931092  0.574107  1
  H  H192  1  0.863033  0.704668  0.620401  1
  H  H193  1  0.054967  0.187933  0.587411  1
  H  H194  1  0.553287  0.378175  0.549085  1
  H  H195  1  0.127226  0.595718  0.575540  1
  H  H196  1  0.575466  0.420443  0.629540  1
  H  H197  1  0.337705  0.426066  0.575829  1
  H  H198  1  0.850335  0.263998  0.612746  1
  H  H199  1  0.246399  0.125584  0.634140  1
  H  H200  1  0.729984  0.388664  0.588224  1
  H  H201  1  0.461987  0.156082  0.629997  1
  H  H202  1  0.991033  0.371940  0.583580  1
  H  H203  1  0.015230  0.392043  0.630345  1
  H  H204  1  0.518516  0.537949  0.588207  1
  H  H205  1  0.279325  0.360804  0.706580  1
  H  H206  1  0.635431  0.679058  0.636083  1
  H  H207  1  0.315332  0.796958  0.696954  1
  H  H208  1  0.730416  0.008912  0.649274  1
  H  H209  1  0.970042  0.886507  0.639210  1
  H  H210  1  0.528087  0.626689  0.708204  1
  H  H211  1  0.300553  0.758677  0.660128  1
  H  H212  1  0.825633  0.496388  0.700302  1
  H  H213  1  0.155271  0.601426  0.689046  1
  H  H214  1  0.572449  0.995905  0.642417  1
  H  H215  1  0.146058  0.906350  0.624187  1
  H  H216  1  0.780142  0.640959  0.701417  1
  H  H217  1  0.183666  0.009592  0.715384  1
  H  H218  1  0.818408  0.208207  0.643296  1
  H  H219  1  0.323932  0.449798  0.718146  1
  H  H220  1  0.929164  0.573019  0.666191  1
  H  H221  1  0.153088  0.439277  0.679608  1
  H  H222  1  0.739798  0.161561  0.693840  1
  H  H223  1  1.003696  0.316749  0.714310  1
  H  H224  1  0.508152  0.356082  0.693938  1
  H  H225  1  0.266170  0.073869  0.717008  1
  H  H226  1  0.745705  0.338489  0.695013  1
  H  H227  1  0.233223  0.486445  0.644048  1
  H  H228  1  0.959834  0.208966  0.712142  1
  H  H229  1  0.053883  0.700034  0.734687  1
  H  H230  1  0.564228  0.048987  0.687851  1
  H  H231  1  0.127662  0.185977  0.677094  1
  H  H232  1  0.536483  0.924583  0.711982  1
  H  H233  1  0.378334  0.027328  0.674686  1
  H  H234  1  0.785004  0.905016  0.699277  1
  H  H235  1  0.142156  0.735889  0.735821  1
  H  H236  1  0.628606  0.862689  0.712530  1
  H  H237  1  0.404316  0.711127  0.711347  1
  H  H238  1  0.999967  0.802393  0.686147  1
  H  H239  1  0.042184  0.948632  0.705174  1
  H  H240  1  0.480084  0.192550  0.694392  1
