# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.00220828
_cell_length_b   24.16784846
_cell_length_c   48.99020935
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.92699387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al324 H972'
_cell_volume   28258.8389832
_cell_formula_units_Z   324
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  -0.041774  0.719956  0.366408  1
  Al  Al2  1  0.291557  0.386633  0.366417  1
  Al  Al3  1  0.329387  0.733330  0.348479  1
  Al  Al4  1  0.707965  0.747476  0.333304  1
  Al  Al5  1  0.041293  0.414183  0.333229  1
  Al  Al6  1  0.374642  0.080856  0.333293  1
  Al  Al7  1  0.624893  1.053315  0.366390  1
  Al  Al8  1  0.662714  0.399998  0.348484  1
  Al  Al9  1  -0.003966  1.066669  0.348455  1
  Al  Al10  1  -0.039886  0.610440  0.358051  1
  Al  Al11  1  0.293449  0.277122  0.358051  1
  Al  Al12  1  0.331303  0.619190  0.339696  1
  Al  Al13  1  0.617476  0.619294  0.373546  1
  Al  Al14  1  -0.049187  0.285944  0.373479  1
  Al  Al15  1  0.284142  0.952618  0.373513  1
  Al  Al16  1  0.626785  0.943798  0.358042  1
  Al  Al17  1  0.664657  0.285877  0.339701  1
  Al  Al18  1  -0.002039  0.952515  0.339672  1
  Al  Al19  1  0.060302  0.877995  0.372820  1
  Al  Al20  1  0.393634  0.544654  0.372851  1
  Al  Al21  1  0.360222  0.911366  0.338477  1
  Al  Al22  1  0.723885  0.890520  0.341818  1
  Al  Al23  1  0.057197  0.557152  0.341806  1
  Al  Al24  1  0.390538  0.223837  0.341817  1
  Al  Al25  1  0.726966  0.211337  0.372866  1
  Al  Al26  1  0.693552  0.578054  0.338495  1
  Al  Al27  1  0.026895  0.244687  0.338453  1
  Al  Al28  1  0.043968  0.665903  0.339642  1
  Al  Al29  1  0.377304  0.332584  0.339654  1
  Al  Al30  1  0.383316  0.656018  0.381265  1
  Al  Al31  1  0.722049  0.660329  0.366820  1
  Al  Al32  1  0.055441  0.327022  0.366697  1
  Al  Al33  1  0.388754  0.993674  0.366753  1
  Al  Al34  1  0.710642  0.999263  0.339635  1
  Al  Al35  1  0.716639  0.322707  0.381284  1
  Al  Al36  1  0.049980  0.989355  0.381235  1
  Al  Al37  1  0.057605  0.764685  0.359047  1
  Al  Al38  1  0.390938  0.431360  0.359066  1
  Al  Al39  1  0.398840  0.811254  0.349905  1
  Al  Al40  1  0.721975  0.766534  0.385204  1
  Al  Al41  1  0.055332  0.433229  0.385121  1
  Al  Al42  1  0.388640  0.099833  0.385222  1
  Al  Al43  1  0.724284  0.098035  0.359057  1
  Al  Al44  1  0.732168  0.477920  0.349903  1
  Al  Al45  1  0.065497  0.144586  0.349894  1
  Al  Al46  1  0.023661  0.845913  0.326391  1
  Al  Al47  1  0.356990  0.512592  0.326415  1
  Al  Al48  1  0.290684  0.841155  0.358636  1
  Al  Al49  1  0.640991  0.833602  0.349218  1
  Al  Al50  1  -0.025722  0.500253  0.349191  1
  Al  Al51  1  0.307633  0.166932  0.349222  1
  Al  Al52  1  0.690345  0.179287  0.326421  1
  Al  Al53  1  0.624022  0.507834  0.358648  1
  Al  Al54  1  -0.042663  0.174492  0.358618  1
  Al  Al55  1  -0.065571  0.698210  0.419777  1
  Al  Al56  1  0.267766  0.364947  0.419788  1
  Al  Al57  1  0.278390  0.708000  0.394543  1
  Al  Al58  1  0.625200  0.726573  0.368251  1
  Al  Al59  1  -0.041451  0.393213  0.368215  1
  Al  Al60  1  0.291876  1.059893  0.368251  1
  Al  Al61  1  0.601091  1.031636  0.419758  1
  Al  Al62  1  0.611713  0.374673  0.394552  1
  Al  Al63  1  -0.054964  1.041316  0.394512  1
  Al  Al64  1  -0.059924  0.588442  0.411273  1
  Al  Al65  1  0.273438  0.255155  0.411274  1
  Al  Al66  1  0.284350  0.596232  0.389291  1
  Al  Al67  1  0.593384  0.587500  0.425139  1
  Al  Al68  1  0.926915  0.254097  0.425068  1
  Al  Al69  1  0.260155  0.920802  0.425114  1
  Al  Al70  1  0.606767  0.921833  0.411266  1
  Al  Al71  1  0.617675  0.262908  0.389282  1
  Al  Al72  1  -0.048998  0.929547  0.389265  1
  Al  Al73  1  0.022826  0.861340  0.422974  1
  Al  Al74  1  0.356150  0.528057  0.423015  1
  Al  Al75  1  0.366755  0.874522  0.395553  1
  Al  Al76  1  0.710317  0.873936  0.394049  1
  Al  Al77  1  0.043669  0.540596  0.394039  1
  Al  Al78  1  0.376992  0.207249  0.394046  1
  Al  Al79  1  0.689451  0.194754  0.423033  1
  Al  Al80  1  0.700115  0.541234  0.395554  1
  Al  Al81  1  0.033442  0.207836  0.395535  1
  Al  Al82  1  0.040676  0.649721  0.394116  1
  Al  Al83  1  0.373993  0.316397  0.394130  1
  Al  Al84  1  0.344696  0.638363  0.432461  1
  Al  Al85  1  0.689201  0.641401  0.417816  1
  Al  Al86  1  0.022662  0.308104  0.417640  1
  Al  Al87  1  0.355915  0.974766  0.417711  1
  Al  Al88  1  0.707320  0.983090  0.394108  1
  Al  Al89  1  0.678002  0.305018  0.432469  1
  Al  Al90  1  0.011374  0.971641  0.432414  1
  Al  Al91  1  0.027748  0.754249  0.411677  1
  Al  Al92  1  0.361077  0.420951  0.411694  1
  Al  Al93  1  0.375284  0.763428  0.397179  1
  Al  Al94  1  0.682478  0.744375  0.436398  1
  Al  Al95  1  0.015959  0.410974  0.436313  1
  Al  Al96  1  0.349193  0.077621  0.436437  1
  Al  Al97  1  0.694374  0.087660  0.411678  1
  Al  Al98  1  0.708595  0.430138  0.397179  1
  Al  Al99  1  0.041952  0.096749  0.397150  1
  Al  Al100  1  -0.040200  0.828266  0.369455  1
  Al  Al101  1  0.293130  0.494941  0.369484  1
  Al  Al102  1  0.270153  0.814348  0.411437  1
  Al  Al103  1  0.612426  0.812573  0.402766  1
  Al  Al104  1  -0.054203  0.479209  0.402743  1
  Al  Al105  1  0.279150  0.145883  0.402779  1
  Al  Al106  1  0.626474  0.161616  0.369485  1
  Al  Al107  1  0.603446  0.481033  0.411434  1
  Al  Al108  1  -0.063201  0.147648  0.411413  1
  Al  Al109  1  0.903717  0.667332  0.488487  1
  Al  Al110  1  0.237041  0.334152  0.488505  1
  Al  Al111  1  0.250661  0.682480  0.460601  1
  Al  Al112  1  0.588392  0.694880  0.434029  1
  Al  Al113  1  0.921885  0.361416  0.434075  1
  Al  Al114  1  0.255110  1.028159  0.434056  1
  Al  Al115  1  0.570359  1.000859  0.488498  1
  Al  Al116  1  0.584001  0.349148  0.460618  1
  Al  Al117  1  0.917307  1.015763  0.460542  1
  Al  Al118  1  0.911319  0.566770  0.469751  1
  Al  Al119  1  0.244657  0.233529  0.469792  1
  Al  Al120  1  0.257719  0.577417  0.447604  1
  Al  Al121  1  0.565812  0.553817  0.492266  1
  Al  Al122  1  0.899289  0.220411  0.492349  1
  Al  Al123  1  0.232560  0.887128  0.492333  1
  Al  Al124  1  0.577955  0.900223  0.469800  1
  Al  Al125  1  0.591043  0.244099  0.447641  1
  Al  Al126  1  0.924397  0.910677  0.447570  1
  Al  Al127  1  -0.027819  0.834935  0.484800  1
  Al  Al128  1  0.305409  0.501729  0.484852  1
  Al  Al129  1  0.322922  0.849188  0.458311  1
  Al  Al130  1  0.677174  0.852655  0.446866  1
  Al  Al131  1  0.010610  0.519232  0.446825  1
  Al  Al132  1  0.343878  0.185940  0.446859  1
  Al  Al133  1  0.638675  0.168446  0.484872  1
  Al  Al134  1  0.656332  0.515847  0.458237  1
  Al  Al135  1  -0.010368  0.182498  0.458280  1
  Al  Al136  1  -0.001925  0.628682  0.454557  1
  Al  Al137  1  0.331394  0.295438  0.454563  1
  Al  Al138  1  0.293548  0.605662  0.500106  1
  Al  Al139  1  0.645454  0.619221  0.473886  1
  Al  Al140  1  -0.021337  0.285916  0.473885  1
  Al  Al141  1  0.312082  0.952611  0.473885  1
  Al  Al142  1  0.664693  0.962155  0.454557  1
  Al  Al143  1  0.626816  0.272388  0.500191  1
  Al  Al144  1  -0.039695  0.938827  0.500033  1
  Al  Al145  1  -0.016556  0.731904  0.470281  1
  Al  Al146  1  0.316740  0.398692  0.470298  1
  Al  Al147  1  0.334979  0.743666  0.447985  1
  Al  Al148  1  0.640382  0.720193  0.492511  1
  Al  Al149  1  -0.026599  0.386817  0.492491  1
  Al  Al150  1  0.306882  1.053536  0.492542  1
  Al  Al151  1  0.650013  1.065416  0.470284  1
  Al  Al152  1  0.668364  0.410307  0.447975  1
  Al  Al153  1  0.001665  0.076967  0.447935  1
  Al  Al154  1  -0.068821  0.806034  0.432138  1
  Al  Al155  1  0.264508  0.472779  0.432151  1
  Al  Al156  1  0.242211  0.784271  0.477916  1
  Al  Al157  1  0.580431  0.793027  0.458167  1
  Al  Al158  1  0.913823  0.459627  0.458050  1
  Al  Al159  1  0.247106  0.126351  0.458126  1
  Al  Al160  1  0.597809  0.139478  0.432157  1
  Al  Al161  1  0.575605  0.450963  0.477869  1
  Al  Al162  1  0.908864  0.117595  0.477831  1
  Al  Al163  1  0.851909  0.631828  0.553405  1
  Al  Al164  1  0.185222  0.298732  0.553298  1
  Al  Al165  1  0.206797  0.643768  0.533664  1
  Al  Al166  1  0.556746  0.657254  0.506322  1
  Al  Al167  1  0.890047  0.323673  0.506768  1
  Al  Al168  1  0.223409  0.990510  0.506491  1
  Al  Al169  1  0.518529  0.965354  0.553306  1
  Al  Al170  1  0.540164  0.310423  0.533782  1
  Al  Al171  1  0.873489  0.976793  0.533528  1
  Al  Al172  1  0.865912  0.527555  0.539820  1
  Al  Al173  1  0.199034  0.194467  0.539687  1
  Al  Al174  1  0.215016  0.540484  0.517876  1
  Al  Al175  1  0.513960  0.518781  0.557932  1
  Al  Al176  1  0.847751  0.185464  0.557309  1
  Al  Al177  1  0.180731  0.852126  0.557929  1
  Al  Al178  1  0.532371  0.861106  0.539627  1
  Al  Al179  1  0.548316  0.207187  0.517917  1
  Al  Al180  1  0.881728  0.873585  0.517791  1
  Al  Al181  1  -0.064716  0.797751  0.553191  1
  Al  Al182  1  0.268757  0.464660  0.553202  1
  Al  Al183  1  0.279386  0.811752  0.529919  1
  Al  Al184  1  0.627786  0.824218  0.506689  1
  Al  Al185  1  -0.039172  0.490803  0.506647  1
  Al  Al186  1  0.294328  0.157553  0.506698  1
  Al  Al187  1  0.601983  0.131291  0.553212  1
  Al  Al188  1  0.612543  0.478518  0.529889  1
  Al  Al189  1  -0.053540  0.144941  0.529833  1
  Al  Al190  1  -0.051975  0.590707  0.526305  1
  Al  Al191  1  0.281390  0.257498  0.526297  1
  Al  Al192  1  0.261560  0.570066  0.567827  1
  Al  Al193  1  0.598671  0.579826  0.546978  1
  Al  Al194  1  -0.066885  0.246216  0.547180  1
  Al  Al195  1  0.265617  0.913055  0.547055  1
  Al  Al196  1  0.614686  0.924166  0.526265  1
  Al  Al197  1  0.594940  0.236713  0.567902  1
  Al  Al198  1  0.928262  0.903081  0.567784  1
  Al  Al199  1  -0.057132  0.693048  0.541039  1
  Al  Al200  1  0.276335  0.359888  0.541021  1
  Al  Al201  1  0.289619  0.708714  0.514622  1
  Al  Al202  1  0.590300  0.685651  0.557150  1
  Al  Al203  1  0.924818  0.352340  0.557212  1
  Al  Al204  1  0.257295  1.018956  0.557188  1
  Al  Al205  1  0.609597  1.026546  0.541016  1
  Al  Al206  1  0.622845  0.375430  0.514641  1
  Al  Al207  1  -0.043649  1.041892  0.514472  1
  Al  Al208  1  0.892680  0.770396  0.503081  1
  Al  Al209  1  0.225926  0.437219  0.503164  1
  Al  Al210  1  0.197746  0.748324  0.544885  1
  Al  Al211  1  0.544740  0.761718  0.520397  1
  Al  Al212  1  0.877997  0.428131  0.520790  1
  Al  Al213  1  0.211331  0.095004  0.520553  1
  Al  Al214  1  0.559230  0.103919  0.503182  1
  Al  Al215  1  0.531118  0.414952  0.544999  1
  Al  Al216  1  0.864371  0.081372  0.544639  1
  Al  Al217  1  0.812937  0.608763  0.604633  1
  Al  Al218  1  0.146407  0.275632  0.604515  1
  Al  Al219  1  0.159272  0.613997  0.599964  1
  Al  Al220  1  0.503591  0.623229  0.573692  1
  Al  Al221  1  0.837397  0.290126  0.572661  1
  Al  Al222  1  0.170285  0.956659  0.573471  1
  Al  Al223  1  0.479795  0.942428  0.604560  1
  Al  Al224  1  0.492678  0.280694  0.600034  1
  Al  Al225  1  0.825972  0.947056  0.599746  1
  Al  Al226  1  0.819066  0.499851  0.606389  1
  Al  Al227  1  0.152357  0.166770  0.606258  1
  Al  Al228  1  0.175359  0.509153  0.579870  1
  Al  Al229  1  0.475759  0.501596  0.609477  1
  Al  Al230  1  0.810460  0.166819  0.608515  1
  Al  Al231  1  0.142407  0.834810  0.609440  1
  Al  Al232  1  0.486089  0.833576  0.606150  1
  Al  Al233  1  0.508712  0.175827  0.579932  1
  Al  Al234  1  0.842052  0.842156  0.579943  1
  Al  Al235  1  0.904686  0.764719  0.623742  1
  Al  Al236  1  0.238043  0.431429  0.623668  1
  Al  Al237  1  0.248060  0.783191  0.592921  1
  Al  Al238  1  0.581340  0.788016  0.575398  1
  Al  Al239  1  0.914525  0.454490  0.575839  1
  Al  Al240  1  0.247856  0.121326  0.575487  1
  Al  Al241  1  0.571573  0.098015  0.623752  1
  Al  Al242  1  0.581279  0.449871  0.593036  1
  Al  Al243  1  0.915742  0.116132  0.592128  1
  Al  Al244  1  0.917307  0.558266  0.591488  1
  Al  Al245  1  0.250674  0.225004  0.591439  1
  Al  Al246  1  0.247368  0.540370  0.621418  1
  Al  Al247  1  0.574791  0.552064  0.613316  1
  Al  Al248  1  0.908633  0.217586  0.613648  1
  Al  Al249  1  0.241477  0.885183  0.613387  1
  Al  Al250  1  0.584058  0.891680  0.591461  1
  Al  Al251  1  0.580820  0.206968  0.621473  1
  Al  Al252  1  0.914051  0.873801  0.621455  1
  Al  Al253  1  0.912312  0.668369  0.597823  1
  Al  Al254  1  0.245736  0.335198  0.597656  1
  Al  Al255  1  0.246995  0.675388  0.583648  1
  Al  Al256  1  0.583093  0.661305  0.610744  1
  Al  Al257  1  0.915746  0.326812  0.610497  1
  Al  Al258  1  0.249546  0.994404  0.610679  1
  Al  Al259  1  0.579134  1.001931  0.597603  1
  Al  Al260  1  0.580685  0.342037  0.583725  1
  Al  Al261  1  0.913847  1.008378  0.583415  1
  Al  Al262  1  0.844374  0.739544  0.563381  1
  Al  Al263  1  0.177782  0.406506  0.563287  1
  Al  Al264  1  0.151108  0.722557  0.609398  1
  Al  Al265  1  0.493131  0.729100  0.588483  1
  Al  Al266  1  0.826333  0.395474  0.588321  1
  Al  Al267  1  0.159603  1.062417  0.588394  1
  Al  Al268  1  0.511024  1.073158  0.563330  1
  Al  Al269  1  0.484500  0.389318  0.609328  1
  Al  Al270  1  0.818003  1.055281  0.609428  1
  Al  Al271  1  0.795328  0.581865  0.656065  1
  Al  Al272  1  0.128578  0.249402  0.655979  1
  Al  Al273  1  0.153213  0.588687  0.653172  1
  Al  Al274  1  0.469990  0.608776  0.625838  1
  Al  Al275  1  0.803915  0.274395  0.624670  1
  Al  Al276  1  0.136900  0.942183  0.625799  1
  Al  Al277  1  0.462123  0.916345  0.656068  1
  Al  Al278  1  0.486471  0.255165  0.653241  1
  Al  Al279  1  0.820352  0.922940  0.653077  1
  Al  Al280  1  0.816561  0.475691  0.660068  1
  Al  Al281  1  0.150302  0.143327  0.659904  1
  Al  Al282  1  0.132850  0.495635  0.629419  1
  Al  Al283  1  0.447637  0.454406  0.656243  1
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  Al  Al289  1  0.825951  0.746133  0.664790  1
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  Al  Al291  1  0.226848  0.762021  0.645808  1
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  Al  Al294  1  0.238676  0.097640  0.631322  1
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  Al  Al297  1  0.893911  0.097115  0.645240  1
  Al  Al298  1  0.897211  0.537742  0.645148  1
  Al  Al299  1  0.230744  0.205393  0.645273  1
  Al  Al300  1  0.212334  0.499546  0.668549  1
  Al  Al301  1  0.516951  0.528615  0.660317  1
  Al  Al302  1  0.848935  0.196287  0.660319  1
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  Al  Al304  1  0.564217  0.872185  0.645338  1
  Al  Al305  1  0.545845  0.166120  0.668548  1
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  H  H432  1  0.147210  0.095931  0.346851  1
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  H  H434  1  0.351936  0.487814  0.282555  1
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  H  H436  1  0.748043  0.735123  0.290427  1
  H  H437  1  0.081216  0.401761  0.290367  1
  H  H438  1  0.414552  1.068401  0.290412  1
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  H  H440  1  0.736305  0.405654  0.322117  1
  H  H441  1  0.069674  1.072291  0.322119  1
  H  H442  1  0.112219  0.706450  0.315484  1
  H  H443  1  0.445543  0.373131  0.315491  1
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  H  H447  1  0.450255  1.014810  0.331937  1
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  H  H450  1  0.191495  0.087497  0.286883  1
  H  H451  1  0.113587  0.807862  0.327521  1
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  H  H453  1  0.455441  0.824593  0.311779  1
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  H  H459  1  0.122175  0.157873  0.311799  1
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