# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71374705
_cell_length_b   23.04636078
_cell_length_c   49.70826794
_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   'Al90 H270'
_cell_volume   6545.63821024
_cell_formula_units_Z   90
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  0.995228  0.456838  0.331725  1
  Al  Al2  1  0.675469  0.779193  0.316911  1
  Al  Al3  1  0.995686  0.177339  0.303853  1
  Al  Al4  1  0.828562  0.279193  0.316911  1
  Al  Al5  1  0.508345  0.677339  0.303853  1
  Al  Al6  1  0.508804  0.956838  0.331725  1
  Al  Al7  1  0.495634  0.574399  0.322872  1
  Al  Al8  1  0.995662  0.959444  0.321836  1
  Al  Al9  1  1.005395  0.208303  0.353749  1
  Al  Al10  1  0.508369  0.459444  0.321836  1
  Al  Al11  1  0.498636  0.708303  0.353749  1
  Al  Al12  1  1.008398  0.074399  0.322872  1
  Al  Al13  1  0.467813  0.331111  0.339411  1
  Al  Al14  1  0.997664  0.695771  0.314579  1
  Al  Al15  1  0.525297  0.077425  0.312518  1
  Al  Al16  1  0.978735  0.577425  0.312518  1
  Al  Al17  1  0.036218  0.831111  0.339411  1
  Al  Al18  1  0.506368  0.195771  0.314579  1
  Al  Al19  1  0.500373  0.372332  0.424548  1
  Al  Al20  1  0.995277  0.739256  0.394127  1
  Al  Al21  1  0.509967  0.094412  0.362833  1
  Al  Al22  1  0.508754  0.239256  0.394127  1
  Al  Al23  1  0.994065  0.594412  0.362833  1
  Al  Al24  1  1.003658  0.872332  0.424548  1
  Al  Al25  1  0.998310  0.492806  0.416681  1
  Al  Al26  1  0.500067  0.864935  0.378750  1
  Al  Al27  1  0.504503  0.130837  0.445473  1
  Al  Al28  1  1.003964  0.364935  0.378750  1
  Al  Al29  1  0.999528  0.630837  0.445473  1
  Al  Al30  1  0.505721  0.992806  0.416681  1
  Al  Al31  1  1.005197  0.252261  0.434833  1
  Al  Al32  1  0.498125  0.615396  0.407454  1
  Al  Al33  1  0.009739  0.982291  0.371991  1
  Al  Al34  1  0.494293  0.482291  0.371991  1
  Al  Al35  1  0.498835  0.752261  0.434833  1
  Al  Al36  1  1.005907  0.115396  0.407454  1
  Al  Al37  1  1.002890  0.282103  0.515863  1
  Al  Al38  1  0.501212  0.645885  0.486318  1
  Al  Al39  1  1.003535  0.008768  0.455294  1
  Al  Al40  1  1.002820  0.145885  0.486318  1
  Al  Al41  1  0.500497  0.508768  0.455294  1
  Al  Al42  1  0.501141  0.782103  0.515863  1
  Al  Al43  1  0.502126  0.403393  0.505611  1
  Al  Al44  1  1.000799  0.766994  0.474958  1
  Al  Al45  1  1.000250  0.040341  0.536956  1
  Al  Al46  1  0.503233  0.266994  0.474958  1
  Al  Al47  1  0.503782  0.540341  0.536956  1
  Al  Al48  1  1.001906  0.903393  0.505611  1
  Al  Al49  1  0.503559  0.161270  0.527432  1
  Al  Al50  1  1.001716  0.524537  0.496342  1
  Al  Al51  1  0.501957  0.887459  0.464091  1
  Al  Al52  1  1.002075  0.387459  0.464091  1
  Al  Al53  1  1.000472  0.661270  0.527432  1
  Al  Al54  1  0.502315  0.024537  0.496342  1
  Al  Al55  1  0.500208  0.186709  0.614243  1
  Al  Al56  1  1.006612  0.555758  0.577691  1
  Al  Al57  1  0.501312  0.918381  0.545690  1
  Al  Al58  1  0.497420  0.055758  0.577691  1
  Al  Al59  1  1.002719  0.418381  0.545690  1
  Al  Al60  1  1.003825  0.686709  0.614243  1
  Al  Al61  1  0.017471  0.315593  0.593886  1
  Al  Al62  1  0.497954  0.675304  0.566538  1
  Al  Al63  1  0.502151  0.948858  0.639153  1
  Al  Al64  1  1.006077  0.175304  0.566538  1
  Al  Al65  1  1.001886  0.448860  0.639155  1
  Al  Al66  1  0.486559  0.815594  0.593886  1
  Al  Al67  1  1.005020  0.075901  0.618283  1
  Al  Al68  1  0.499103  0.437373  0.587303  1
  Al  Al69  1  1.000906  0.798052  0.556091  1
  Al  Al70  1  0.503126  0.298052  0.556091  1
  Al  Al71  1  0.499011  0.575901  0.618283  1
  Al  Al72  1  1.004929  0.937373  0.587303  1
  Al  Al73  1  0.059929  0.063988  0.668823  1
  Al  Al74  1  0.475669  0.449103  0.664193  1
  Al  Al75  1  0.993284  0.827713  0.639792  1
  Al  Al76  1  0.028370  0.949105  0.664193  1
  Al  Al77  1  0.510749  0.327714  0.639793  1
  Al  Al78  1  0.444098  0.563988  0.668821  1
  Al  Al79  1  0.513170  0.177970  0.667884  1
  Al  Al80  1  0.980882  0.564392  0.656228  1
  Al  Al81  1  0.046490  0.850774  0.690463  1
  Al  Al82  1  0.523146  0.064389  0.656228  1
  Al  Al83  1  0.457544  0.350774  0.690463  1
  Al  Al84  1  0.990861  0.677970  0.667885  1
  Al  Al85  1  0.456712  0.917663  0.689152  1
  Al  Al86  1  0.019732  0.310631  0.671399  1
  Al  Al87  1  0.466083  0.697317  0.656445  1
  Al  Al88  1  0.037949  0.197317  0.656445  1
  Al  Al89  1  0.047320  0.417662  0.689153  1
  Al  Al90  1  0.484301  0.810631  0.671399  1
  H  H91  1  0.279531  0.409886  0.350252  1
  H  H92  1  0.034965  0.786153  0.297359  1
  H  H93  1  0.292795  0.192580  0.278390  1
  H  H94  1  0.848073  0.345204  0.288827  1
  H  H95  1  0.747997  0.641515  0.335828  1
  H  H96  1  0.106292  0.012671  0.287010  1
  H  H97  1  0.209878  0.418147  0.297494  1
  H  H98  1  0.110909  0.690053  0.358346  1
  H  H99  1  0.368460  0.000843  0.292037  1
  H  H100  1  0.696629  0.371507  0.303723  1
  H  H101  1  0.548159  0.751857  0.276295  1
  H  H102  1  0.273514  0.025344  0.342334  1
  H  H103  1  0.066748  0.355089  0.332215  1
  H  H104  1  0.769945  0.730222  0.277825  1
  H  H105  1  0.831088  0.098155  0.281357  1
  H  H106  1  0.382544  0.381355  0.299194  1
  H  H107  1  0.382408  0.617575  0.364638  1
  H  H108  1  0.742389  0.024057  0.342187  1
  H  H109  1  0.135572  0.500843  0.292037  1
  H  H110  1  0.294154  0.918147  0.297494  1
  H  H111  1  0.393123  0.190053  0.358346  1
  H  H112  1  0.718975  0.406473  0.351850  1
  H  H113  1  0.292750  0.759732  0.319339  1
  H  H114  1  0.657978  0.142816  0.279453  1
  H  H115  1  0.699551  0.519728  0.290041  1
  H  H116  1  0.693261  0.798164  0.359031  1
  H  H117  1  0.260451  0.139645  0.333506  1
  H  H118  1  0.397740  0.512671  0.287010  1
  H  H119  1  0.655959  0.845204  0.288827  1
  H  H120  1  0.756035  0.141515  0.335828  1
  H  H121  1  0.761643  0.524057  0.342187  1
  H  H122  1  0.121488  0.881355  0.299194  1
  H  H123  1  0.121623  0.117575  0.364638  1
  H  H124  1  0.790291  0.454978  0.292881  1
  H  H125  1  0.885671  0.743476  0.351250  1
  H  H126  1  0.232898  0.107742  0.284996  1
  H  H127  1  0.810771  0.298164  0.359031  1
  H  H128  1  0.243580  0.639645  0.333506  1
  H  H129  1  0.804481  0.019728  0.290041  1
  H  H130  1  0.230517  0.525344  0.342334  1
  H  H131  1  0.807402  0.871507  0.303723  1
  H  H132  1  0.955873  0.251857  0.276295  1
  H  H133  1  0.211236  0.692580  0.278390  1
  H  H134  1  0.224500  0.909886  0.350252  1
  H  H135  1  0.469067  0.286153  0.297359  1
  H  H136  1  0.846053  0.642816  0.279453  1
  H  H137  1  0.785057  0.906473  0.351850  1
  H  H138  1  0.211281  0.259732  0.319339  1
  H  H139  1  0.271134  0.607742  0.284996  1
  H  H140  1  0.713741  0.954978  0.292881  1
  H  H141  1  0.618361  0.243476  0.351250  1
  H  H142  1  0.672944  0.598155  0.281357  1
  H  H143  1  0.437283  0.855089  0.332215  1
  H  H144  1  0.734087  0.230222  0.277825  1
  H  H145  1  0.882564  0.343954  0.424417  1
  H  H146  1  0.369045  0.704675  0.397261  1
  H  H147  1  0.896056  0.073913  0.368463  1
  H  H148  1  0.233397  0.286373  0.367625  1
  H  H149  1  0.247090  0.561813  0.431033  1
  H  H150  1  0.760185  0.926723  0.398267  1
  H  H151  1  0.616665  0.331147  0.384690  1
  H  H152  1  0.629398  0.599617  0.448932  1
  H  H153  1  0.126572  0.963603  0.416206  1
  H  H154  1  0.242474  0.306589  0.407258  1
  H  H155  1  0.756211  0.665278  0.381854  1
  H  H156  1  0.756914  0.939965  0.440103  1
  H  H157  1  0.630910  0.283012  0.431652  1
  H  H158  1  0.119527  0.645009  0.401888  1
  H  H159  1  0.617829  0.000703  0.373310  1
  H  H160  1  0.894090  0.266204  0.391352  1
  H  H161  1  0.873361  0.539859  0.453619  1
  H  H162  1  0.381007  0.901086  0.420352  1
  H  H163  1  0.377459  0.463603  0.416206  1
  H  H164  1  0.887367  0.831147  0.384690  1
  H  H165  1  0.874634  0.099617  0.448932  1
  H  H166  1  0.253495  0.319632  0.449492  1
  H  H167  1  0.751863  0.684551  0.420092  1
  H  H168  1  0.260026  0.047296  0.391165  1
  H  H169  1  0.112680  0.455922  0.376658  1
  H  H170  1  0.123056  0.722518  0.436890  1
  H  H171  1  0.628802  0.083687  0.407269  1
  H  H172  1  0.743847  0.426723  0.398267  1
  H  H173  1  0.270634  0.786373  0.367625  1
  H  H174  1  0.256942  0.061813  0.431033  1
  H  H175  1  0.123024  0.401086  0.420352  1
  H  H176  1  0.609942  0.766204  0.391352  1
  H  H177  1  0.630671  0.039859  0.453619  1
  H  H178  1  0.394769  0.384281  0.380800  1
  H  H179  1  0.370486  0.662206  0.443767  1
  H  H180  1  0.881257  0.023042  0.412130  1
  H  H181  1  0.380975  0.222518  0.436890  1
  H  H182  1  0.875230  0.583687  0.407269  1
  H  H183  1  0.391352  0.955922  0.376658  1
  H  H184  1  0.747117  0.439965  0.440103  1
  H  H185  1  0.261557  0.806589  0.407258  1
  H  H186  1  0.747821  0.165278  0.381854  1
  H  H187  1  0.607976  0.573913  0.368463  1
  H  H188  1  0.621468  0.843954  0.424417  1
  H  H189  1  0.134987  0.204675  0.397261  1
  H  H190  1  0.244005  0.547296  0.391165  1
  H  H191  1  0.250536  0.819632  0.449492  1
  H  H192  1  0.752169  0.184551  0.420092  1
  H  H193  1  0.622774  0.523042  0.412130  1
  H  H194  1  0.109263  0.884281  0.380800  1
  H  H195  1  0.133545  0.162206  0.443767  1
  H  H196  1  0.886202  0.500703  0.373310  1
  H  H197  1  0.873122  0.783012  0.431652  1
  H  H198  1  0.384505  0.145009  0.401888  1
  H  H199  1  0.380291  0.251754  0.518480  1
  H  H200  1  0.879393  0.616392  0.488933  1
  H  H201  1  0.374787  0.977966  0.458368  1
  H  H202  1  0.755860  0.198958  0.460327  1
  H  H203  1  0.751270  0.471743  0.521241  1
  H  H204  1  0.252471  0.835039  0.490178  1
  H  H205  1  0.128091  0.236968  0.477997  1
  H  H206  1  0.128216  0.509766  0.539321  1
  H  H207  1  0.625835  0.873466  0.507523  1
  H  H208  1  0.750749  0.214041  0.501085  1
  H  H209  1  0.250585  0.577512  0.470841  1
  H  H210  1  0.250870  0.850253  0.530697  1
  H  H211  1  0.131064  0.191388  0.524040  1
  H  H212  1  0.624546  0.554075  0.493850  1
  H  H213  1  0.128343  0.917719  0.462400  1
  H  H214  1  0.381598  0.175654  0.483749  1
  H  H215  1  0.377996  0.449333  0.543938  1
  H  H216  1  0.877370  0.812148  0.513057  1
  H  H217  1  0.878197  0.373466  0.507523  1
  H  H218  1  0.375940  0.736968  0.477997  1
  H  H219  1  0.375815  0.009766  0.539320  1
  H  H220  1  0.755153  0.229432  0.541889  1
  H  H221  1  0.251539  0.592998  0.511634  1
  H  H222  1  0.750973  0.955993  0.480392  1
  H  H223  1  0.628330  0.357852  0.467246  1
  H  H224  1  0.629462  0.630821  0.529262  1
  H  H225  1  0.125133  0.994951  0.498568  1
  H  H226  1  0.251561  0.335039  0.490178  1
  H  H227  1  0.748171  0.698958  0.460327  1
  H  H228  1  0.752762  0.971744  0.521241  1
  H  H229  1  0.626661  0.312148  0.513057  1
  H  H230  1  0.122434  0.675654  0.483749  1
  H  H231  1  0.126036  0.949333  0.543938  1
  H  H232  1  0.878049  0.297143  0.472423  1
  H  H233  1  0.878686  0.570211  0.534797  1
  H  H234  1  0.378415  0.932761  0.502879  1
  H  H235  1  0.874570  0.130821  0.529262  1
  H  H236  1  0.378899  0.494951  0.498568  1
  H  H237  1  0.875701  0.857852  0.467246  1
  H  H238  1  0.253161  0.350253  0.530697  1
  H  H239  1  0.753283  0.714041  0.501085  1
  H  H240  1  0.253447  0.077512  0.470841  1
  H  H241  1  0.129245  0.477966  0.458368  1
  H  H242  1  0.123741  0.751754  0.518480  1
  H  H243  1  0.624639  0.116392  0.488933  1
  H  H244  1  0.753058  0.455993  0.480392  1
  H  H245  1  0.748878  0.729432  0.541889  1
  H  H246  1  0.252492  0.092998  0.511634  1
  H  H247  1  0.125616  0.432761  0.502879  1
  H  H248  1  0.625982  0.797143  0.472423  1
  H  H249  1  0.625345  0.070211  0.534797  1
  H  H250  1  0.375689  0.417719  0.462400  1
  H  H251  1  0.372968  0.691388  0.524040  1
  H  H252  1  0.879486  0.054075  0.493850  1
  H  H253  1  0.902210  0.169432  0.612145  1
  H  H254  1  0.386531  0.528049  0.579746  1
  H  H255  1  0.878873  0.890129  0.548915  1
  H  H256  1  0.254249  0.107917  0.551877  1
  H  H257  1  0.248814  0.383603  0.614063  1
  H  H258  1  0.749161  0.743446  0.581420  1
  H  H259  1  0.626152  0.148713  0.571961  1
  H  H260  1  0.648137  0.414521  0.626347  1
  H  H261  1  0.114966  0.782477  0.599597  1
  H  H262  1  0.256889  0.125154  0.592808  1
  H  H263  1  0.755934  0.487612  0.562189  1
  H  H264  1  0.780940  0.767478  0.612791  1
  H  H265  1  0.624259  0.096568  0.615083  1
  H  H266  1  0.117507  0.462045  0.584054  1
  H  H267  1  0.630310  0.828485  0.552992  1
  H  H268  1  0.873020  0.086391  0.575460  1
  H  H269  1  0.891720  0.351860  0.632361  1
  H  H270  1  0.374336  0.721070  0.603937  1
  H  H271  1  0.389065  0.282478  0.599597  1
  H  H272  1  0.877880  0.648713  0.571961  1
  H  H273  1  0.855901  0.914520  0.626347  1
  H  H274  1  0.263326  0.129602  0.640662  1
  H  H275  1  0.760229  0.501815  0.604740  1
  H  H276  1  0.241560  0.867937  0.570713  1
  H  H277  1  0.135960  0.265415  0.558325  1
  H  H278  1  0.137633  0.532264  0.618751  1
  H  H279  1  0.623717  0.905976  0.588607  1
  H  H280  1  0.754867  0.243445  0.581421  1
  H  H281  1  0.249783  0.607917  0.551877  1
  H  H282  1  0.255216  0.883603  0.614063  1
  H  H283  1  0.129696  0.221070  0.603937  1
  H  H284  1  0.631011  0.586391  0.575460  1
  H  H285  1  0.612314  0.851859  0.632361  1
  H  H286  1  0.388359  0.205575  0.566554  1
  H  H287  1  0.354245  0.482071  0.624143  1
  H  H288  1  0.878128  0.844580  0.594371  1
  H  H289  1  0.366398  0.032264  0.618751  1
  H  H290  1  0.880315  0.405976  0.588607  1
  H  H291  1  0.368071  0.765415  0.558325  1
  H  H292  1  0.723092  0.267479  0.612791  1
  H  H293  1  0.247142  0.625154  0.592808  1
  H  H294  1  0.748097  0.987612  0.562189  1
  H  H295  1  0.625159  0.390129  0.548915  1
  H  H296  1  0.601822  0.669432  0.612145  1
  H  H297  1  0.117501  0.028049  0.579746  1
  H  H298  1  0.262471  0.367937  0.570713  1
  H  H299  1  0.240706  0.629602  0.640663  1
  H  H300  1  0.743801  0.001815  0.604741  1
  H  H301  1  0.625903  0.344580  0.594371  1
  H  H302  1  0.115672  0.705575  0.566554  1
  H  H303  1  0.149788  0.982071  0.624143  1
  H  H304  1  0.873721  0.328484  0.552992  1
  H  H305  1  0.879772  0.596568  0.615083  1
  H  H306  1  0.386524  0.962045  0.584054  1
  H  H307  1  0.396599  0.017261  0.728298  1
  H  H308  1  0.714738  0.408951  0.713000  1
  H  H309  1  0.368428  0.781709  0.632278  1
  H  H310  1  0.804590  0.011894  0.642369  1
  H  H311  1  0.539371  0.317826  0.733423  1
  H  H312  1  0.308911  0.643401  0.690956  1
  H  H313  1  0.333270  0.004071  0.681273  1
  H  H314  1  0.125141  0.336549  0.715060  1
  H  H315  1  0.679144  0.691504  0.695228  1
  H  H316  1  0.098355  0.051715  0.715307  1
  H  H317  1  0.233266  0.380118  0.654597  1
  H  H318  1  0.052452  0.641256  0.707924  1
  H  H319  1  0.491573  0.981409  0.726438  1
  H  H320  1  0.760924  0.383504  0.664623  1
  H  H321  1  0.155658  0.744656  0.645229  1
  H  H322  1  0.770031  0.008204  0.687911  1
  H  H323  1  0.498439  0.279743  0.724296  1
  H  H324  1  0.939527  0.602908  0.698607  1
  H  H325  1  0.824887  0.191504  0.695228  1
  H  H326  1  0.170750  0.504065  0.681268  1
  H  H327  1  0.378891  0.836550  0.715060  1
  H  H328  1  0.988128  0.087420  0.712740  1
  H  H329  1  0.258039  0.392269  0.724500  1
  H  H330  1  0.854921  0.773075  0.678339  1
  H  H331  1  0.725184  0.242766  0.643540  1
  H  H332  1  0.409621  0.439703  0.709975  1
  H  H333  1  0.257367  0.738328  0.691966  1
  H  H334  1  0.195120  0.143401  0.690956  1
  H  H335  1  0.699442  0.511894  0.642368  1
  H  H336  1  0.964661  0.817826  0.733423  1
  H  H337  1  0.564504  0.102907  0.698606  1
  H  H338  1  0.734001  0.508204  0.687911  1
  H  H339  1  1.005593  0.779743  0.724296  1
  H  H340  1  0.810324  0.124942  0.653951  1
  H  H341  1  0.838989  0.345137  0.710349  1
  H  H342  1  0.529075  0.736073  0.700545  1
  H  H343  1  0.094413  0.939703  0.709975  1
  H  H344  1  0.246665  0.238328  0.691966  1
  H  H345  1  0.778847  0.742766  0.643540  1
  H  H346  1  0.451580  0.141256  0.707925  1
  H  H347  1  0.405597  0.551692  0.715309  1
  H  H348  1  0.270767  0.880118  0.654596  1
  H  H349  1  0.135604  0.281710  0.632277  1
  H  H350  1  0.107446  0.517262  0.728298  1
  H  H351  1  0.789294  0.908951  0.713000  1
  H  H352  1  0.649111  0.273075  0.678339  1
  H  H353  1  0.515961  0.587441  0.712739  1
  H  H354  1  0.245993  0.892270  0.724499  1
  H  H355  1  0.974958  0.236073  0.700545  1
  H  H356  1  0.693705  0.624942  0.653951  1
  H  H357  1  0.665043  0.845138  0.710349  1
  H  H358  1  0.348374  0.244656  0.645229  1
  H  H359  1  0.012468  0.481412  0.726437  1
  H  H360  1  0.743111  0.883504  0.664622  1
