# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70096911
_cell_length_b   12.08893362
_cell_length_c   51.71734538
_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   'Al48 H144'
_cell_volume   3564.2889563
_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  0.525356  0.591049  0.375133  1
  Al  Al2  1  0.037779  0.957017  0.325644  1
  Al  Al3  1  0.549132  0.499326  0.327698  1
  Al  Al4  1  1.009353  0.712512  0.304113  1
  Al  Al5  1  0.561605  0.203562  0.334471  1
  Al  Al6  1  0.021610  0.533200  0.331422  1
  Al  Al7  1  0.521867  0.961496  0.319371  1
  Al  Al8  1  0.036332  0.746769  0.352514  1
  Al  Al9  1  1.001250  0.351096  0.359295  1
  Al  Al10  1  0.525449  0.705762  0.307862  1
  Al  Al11  1  0.048579  0.192681  0.324826  1
  Al  Al12  1  0.524115  0.796966  0.353488  1
  Al  Al13  1  0.508563  0.919438  0.493981  1
  Al  Al14  1  0.011669  0.258788  0.436454  1
  Al  Al15  1  0.507164  0.753567  0.435798  1
  Al  Al16  1  0.034549  0.079195  0.370289  1
  Al  Al17  1  0.508277  0.477902  0.452848  1
  Al  Al18  1  0.030411  0.817285  0.401087  1
  Al  Al19  1  0.501713  0.308983  0.392421  1
  Al  Al20  1  1.008866  0.975963  0.456231  1
  Al  Al21  1  1.009072  0.698348  0.473702  1
  Al  Al22  1  0.505850  0.036046  0.425420  1
  Al  Al23  1  1.004138  0.531831  0.415441  1
  Al  Al24  1  0.508462  0.202024  0.473102  1
  Al  Al25  1  0.534485  0.264825  0.613957  1
  Al  Al26  1  1.007234  0.590442  0.548465  1
  Al  Al27  1  0.511682  0.085211  0.547805  1
  Al  Al28  1  1.008567  0.424565  0.490278  1
  Al  Al29  1  0.504190  0.812164  0.568820  1
  Al  Al30  1  1.008476  0.141976  0.511161  1
  Al  Al31  1  0.509091  0.645662  0.510560  1
  Al  Al32  1  1.005893  0.307951  0.558827  1
  Al  Al33  1  1.001740  0.035010  0.591848  1
  Al  Al34  1  0.508890  0.368043  0.528028  1
  Al  Al35  1  1.008305  0.866100  0.531414  1
  Al  Al36  1  0.530557  0.526721  0.583173  1
  Al  Al37  1  0.508731  0.631606  0.680139  1
  Al  Al38  1  0.049431  0.844646  0.656564  1
  Al  Al39  1  0.537627  0.386956  0.658607  1
  Al  Al40  1  0.025603  0.752932  0.609136  1
  Al  Al41  1  0.548468  0.151366  0.659423  1
  Al  Al42  1  0.024125  0.547040  0.630783  1
  Al  Al43  1  0.501312  0.992923  0.624958  1
  Al  Al44  1  0.024954  0.638237  0.676405  1
  Al  Al45  1  0.021554  0.382494  0.664887  1
  Al  Al46  1  0.536403  0.597229  0.631748  1
  Al  Al47  1  0.061624  0.140478  0.649778  1
  Al  Al48  1  0.521965  0.810850  0.652823  1
  H  H49  1  0.899524  0.529185  0.373760  1
  H  H50  1  0.373979  0.940514  0.279494  1
  H  H51  1  0.760299  0.214617  0.370197  1
  H  H52  1  0.125306  0.554523  0.287344  1
  H  H53  1  0.179396  0.939153  0.282649  1
  H  H54  1  0.739787  0.647158  0.339640  1
  H  H55  1  0.277974  0.475490  0.358518  1
  H  H56  1  0.735640  0.805027  0.280572  1
  H  H57  1  0.658799  0.422061  0.364444  1
  H  H58  1  0.271581  0.824373  0.319450  1
  H  H59  1  0.308469  0.733344  0.271753  1
  H  H60  1  0.799961  0.482550  0.295540  1
  H  H61  1  0.774781  0.066897  0.339893  1
  H  H62  1  0.270026  0.474500  0.297323  1
  H  H63  1  0.167903  0.136595  0.287131  1
  H  H64  1  0.779966  0.833452  0.321144  1
  H  H65  1  0.741971  0.149406  0.298200  1
  H  H66  1  0.209155  0.906502  0.365604  1
  H  H67  1  0.374925  0.125497  0.298431  1
  H  H68  1  0.757569  0.728154  0.382728  1
  H  H69  1  0.567839  0.973875  0.363484  1
  H  H70  1  0.997284  0.235772  0.278782  1
  H  H71  1  0.791579  0.014698  0.292919  1
  H  H72  1  0.323793  0.639282  0.340307  1
  H  H73  1  0.400900  0.349986  0.349022  1
  H  H74  1  0.743017  0.670219  0.274379  1
  H  H75  1  0.939380  0.308357  0.272974  1
  H  H76  1  0.310126  0.072253  0.341678  1
  H  H77  1  0.136594  0.368290  0.314931  1
  H  H78  1  0.681391  0.065961  0.388370  1
  H  H79  1  0.777167  0.340783  0.319337  1
  H  H80  1  0.134341  0.743990  0.264117  1
  H  H81  1  0.273971  0.221321  0.362361  1
  H  H82  1  0.612522  0.557658  0.284734  1
  H  H83  1  0.371043  0.272198  0.303376  1
  H  H84  1  0.861916  0.907010  0.366443  1
  H  H85  1  0.887593  0.864462  0.489181  1
  H  H86  1  0.389204  0.209502  0.430747  1
  H  H87  1  0.754293  0.561859  0.481848  1
  H  H88  1  0.264342  0.895028  0.429404  1
  H  H89  1  0.119868  0.242447  0.394126  1
  H  H90  1  0.642458  0.913834  0.453014  1
  H  H91  1  0.262443  0.836794  0.465051  1
  H  H92  1  0.741461  0.177985  0.411209  1
  H  H93  1  0.632310  0.754403  0.478286  1
  H  H94  1  0.122677  0.088407  0.423741  1
  H  H95  1  0.388067  0.125249  0.388686  1
  H  H96  1  0.884035  0.809633  0.441730  1
  H  H97  1  0.883206  0.424187  0.448478  1
  H  H98  1  0.395908  0.761301  0.393869  1
  H  H99  1  0.253497  0.445975  0.388969  1
  H  H100  1  0.770347  0.119042  0.447795  1
  H  H101  1  0.627142  0.476355  0.410111  1
  H  H102  1  0.132644  0.146129  0.469191  1
  H  H103  1  0.263424  0.393197  0.423625  1
  H  H104  1  0.755829  0.059989  0.483587  1
  H  H105  1  0.626442  0.309845  0.438065  1
  H  H106  1  0.160921  0.647208  0.386555  1
  H  H107  1  0.879903  0.361081  0.402154  1
  H  H108  1  0.368986  0.037135  0.463808  1
  H  H109  1  0.384760  0.642943  0.468297  1
  H  H110  1  0.875949  0.979431  0.414159  1
  H  H111  1  0.762036  0.669970  0.408950  1
  H  H112  1  0.261055  0.341243  0.463336  1
  H  H113  1  0.136798  0.695552  0.431927  1
  H  H114  1  0.630879  0.369338  0.485810  1
  H  H115  1  0.761159  0.615642  0.444585  1
  H  H116  1  0.265704  0.968487  0.394983  1
  H  H117  1  0.133724  0.533644  0.457473  1
  H  H118  1  0.644511  0.877705  0.406640  1
  H  H119  1  0.391393  0.586870  0.419356  1
  H  H120  1  0.883588  0.255779  0.477561  1
  H  H121  1  0.888037  0.218746  0.595560  1
  H  H122  1  0.384105  0.534377  0.542532  1
  H  H123  1  0.753555  0.898021  0.595289  1
  H  H124  1  0.270395  0.224959  0.536460  1
  H  H125  1  0.132318  0.589606  0.505975  1
  H  H126  1  0.622704  0.255597  0.560514  1
  H  H127  1  0.241478  0.166018  0.573051  1
  H  H128  1  0.762476  0.507215  0.519210  1
  H  H129  1  0.619917  0.101561  0.590129  1
  H  H130  1  0.142515  0.430191  0.531243  1
  H  H131  1  0.387592  0.479552  0.495081  1
  H  H132  1  0.889240  0.134484  0.553514  1
  H  H133  1  0.891474  0.757134  0.564910  1
  H  H134  1  0.383580  0.088212  0.506699  1
  H  H135  1  0.254300  0.782143  0.502414  1
  H  H136  1  0.764410  0.448977  0.554851  1
  H  H137  1  0.633756  0.810365  0.526788  1
  H  H138  1  0.144631  0.466277  0.577614  1
  H  H139  1  0.261199  0.728364  0.539678  1
  H  H140  1  0.765773  0.375506  0.589270  1
  H  H141  1  0.636899  0.648463  0.552334  1
  H  H142  1  0.130873  0.974662  0.498450  1
  H  H143  1  0.884782  0.701063  0.515966  1
  H  H144  1  0.375986  0.364585  0.570100  1
  H  H145  1  0.379907  0.982906  0.582103  1
  H  H146  1  0.868969  0.306859  0.520444  1
  H  H147  1  0.761069  1.002753  0.520924  1
  H  H148  1  0.262164  0.674005  0.575316  1
  H  H149  1  0.126454  0.034156  0.546197  1
  H  H150  1  0.661086  0.696803  0.597706  1
  H  H151  1  0.763460  0.950808  0.560637  1
  H  H152  1  0.255830  0.284015  0.500674  1
  H  H153  1  0.127202  0.867643  0.574153  1
  H  H154  1  0.632654  0.197867  0.515069  1
  H  H155  1  0.383238  0.919808  0.535783  1
  H  H156  1  0.896067  0.582674  0.590394  1
  H  H157  1  0.807736  0.610370  0.712505  1
  H  H158  1  0.300457  0.861210  0.688722  1
  H  H159  1  0.667715  0.207261  0.697131  1
  H  H160  1  0.279746  0.510491  0.663139  1
  H  H161  1  0.158906  0.921945  0.619817  1
  H  H162  1  0.771198  0.519652  0.664829  1
  H  H163  1  0.235058  0.538948  0.703685  1
  H  H164  1  0.778363  0.868629  0.625730  1
  H  H165  1  0.679106  0.404720  0.701609  1
  H  H166  1  0.240063  0.696767  0.644676  1
  H  H167  1  0.399713  0.814785  0.610500  1
  H  H168  1  0.873620  0.403330  0.704765  1
  H  H169  1  0.871055  0.072130  0.680905  1
  H  H170  1  0.361912  0.437020  0.617816  1
  H  H171  1  0.260340  0.129391  0.614056  1
  H  H172  1  0.627207  0.789322  0.696868  1
  H  H173  1  0.773971  0.122722  0.621895  1
  H  H174  1  0.112939  0.786187  0.699548  1
  H  H175  1  0.277111  1.003276  0.664925  1
  H  H176  1  0.633619  0.599983  0.720134  1
  H  H177  1  0.636559  0.975789  0.669331  1
  H  H178  1  0.181272  0.278048  0.595884  1
  H  H179  1  0.900870  0.994013  0.635269  1
  H  H180  1  0.242296  0.673673  0.709910  1
  H  H181  1  0.291375  0.329281  0.691336  1
  H  H182  1  0.823912  0.704740  0.643934  1
  H  H183  1  0.810042  0.271736  0.642562  1
  H  H184  1  0.438990  0.035694  0.711278  1
  H  H185  1  0.067817  0.370149  0.620773  1
  H  H186  1  0.497205  0.108187  0.705493  1
  H  H187  1  0.874822  0.218456  0.685822  1
  H  H188  1  0.257654  0.615793  0.601539  1
  H  H189  1  0.241976  0.194736  0.686055  1
  H  H190  1  0.709203  0.437493  0.618658  1
  H  H191  1  0.274604  0.277176  0.644347  1
  H  H192  1  0.770375  0.869954  0.686909  1
