# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88635739
_cell_length_b   15.07500294
_cell_length_c   48.13165088
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.81961504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al96 H288'
_cell_volume   6748.47284404
_cell_formula_units_Z   96
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  0.868259  0.029029  0.307106  1
  Al  Al2  1  0.992608  0.498427  0.316366  1
  Al  Al3  1  0.636005  0.880421  0.309032  1
  Al  Al4  1  0.986177  0.278607  0.310585  1
  Al  Al5  1  0.146099  0.124066  0.307227  1
  Al  Al6  1  0.450394  0.702147  0.321494  1
  Al  Al7  1  0.101897  0.931431  0.298519  1
  Al  Al8  1  0.276960  0.360486  0.323097  1
  Al  Al9  1  0.374674  0.895166  0.307939  1
  Al  Al10  1  0.716493  0.398218  0.318088  1
  Al  Al11  1  0.367059  0.067322  0.302362  1
  Al  Al12  1  0.702724  0.583854  0.320578  1
  Al  Al13  1  0.232462  0.984570  0.346831  1
  Al  Al14  1  0.499256  0.467197  0.362903  1
  Al  Al15  1  0.136223  0.767096  0.325350  1
  Al  Al16  1  0.337560  0.207335  0.347088  1
  Al  Al17  1  0.651060  0.136951  0.347561  1
  Al  Al18  1  0.888381  0.619525  0.374312  1
  Al  Al19  1  0.537095  0.912834  0.354914  1
  Al  Al20  1  0.768817  0.382607  0.369330  1
  Al  Al21  1  0.860885  0.852727  0.330533  1
  Al  Al22  1  0.059821  0.310197  0.361944  1
  Al  Al23  1  0.985067  0.094713  0.354507  1
  Al  Al24  1  0.184416  0.542525  0.369808  1
  Al  Al25  1  0.728704  0.945107  0.396524  1
  Al  Al26  1  0.963377  0.429509  0.430157  1
  Al  Al27  1  0.605573  0.701254  0.382411  1
  Al  Al28  1  0.834589  0.186320  0.415161  1
  Al  Al29  1  0.137238  0.108204  0.413722  1
  Al  Al30  1  0.375516  0.582890  0.437951  1
  Al  Al31  1  0.006888  0.860193  0.398326  1
  Al  Al32  1  0.252881  0.345840  0.422474  1
  Al  Al33  1  0.306186  0.778980  0.388361  1
  Al  Al34  1  0.552408  0.268403  0.419438  1
  Al  Al35  1  0.433440  0.035114  0.408273  1
  Al  Al36  1  0.667089  0.506931  0.433639  1
  Al  Al37  1  0.203429  0.901815  0.459805  1
  Al  Al38  1  0.443680  0.387773  0.488154  1
  Al  Al39  1  0.083865  0.663728  0.443425  1
  Al  Al40  1  0.324900  0.147190  0.473999  1
  Al  Al41  1  0.617403  0.063998  0.469083  1
  Al  Al42  1  0.857902  0.545561  0.498780  1
  Al  Al43  1  0.496824  0.822730  0.452500  1
  Al  Al44  1  0.737083  0.307293  0.483548  1
  Al  Al45  1  0.789080  0.741207  0.448731  1
  Al  Al46  1  0.030887  0.227486  0.479003  1
  Al  Al47  1  0.908044  0.983077  0.464420  1
  Al  Al48  1  0.152852  0.466735  0.493190  1
  Al  Al49  1  0.684531  0.860852  0.518044  1
  Al  Al50  1  0.928399  0.349216  0.547511  1
  Al  Al51  1  0.565070  0.624397  0.503509  1
  Al  Al52  1  0.805634  0.104048  0.531704  1
  Al  Al53  1  0.097590  0.022628  0.527666  1
  Al  Al54  1  0.342909  0.508239  0.558773  1
  Al  Al55  1  0.977891  0.781208  0.513175  1
  Al  Al56  1  0.222168  0.267780  0.542089  1
  Al  Al57  1  0.274052  0.702701  0.508133  1
  Al  Al58  1  0.512640  0.186781  0.537007  1
  Al  Al59  1  0.392775  0.940886  0.522398  1
  Al  Al60  1  0.633407  0.427412  0.552633  1
  Al  Al61  1  0.168038  0.823041  0.577246  1
  Al  Al62  1  0.410282  0.307299  0.608157  1
  Al  Al63  1  0.050778  0.583457  0.562319  1
  Al  Al64  1  0.289351  0.060721  0.586385  1
  Al  Al65  1  0.586210  0.987416  0.586118  1
  Al  Al66  1  0.832539  0.466605  0.624071  1
  Al  Al67  1  0.463459  0.742164  0.574206  1
  Al  Al68  1  0.700999  0.231060  0.596864  1
  Al  Al69  1  0.754972  0.662825  0.569972  1
  Al  Al70  1  1.000118  0.154235  0.594580  1
  Al  Al71  1  0.869774  0.901069  0.579100  1
  Al  Al72  1  0.129501  0.385871  0.610250  1
  Al  Al73  1  0.676419  0.797537  0.642142  1
  Al  Al74  1  0.815961  0.202700  0.659361  1
  Al  Al75  1  0.540110  0.546202  0.626124  1
  Al  Al76  1  0.780124  0.011521  0.656292  1
  Al  Al77  1  0.144140  0.920327  0.665592  1
  Al  Al78  1  0.059504  0.339856  0.675078  1
  Al  Al79  1  0.960043  0.718962  0.635742  1
  Al  Al80  1  0.174286  0.181638  0.656499  1
  Al  Al81  1  0.225561  0.628143  0.633344  1
  Al  Al82  1  0.443302  0.092627  0.655829  1
  Al  Al83  1  0.373134  0.870426  0.639172  1
  Al  Al84  1  0.562110  0.347132  0.667363  1
  Al  Al85  1  0.176720  0.754433  0.676254  1
  Al  Al86  1  0.384911  0.199264  0.694989  1
  Al  Al87  1  0.991456  0.498973  0.677372  1
  Al  Al88  1  0.333468  0.019372  0.705442  1
  Al  Al89  1  0.567227  0.953071  0.696990  1
  Al  Al90  1  0.782762  0.329097  0.695784  1
  Al  Al91  1  0.429975  0.739993  0.669204  1
  Al  Al92  1  0.611464  0.137235  0.706868  1
  Al  Al93  1  0.776931  0.587331  0.665444  1
  Al  Al94  1  0.008371  0.067876  0.693896  1
  Al  Al95  1  0.851869  0.890846  0.685450  1
  Al  Al96  1  0.890837  0.202181  0.711917  1
  H  H97  1  0.840151  0.886098  0.283414  1
  H  H98  1  0.655612  0.415886  0.273080  1
  H  H99  1  0.180310  0.817234  0.280043  1
  H  H100  1  0.360823  0.255902  0.302241  1
  H  H101  1  0.298223  0.861820  0.351417  1
  H  H102  1  0.124130  0.414138  0.294245  1
  H  H103  1  0.954321  0.774698  0.299603  1
  H  H104  1  0.895474  0.382099  0.284669  1
  H  H105  1  0.743751  0.961443  0.272477  1
  H  H106  1  0.587607  0.349845  0.279430  1
  H  H107  1  0.989607  0.903881  0.264140  1
  H  H108  1  0.173058  0.268893  0.282994  1
  H  H109  1  0.523117  0.198200  0.319604  1
  H  H110  1  0.050848  0.608308  0.279694  1
  H  H111  1  0.498356  -0.000393  0.277603  1
  H  H112  1  0.801048  0.512222  0.289265  1
  H  H113  1  0.203345  0.062074  0.268225  1
  H  H114  1  0.524215  0.606701  0.298382  1
  H  H115  1  0.025395  0.033657  0.270478  1
  H  H116  1  0.261126  0.580703  0.305643  1
  H  H117  1  0.028163  0.991390  0.331079  1
  H  H118  1  0.053459  0.545831  0.271875  1
  H  H119  1  0.290801  0.945790  0.269286  1
  H  H120  1  0.513364  0.447796  0.314238  1
  H  H121  1  0.489415  0.838635  0.272645  1
  H  H122  1  0.305265  0.334553  0.281743  1
  H  H123  1  0.989459  0.163855  0.277843  1
  H  H124  1  0.743585  0.600837  0.274413  1
  H  H125  1  0.795403  0.301897  0.286912  1
  H  H126  1  0.793072  0.670769  0.280799  1
  H  H127  1  0.452713  0.168640  0.266626  1
  H  H128  1  0.682155  0.733225  0.305059  1
  H  H129  1  0.542653  0.153080  0.272047  1
  H  H130  1  0.284446  0.741673  0.292942  1
  H  H131  1  0.858601  0.155822  0.281015  1
  H  H132  1  0.527635  0.766702  0.278533  1
  H  H133  1  0.357133  0.930763  0.378663  1
  H  H134  1  0.143409  0.442371  0.336045  1
  H  H135  1  0.625801  0.792732  0.346423  1
  H  H136  1  0.825168  0.247929  0.371365  1
  H  H137  1  0.796089  0.834999  0.376826  1
  H  H138  1  0.539940  0.336715  0.346523  1
  H  H139  1  0.537757  0.820417  0.390140  1
  H  H140  1  0.306778  0.338424  0.366093  1
  H  H141  1  0.140588  0.835337  0.366686  1
  H  H142  1  0.894601  0.355832  0.336391  1
  H  H143  1  0.353671  0.781563  0.342820  1
  H  H144  1  0.573174  0.250140  0.369939  1
  H  H145  1  0.793605  0.092466  0.378187  1
  H  H146  1  0.538637  0.608760  0.345241  1
  H  H147  1  1.001018  0.944662  0.362752  1
  H  H148  1  0.258312  0.423610  0.381389  1
  H  H149  1  0.652124  0.054228  0.305713  1
  H  H150  1  0.961843  0.510307  0.359067  1
  H  H151  1  0.473890  0.021287  0.334592  1
  H  H152  1  0.726564  0.502121  0.353135  1
  H  H153  1  0.611412  0.036392  0.381333  1
  H  H154  1  0.344990  0.517144  0.336976  1
  H  H155  1  0.772618  0.967772  0.348187  1
  H  H156  1  0.997861  0.418268  0.384050  1
  H  H157  1  0.965313  0.769139  0.356651  1
  H  H158  1  0.718046  0.243555  0.311606  1
  H  H159  1  0.425762  0.100754  0.365196  1
  H  H160  1  0.195020  0.621967  0.325989  1
  H  H161  1  0.129158  0.224215  0.335676  1
  H  H162  1  0.379672  0.670945  0.365748  1
  H  H163  1  0.850354  0.153004  0.329443  1
  H  H164  1  0.126846  0.672700  0.363276  1
  H  H165  1  0.018430  0.185226  0.390186  1
  H  H166  1  0.776559  0.700857  0.349959  1
  H  H167  1  0.189950  0.097787  0.370805  1
  H  H168  1  0.941024  0.631399  0.324958  1
  H  H169  1  0.848287  0.881806  0.427595  1
  H  H170  1  0.606556  0.406287  0.396668  1
  H  H171  1  0.069580  0.726760  0.400656  1
  H  H172  1  0.319607  0.220245  0.432601  1
  H  H173  1  0.272905  0.793375  0.435230  1
  H  H174  1  0.027923  0.319048  0.407740  1
  H  H175  1  0.021696  0.792216  0.438183  1
  H  H176  1  0.781596  0.318163  0.409347  1
  H  H177  1  0.658644  0.803458  0.421058  1
  H  H178  1  0.425790  0.333101  0.392688  1
  H  H179  1  0.824526  0.725492  0.401835  1
  H  H180  1  0.061998  0.218703  0.432876  1
  H  H181  1  0.272114  0.045106  0.438823  1
  H  H182  1  0.035389  0.568608  0.405162  1
  H  H183  1  0.489607  0.897940  0.412032  1
  H  H184  1  0.728796  0.378684  0.441987  1
  H  H185  1  0.204429  0.992438  0.393734  1
  H  H186  1  0.446621  0.477512  0.413971  1
  H  H187  1  0.959539  -0.000390  0.391855  1
  H  H188  1  0.194754  0.477227  0.414399  1
  H  H189  1  0.065925  0.963570  0.433887  1
  H  H190  1  0.829573  0.492626  0.403103  1
  H  H191  1  0.238988  0.890200  0.413703  1
  H  H192  1  0.475601  0.377140  0.441414  1
  H  H193  1  0.443736  0.719532  0.415712  1
  H  H194  1  0.205815  0.242017  0.386753  1
  H  H195  1  0.898646  0.055340  0.423052  1
  H  H196  1  0.661836  0.572870  0.389883  1
  H  H197  1  0.618821  0.164953  0.395362  1
  H  H198  1  0.861065  0.635319  0.424341  1
  H  H199  1  0.367827  0.161395  0.397855  1
  H  H200  1  0.607700  0.635164  0.425220  1
  H  H201  1  0.488427  0.132156  0.443155  1
  H  H202  1  0.233724  0.637775  0.409762  1
  H  H203  1  0.656465  0.050004  0.423615  1
  H  H204  1  0.409666  0.568353  0.389321  1
  H  H205  1  0.343538  0.841713  0.485565  1
  H  H206  1  0.103531  0.368311  0.456004  1
  H  H207  1  0.555547  0.692789  0.460982  1
  H  H208  1  0.797301  0.175916  0.490797  1
  H  H209  1  0.755315  0.752643  0.495494  1
  H  H210  1  0.514665  0.279289  0.465982  1
  H  H211  1  0.505656  0.753299  0.495100  1
  H  H212  1  0.263561  0.277024  0.465307  1
  H  H213  1  0.135240  0.761104  0.481174  1
  H  H214  1  0.893391  0.287179  0.452058  1
  H  H215  1  0.306636  0.692523  0.460589  1
  H  H216  1  0.548181  0.175187  0.491165  1
  H  H217  1  0.750803  0.001584  0.495443  1
  H  H218  1  0.512529  0.526529  0.465642  1
  H  H219  1  0.968125  0.852319  0.471733  1
  H  H220  1  0.211970  0.336817  0.500702  1
  H  H221  1  0.687286  0.954704  0.444982  1
  H  H222  1  0.928615  0.437043  0.476445  1
  H  H223  1  0.436095  0.954118  0.447501  1
  H  H224  1  0.677467  0.437265  0.475604  1
  H  H225  1  0.548403  0.920921  0.490381  1
  H  H226  1  0.304911  0.444130  0.460150  1
  H  H227  1  0.717562  0.850896  0.471228  1
  H  H228  1  0.961223  0.337039  0.500956  1
  H  H229  1  0.926848  0.682988  0.475854  1
  H  H230  1  0.682840  0.205082  0.447018  1
  H  H231  1  0.383864  0.014697  0.481548  1
  H  H232  1  0.145094  0.536386  0.451372  1
  H  H233  1  0.098494  0.115341  0.458605  1
  H  H234  1  0.344230  0.595229  0.485289  1
  H  H235  1  0.851107  0.115747  0.456652  1
  H  H236  1  0.091544  0.595381  0.485683  1
  H  H237  1  0.962353  0.084740  0.500569  1
  H  H238  1  0.719666  0.603489  0.471107  1
  H  H239  1  0.133802  0.013335  0.481588  1
  H  H240  1  0.891159  0.537729  0.451664  1
  H  H241  1  0.816792  0.797031  0.545006  1
  H  H242  1  0.579992  0.327754  0.515210  1
  H  H243  1  0.040556  0.653292  0.520920  1
  H  H244  1  0.279221  0.135295  0.547578  1
  H  H245  1  0.240610  0.713516  0.555241  1
  H  H246  1  0.996474  0.237492  0.525067  1
  H  H247  1  0.986389  0.712357  0.555348  1
  H  H248  1  0.747472  0.236236  0.524551  1
  H  H249  1  0.616748  0.721591  0.541600  1
  H  H250  1  0.377060  0.247942  0.510334  1
  H  H251  1  0.786757  0.651755  0.521998  1
  H  H252  1  0.030771  0.135557  0.548780  1
  H  H253  1  0.231199  0.957423  0.552815  1
  H  H254  1  0.996419  0.486813  0.525506  1
  H  H255  1  0.452333  0.811158  0.531425  1
  H  H256  1  0.695182  0.299509  0.557334  1
  H  H257  1  0.168275  0.912014  0.505585  1
  H  H258  1  0.411767  0.399621  0.535172  1
  H  H259  1  0.917418  0.911485  0.505563  1
  H  H260  1  0.163014  0.398481  0.535137  1
  H  H261  1  0.029993  0.880814  0.549579  1
  H  H262  1  0.788627  0.406721  0.520900  1
  H  H263  1  0.202307  0.809888  0.530640  1
  H  H264  1  0.444885  0.296492  0.560766  1
  H  H265  1  0.412607  0.646355  0.536374  1
  H  H266  1  0.167719  0.165768  0.505596  1
  H  H267  1  0.864799  0.973049  0.538926  1
  H  H268  1  0.624968  0.495399  0.510864  1
  H  H269  1  0.581160  0.074402  0.514914  1
  H  H270  1  0.825817  0.555924  0.546256  1
  H  H271  1  0.332232  0.073181  0.514950  1
  H  H272  1  0.575348  0.557508  0.545999  1
  H  H273  1  0.452153  0.044798  0.557737  1
  H  H274  1  0.207319  0.564997  0.530788  1
  H  H275  1  0.616481  0.971686  0.539688  1
  H  H276  1  0.374500  0.495413  0.511284  1
  H  H277  1  0.297484  0.759426  0.602925  1
  H  H278  1  0.068704  0.290818  0.573085  1
  H  H279  1  0.523762  0.613072  0.582877  1
  H  H280  1  0.766818  0.102265  0.605266  1
  H  H281  1  0.724282  0.683127  0.617930  1
  H  H282  1  0.474275  0.199207  0.582861  1
  H  H283  1  0.461633  0.660510  0.615627  1
  H  H284  1  0.233487  0.196404  0.582635  1
  H  H285  1  0.091212  0.679857  0.599960  1
  H  H286  1  0.859327  0.207455  0.567333  1
  H  H287  1  0.269133  0.612708  0.583002  1
  H  H288  1  0.504224  0.096127  0.607022  1
  H  H289  1  0.729561  0.929971  0.614412  1
  H  H290  1  0.479540  0.449949  0.586216  1
  H  H291  1  0.938094  0.773686  0.590555  1
  H  H292  1  0.182919  0.257519  0.617151  1
  H  H293  1  0.648190  0.873889  0.564308  1
  H  H294  1  0.895727  0.362480  0.594770  1
  H  H295  1  0.403278  0.872750  0.565019  1
  H  H296  1  0.647455  0.364742  0.595130  1
  H  H297  1  0.544002  0.853259  0.608536  1
  H  H298  1  0.284867  0.369129  0.579484  1
  H  H299  1  0.683486  0.771725  0.592621  1
  H  H300  1  0.914747  0.260751  0.615338  1
  H  H301  1  0.905775  0.606563  0.596336  1
  H  H302  1  0.647696  0.124355  0.562819  1
  H  H303  1  0.354011  0.933843  0.597173  1
  H  H304  1  0.111066  0.456446  0.570264  1
  H  H305  1  0.060862  0.034240  0.573874  1
  H  H306  1  0.312144  0.522121  0.607440  1
  H  H307  1  0.818233  0.036088  0.573145  1
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  H  H309  1  0.900868  0.005138  0.613832  1
  H  H310  1  0.684782  0.520378  0.590963  1
  H  H311  1  0.092357  0.936462  0.597408  1
  H  H312  1  0.857158  0.455306  0.572607  1
  H  H313  1  0.806755  0.738779  0.670071  1
  H  H314  1  0.549232  0.240422  0.630706  1
  H  H315  1  0.995838  0.591328  0.645057  1
  H  H316  1  0.223964  0.070448  0.673817  1
  H  H317  1  0.214254  0.617393  0.681371  1
  H  H318  1  0.953301  0.129120  0.639170  1
  H  H319  1  0.971326  0.633995  0.694780  1
  H  H320  1  0.654093  0.128286  0.629853  1
  H  H321  1  0.581915  0.648825  0.663334  1
  H  H322  1  0.315666  0.148012  0.623999  1
  H  H323  1  0.772469  0.592266  0.620696  1
  H  H324  1  0.027649  0.020055  0.650315  1
  H  H325  1  0.179195  0.868077  0.709598  1
  H  H326  1  0.020053  0.430671  0.639580  1
  H  H327  1  0.445018  0.750798  0.623477  1
  H  H328  1  0.606979  0.223147  0.672168  1
  H  H329  1  0.138702  0.854674  0.623041  1
  H  H330  1  0.285630  0.344539  0.665484  1
  H  H331  1  0.876985  0.825790  0.617783  1
  H  H332  1  0.042263  0.261537  0.637104  1
  H  H333  1  0.976162  0.787228  0.680266  1
  H  H334  1  0.726613  0.310916  0.636568  1
  H  H335  1  0.182249  0.755493  0.630749  1
  H  H336  1  0.395627  0.233332  0.648514  1
  H  H337  1  0.387729  0.581431  0.657434  1
  H  H338  1  0.133718  0.082125  0.618558  1
  H  H339  1  0.928873  0.892577  0.642531  1
  H  H340  1  0.592999  0.418634  0.627939  1
  H  H341  1  0.557414  0.000082  0.632497  1
  H  H342  1  0.765853  0.449491  0.669449  1
  H  H343  1  0.282097  0.989752  0.629051  1
  H  H344  1  0.537559  0.489746  0.669985  1
  H  H345  1  0.375365  0.942852  0.674296  1
  H  H346  1  0.190267  0.478846  0.652956  1
  H  H347  1  0.579299  0.886508  0.659568  1
  H  H348  1  0.345290  0.415650  0.632577  1
  H  H349  1  0.237497  0.725700  0.722560  1
  H  H350  1  0.068321  0.212804  0.688439  1
  H  H351  1  0.426534  0.588923  0.708238  1
  H  H352  1  0.618774  0.042521  0.740751  1
  H  H353  1  0.697049  0.559829  0.710507  1
  H  H354  1  0.436490  0.139043  0.736170  1
  H  H355  1  0.440196  0.657345  0.709702  1
  H  H356  1  0.207137  0.112271  0.723655  1
  H  H357  1  0.126372  0.693244  0.720471  1
  H  H358  1  0.782903  0.054569  0.702867  1
  H  H359  1  0.151924  0.461877  0.702624  1
  H  H360  1  0.355321  0.970535  0.748841  1
  H  H361  1  0.610108  0.877086  0.736831  1
  H  H362  1  0.400710  0.347155  0.702472  1
  H  H363  1  0.854452  0.795411  0.723653  1
  H  H364  1  0.997120  0.131707  0.735000  1
  H  H365  1  0.634926  0.785707  0.693925  1
  H  H366  1  0.736042  0.254418  0.739802  1
  H  H367  1  0.384076  0.811380  0.706436  1
  H  H368  1  0.574780  0.275267  0.723698  1
  H  H369  1  0.496200  0.858327  0.734742  1
  H  H370  1  0.280126  0.293610  0.715381  1
  H  H371  1  0.712068  0.630275  0.707295  1
  H  H372  1  0.732441  0.118949  0.745507  1
  H  H373  1  0.873083  0.469512  0.716112  1
  H  H374  1  0.630259  0.069869  0.667747  1
  H  H375  1  0.272385  0.912274  0.741073  1
  H  H376  1  0.012072  0.409476  0.715565  1
  H  H377  1  0.073565  0.944766  0.710593  1
  H  H378  1  0.127192  0.297185  0.718095  1
  H  H379  1  0.756292  0.930434  0.724526  1
  H  H380  1  0.869627  0.317003  0.739622  1
  H  H381  1  0.911912  0.962685  0.727241  1
  H  H382  1  0.667174  0.427768  0.706631  1
  H  H383  1  0.932004  0.770783  0.728821  1
  H  H384  1  0.877928  0.361085  0.653324  1
