# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69464441
_cell_length_b   15.07878293
_cell_length_c   51.83374702
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.28891299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al60 H180'
_cell_volume   4364.76302142
_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  0.427203  0.734955  0.322792  1
  Al  Al2  1  0.569470  0.228674  0.334926  1
  Al  Al3  1  0.263144  0.580967  0.302299  1
  Al  Al4  1  0.505100  0.035518  0.330919  1
  Al  Al5  1  0.028360  0.041469  0.332811  1
  Al  Al6  1  0.156660  0.426961  0.328185  1
  Al  Al7  1  0.258571  0.600478  0.354706  1
  Al  Al8  1  0.114931  0.239033  0.324607  1
  Al  Al9  1  0.766493  0.633983  0.313499  1
  Al  Al10  1  0.141403  0.158204  0.369653  1
  Al  Al11  1  0.892225  0.798676  0.338129  1
  Al  Al12  1  0.666294  0.433317  0.316962  1
  Al  Al13  1  0.883612  0.723758  0.386897  1
  Al  Al14  1  0.096393  0.167552  0.438130  1
  Al  Al15  1  0.745949  0.544605  0.359315  1
  Al  Al16  1  0.011602  0.956313  0.405741  1
  Al  Al17  1  0.524531  0.940951  0.373687  1
  Al  Al18  1  0.653104  0.347326  0.422141  1
  Al  Al19  1  0.803312  0.577828  0.441768  1
  Al  Al20  1  0.589346  0.123219  0.376557  1
  Al  Al21  1  0.255326  0.535501  0.405218  1
  Al  Al22  1  0.508178  0.982701  0.449286  1
  Al  Al23  1  0.397668  0.765696  0.426973  1
  Al  Al24  1  0.175672  0.338644  0.372667  1
  Al  Al25  1  0.316550  0.612157  0.479559  1
  Al  Al26  1  0.538649  0.054126  0.525962  1
  Al  Al27  1  0.200584  0.390370  0.457941  1
  Al  Al28  1  0.427811  0.833012  0.501969  1
  Al  Al29  1  0.915284  0.799387  0.463238  1
  Al  Al30  1  0.129152  0.241251  0.512095  1
  Al  Al31  1  0.240507  0.461333  0.534732  1
  Al  Al32  1  0.020437  0.018443  0.487093  1
  Al  Al33  1  0.721441  0.426727  0.496225  1
  Al  Al34  1  0.943880  0.868830  0.540510  1
  Al  Al35  1  0.835951  0.647558  0.517680  1
  Al  Al36  1  0.610341  0.206245  0.475098  1
  Al  Al37  1  0.753318  0.497352  0.570552  1
  Al  Al38  1  0.943400  0.931049  0.621100  1
  Al  Al39  1  0.647615  0.276274  0.551391  1
  Al  Al40  1  0.878342  0.722956  0.591134  1
  Al  Al41  1  0.355163  0.681586  0.555591  1
  Al  Al42  1  0.598167  0.119438  0.603508  1
  Al  Al43  1  0.691911  0.340395  0.632692  1
  Al  Al44  1  0.463854  0.903007  0.576520  1
  Al  Al45  1  0.182699  0.312756  0.588747  1
  Al  Al46  1  0.404353  0.750980  0.636241  1
  Al  Al47  1  0.283886  0.527647  0.612171  1
  Al  Al48  1  0.055166  0.088896  0.562493  1
  Al  Al49  1  0.265561  0.436133  0.660373  1
  Al  Al50  1  0.441983  0.805947  0.683865  1
  Al  Al51  1  0.163160  0.168365  0.634668  1
  Al  Al52  1  0.304651  0.621934  0.684853  1
  Al  Al53  1  0.827965  0.612525  0.646217  1
  Al  Al54  1  0.890262  -0.005734  0.677674  1
  Al  Al55  1  0.971587  0.188810  0.677699  1
  Al  Al56  1  0.916959  0.814152  0.668563  1
  Al  Al57  1  0.541022  0.214034  0.670438  1
  Al  Al58  1  0.858203  0.657708  0.694976  1
  Al  Al59  1  0.888641  0.488136  0.680620  1
  Al  Al60  1  0.507012  0.031145  0.655113  1
  H  H61  1  0.759218  0.795474  0.299823  1
  H  H62  1  0.872644  0.242061  0.360298  1
  H  H63  1  0.479014  0.531235  0.329925  1
  H  H64  1  0.098280  0.176224  0.284480  1
  H  H65  1  0.979578  0.673992  0.348882  1
  H  H66  1  0.599156  0.149066  0.299409  1
  H  H67  1  0.362774  0.723997  0.281536  1
  H  H68  1  0.316572  0.133695  0.306667  1
  H  H69  1  0.549457  0.683599  0.280908  1
  H  H70  1  0.819149  0.138245  0.339384  1
  H  H71  1  0.034996  0.469650  0.369636  1
  H  H72  1  0.911240  0.170709  0.288934  1
  H  H73  1  0.218990  0.015916  0.294850  1
  H  H74  1  0.858426  0.316443  0.306878  1
  H  H75  1  0.075849  0.753951  0.303370  1
  H  H76  1  0.019640  0.314912  0.258846  1
  H  H77  1  0.428192  0.821571  0.354162  1
  H  H78  1  0.332528  0.378499  0.292578  1
  H  H79  1  0.198444  0.750636  0.358364  1
  H  H80  1  0.851917  0.310926  0.261175  1
  H  H81  1  0.020376  -0.003136  0.290979  1
  H  H82  1  0.415390  0.346671  0.340536  1
  H  H83  1  0.631500  0.683453  0.353503  1
  H  H84  1  0.450356  0.299634  0.297829  1
  H  H85  1  0.967236  0.536881  0.326092  1
  H  H86  1  0.256512  0.021892  0.365133  1
  H  H87  1  0.562035  0.974812  0.293412  1
  H  H88  1  0.822063  0.362329  0.350196  1
  H  H89  1  0.186970  0.913074  0.324032  1
  H  H90  1  0.970216  0.618349  0.274231  1
  H  H91  1  0.730974  0.922853  0.334640  1
  H  H92  1  0.577106  0.524328  0.284706  1
  H  H93  1  0.760409  0.008371  0.297041  1
  H  H94  1  0.984169  0.457038  0.289237  1
  H  H95  1  0.425283  0.884922  0.311140  1
  H  H96  1  0.109184  0.591702  0.264110  1
  H  H97  1  0.233329  0.679276  0.392622  1
  H  H98  1  0.462198  0.126399  0.439864  1
  H  H99  1  0.973987  0.460329  0.431519  1
  H  H100  1  0.868658  0.030159  0.374371  1
  H  H101  1  0.397917  0.527888  0.445733  1
  H  H102  1  0.253981  0.097162  0.405611  1
  H  H103  1  0.546939  0.624313  0.385187  1
  H  H104  1  0.802109  0.057029  0.421450  1
  H  H105  1  0.908898  0.580768  0.399261  1
  H  H106  1  0.148285  0.025787  0.445170  1
  H  H107  1  0.595689  0.438982  0.454475  1
  H  H108  1  0.419168  0.010100  0.407743  1
  H  H109  1  0.824424  0.861497  0.375653  1
  H  H110  1  0.018339  0.302397  0.425871  1
  H  H111  1  0.586847  0.653330  0.416105  1
  H  H112  1  0.483447  0.263145  0.376970  1
  H  H113  1  0.996498  0.717765  0.428870  1
  H  H114  1  0.800179  0.271498  0.391375  1
  H  H115  1  0.605907  0.688020  0.452668  1
  H  H116  1  0.347505  0.235028  0.406588  1
  H  H117  1  0.558999  0.793205  0.387857  1
  H  H118  1  0.721803  0.210135  0.433204  1
  H  H119  1  0.196468  0.624441  0.438025  1
  H  H120  1  0.889768  0.164471  0.403205  1
  H  H121  1  0.608825  0.488540  0.410612  1
  H  H122  1  0.869900  0.940384  0.450908  1
  H  H123  1  0.209419  0.842583  0.397474  1
  H  H124  1  0.389300  0.278274  0.448870  1
  H  H125  1  0.611032  0.906553  0.414811  1
  H  H126  1  0.377195  0.474228  0.369469  1
  H  H127  1  0.199629  0.876787  0.435031  1
  H  H128  1  0.950347  0.414810  0.397004  1
  H  H129  1  0.114945  0.904398  0.365720  1
  H  H130  1  0.303132  0.390787  0.414518  1
  H  H131  1  0.807390  0.813229  0.421219  1
  H  H132  1  0.592679  0.407941  0.382222  1
  H  H133  1  0.669453  0.565764  0.483473  1
  H  H134  1  0.888507  0.006705  0.528957  1
  H  H135  1  0.438891  0.351460  0.523612  1
  H  H136  1  0.219250  0.908682  0.475462  1
  H  H137  1  0.843594  0.412922  0.538181  1
  H  H138  1  0.622887  0.972609  0.490841  1
  H  H139  1  1.006347  0.501440  0.468943  1
  H  H140  1  0.231530  0.943332  0.513789  1
  H  H141  1  0.365555  0.472435  0.492418  1
  H  H142  1  0.597127  0.915502  0.535948  1
  H  H143  1  0.046804  0.322619  0.547128  1
  H  H144  1  0.829086  0.878763  0.498010  1
  H  H145  1  0.261908  0.752135  0.467802  1
  H  H146  1  0.482393  0.194722  0.516453  1
  H  H147  1  0.032162  0.536734  0.507126  1
  H  H148  1  0.802596  0.094124  0.462155  1
  H  H149  1  0.434858  0.599667  0.521554  1
  H  H150  1  0.216668  0.156817  0.478357  1
  H  H151  1  0.044245  0.571875  0.544798  1
  H  H152  1  0.826193  0.129339  0.500007  1
  H  H153  1  0.965954  0.660066  0.475915  1
  H  H154  1  0.188987  0.101322  0.521873  1
  H  H155  1  0.635267  0.509547  0.529618  1
  H  H156  1  0.420487  0.063859  0.484057  1
  H  H157  1  0.075371  0.380531  0.500212  1
  H  H158  1  0.290769  0.819611  0.543780  1
  H  H159  1  0.626865  0.722872  0.490502  1
  H  H160  1  0.840676  0.166332  0.538079  1
  H  H161  1  0.025565  0.788076  0.505499  1
  H  H162  1  0.801603  0.343664  0.462575  1
  H  H163  1  0.638148  0.757620  0.528567  1
  H  H164  1  0.412175  0.316822  0.485438  1
  H  H165  1  0.564447  0.845833  0.460445  1
  H  H166  1  0.775510  0.288253  0.509207  1
  H  H167  1  0.236333  0.693165  0.513775  1
  H  H168  1  1.004889  0.252505  0.470850  1
  H  H169  1  0.109690  0.449666  0.577135  1
  H  H170  1  0.307729  0.879391  0.616373  1
  H  H171  1  0.903155  0.239054  0.614581  1
  H  H172  1  0.656964  0.793192  0.566118  1
  H  H173  1  0.295359  0.323349  0.629995  1
  H  H174  1  0.057878  0.865781  0.582725  1
  H  H175  1  0.452778  0.386400  0.561288  1
  H  H176  1  0.656888  0.825479  0.605288  1
  H  H177  1  0.818322  0.362187  0.586710  1
  H  H178  1  0.054439  0.799575  0.626672  1
  H  H179  1  0.526831  0.206375  0.630480  1
  H  H180  1  0.285436  0.763076  0.590609  1
  H  H181  1  0.704397  0.635794  0.558994  1
  H  H182  1  0.946772  0.075046  0.604116  1
  H  H183  1  0.497429  0.421908  0.601210  1
  H  H184  1  0.250033  0.979214  0.551735  1
  H  H185  1  0.884210  0.518074  0.610081  1
  H  H186  1  0.658856  0.042461  0.567763  1
  H  H187  1  0.575482  0.475683  0.637070  1
  H  H188  1  0.262517  0.011524  0.590010  1
  H  H189  1  0.398547  0.541650  0.569328  1
  H  H190  1  0.588555  0.974401  0.614191  1
  H  H191  1  0.081379  0.388104  0.622946  1
  H  H192  1  0.862972  0.949406  0.576509  1
  H  H193  1  0.539434  0.267853  0.593551  1
  H  H194  1  0.780311  0.743881  0.630984  1
  H  H195  1  0.071955  0.606044  0.582544  1
  H  H196  1  0.272692  0.041264  0.622856  1
  H  H197  1  0.475621  0.671216  0.598486  1
  H  H198  1  0.250228  0.230959  0.553576  1
  H  H199  1  0.110816  0.654098  0.616747  1
  H  H200  1  0.870110  0.201896  0.576750  1
  H  H201  1  0.011943  0.731656  0.551146  1
  H  H202  1  0.259353  0.174798  0.593302  1
  H  H203  1  0.674755  0.589474  0.604768  1
  H  H204  1  0.462349  0.133722  0.561638  1
  H  H205  1  0.564878  0.367555  0.676083  1
  H  H206  1  0.640310  0.686884  0.729563  1
  H  H207  1  1.003299  0.055250  0.718495  1
  H  H208  1  0.126295  0.713560  0.664694  1
  H  H209  1  0.730229  0.229531  0.708345  1
  H  H210  1  0.756152  0.784570  0.709899  1
  H  H211  1  0.903823  0.335061  0.670526  1
  H  H212  1  0.228879  0.730133  0.716709  1
  H  H213  1  0.259023  0.290436  0.661244  1
  H  H214  1  0.515161  0.623772  0.722961  1
  H  H215  1  0.031252  0.127136  0.717629  1
  H  H216  1  0.616534  0.701036  0.667587  1
  H  H217  1  0.149273  0.557661  0.650195  1
  H  H218  1  0.263100  0.975916  0.692921  1
  H  H219  1  0.849658  0.391755  0.715662  1
  H  H220  1  0.651044  0.890480  0.651442  1
  H  H221  1  0.177538  0.296522  0.706242  1
  H  H222  1  0.147925  0.945082  0.656356  1
  H  H223  1  0.709323  0.425654  0.718897  1
  H  H224  1  0.632696  0.923864  0.709359  1
  H  H225  1  0.942220  0.470339  0.638319  1
  H  H226  1  0.167240  0.876679  0.701431  1
  H  H227  1  0.294947  0.246585  0.705042  1
  H  H228  1  0.315680  0.880229  0.653332  1
  H  H229  1  0.644419  0.085187  0.693761  1
  H  H230  1  0.074835  0.691487  0.730180  1
  H  H231  1  0.547699  0.526944  0.685754  1
  H  H232  1  0.822779  0.957188  0.717641  1
  H  H233  1  0.059466  0.561763  0.718224  1
  H  H234  1  0.768211  0.155590  0.642303  1
  H  H235  1  0.813389  0.536661  0.721309  1
  H  H236  1  0.236149  0.100201  0.675692  1
  H  H237  1  0.443257  0.610798  0.644202  1
  H  H238  1  0.579448  0.162023  0.710934  1
  H  H239  1  0.237038  0.474399  0.701424  1
  H  H240  1  0.877813  0.051075  0.640287  1
