# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35452287
_cell_length_b   10.30567842
_cell_length_c   48.92193630
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.07994735
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al60 H180'
_cell_volume   4837.60994689
_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  0.221264  0.899445  0.309705  1
  Al  Al2  1  0.993133  0.780690  0.344908  1
  Al  Al3  1  0.031177  0.633521  0.303714  1
  Al  Al4  1  0.783154  0.547416  0.327121  1
  Al  Al5  1  0.921017  0.374065  0.323328  1
  Al  Al6  1  0.668966  0.145100  0.351715  1
  Al  Al7  1  0.099577  0.568748  0.354534  1
  Al  Al8  1  0.288990  0.682205  0.314478  1
  Al  Al9  1  0.313855  0.813964  0.361554  1
  Al  Al10  1  0.491553  0.946605  0.319102  1
  Al  Al11  1  0.401028  0.144744  0.328310  1
  Al  Al12  1  0.663852  0.277503  0.307607  1
  Al  Al13  1  0.733677  0.582421  0.383738  1
  Al  Al14  1  0.403896  0.391047  0.436633  1
  Al  Al15  1  0.567250  0.361758  0.355407  1
  Al  Al16  1  0.292761  0.183374  0.403453  1
  Al  Al17  1  0.451244  0.055582  0.384411  1
  Al  Al18  1  0.125127  0.927945  0.422260  1
  Al  Al19  1  0.588254  0.306781  0.408269  1
  Al  Al20  1  0.845484  0.392982  0.375070  1
  Al  Al21  1  0.679564  0.533981  0.440096  1
  Al  Al22  1  0.017042  0.689003  0.395655  1
  Al  Al23  1  0.840474  0.784460  0.420187  1
  Al  Al24  1  0.187530  0.998129  0.364770  1
  Al  Al25  1  0.040348  0.218776  0.485368  1
  Al  Al26  1  0.669254  0.060576  0.531531  1
  Al  Al27  1  0.942719  0.998537  0.452940  1
  Al  Al28  1  0.588593  0.847895  0.496534  1
  Al  Al29  1  0.772258  0.754374  0.473166  1
  Al  Al30  1  0.398236  0.609103  0.515072  1
  Al  Al31  1  0.858083  0.978429  0.505414  1
  Al  Al32  1  0.218667  0.142139  0.456737  1
  Al  Al33  1  0.951603  0.203796  0.536781  1
  Al  Al34  1  0.312579  0.372618  0.487328  1
  Al  Al35  1  0.127112  0.454533  0.513016  1
  Al  Al36  1  0.498330  0.622013  0.465491  1
  Al  Al37  1  0.339414  0.919162  0.575470  1
  Al  Al38  1  0.080239  0.843457  0.613091  1
  Al  Al39  1  0.233308  0.691172  0.545414  1
  Al  Al40  1  0.868799  0.527792  0.590029  1
  Al  Al41  1  0.049319  0.448105  0.563577  1
  Al  Al42  1  0.723581  0.219106  0.621171  1
  Al  Al43  1  0.157076  0.633571  0.602461  1
  Al  Al44  1  0.514522  0.809557  0.550818  1
  Al  Al45  1  0.360811  0.843941  0.627534  1
  Al  Al46  1  0.621929  0.995737  0.589283  1
  Al  Al47  1  0.514120  0.185928  0.582126  1
  Al  Al48  1  0.774969  0.277976  0.565006  1
  Al  Al49  1  0.781613  0.642017  0.629229  1
  Al  Al50  1  0.591724  0.515834  0.667575  1
  Al  Al51  1  0.556945  0.376500  0.620596  1
  Al  Al52  1  0.395433  0.250896  0.663409  1
  Al  Al53  1  0.505116  0.061237  0.656086  1
  Al  Al54  1  0.224027  0.972081  0.666653  1
  Al  Al55  1  0.679330  0.316250  0.669688  1
  Al  Al56  1  0.925854  0.456838  0.638916  1
  Al  Al57  1  0.854710  0.583376  0.679793  1
  Al  Al58  1  0.119953  0.693876  0.658481  1
  Al  Al59  1  0.956368  0.835144  0.660232  1
  Al  Al60  1  0.311227  0.089023  0.618494  1
  H  H61  1  0.358648  0.334087  0.337185  1
  H  H62  1  0.680084  0.464156  0.284057  1
  H  H63  1  0.219011  0.435372  0.311065  1
  H  H64  1  0.057665  0.328458  0.355559  1
  H  H65  1  0.844299  0.461976  0.284582  1
  H  H66  1  0.559893  0.436535  0.307753  1
  H  H67  1  0.270691  0.913755  0.261191  1
  H  H68  1  0.772144  0.726340  0.299460  1
  H  H69  1  0.428369  0.241207  0.283181  1
  H  H70  1  0.783964  0.228193  0.270686  1
  H  H71  1  0.201540  0.106447  0.307626  1
  H  H72  1  0.491480  0.101583  0.286221  1
  H  H73  1  0.020613  0.442721  0.280263  1
  H  H74  1  0.806697  0.149666  0.313715  1
  H  H75  1  0.994892  0.138590  0.280662  1
  H  H76  1  0.718123  0.966957  0.333079  1
  H  H77  1  0.020949  0.818579  0.281930  1
  H  H78  1  0.380988  0.840845  0.280751  1
  H  H79  1  0.246755  0.999181  0.266657  1
  H  H80  1  0.953223  0.945655  0.319882  1
  H  H81  1  0.206016  0.720757  0.273334  1
  H  H82  1  0.753091  0.645383  0.284430  1
  H  H83  1  0.490494  0.758820  0.340585  1
  H  H84  1  0.650339  0.971324  0.283286  1
  H  H85  1  0.297810  0.526764  0.345125  1
  H  H86  1  0.565294  0.882029  0.278366  1
  H  H87  1  0.978416  0.856447  0.260136  1
  H  H88  1  0.395706  0.608590  0.279790  1
  H  H89  1  0.004552  0.071168  0.267807  1
  H  H90  1  0.642019  0.847116  0.327889  1
  H  H91  1  0.983413  0.957683  0.258593  1
  H  H92  1  0.464860  0.632121  0.295864  1
  H  H93  1  0.327653  0.234764  0.291231  1
  H  H94  1  0.692050  0.231981  0.263393  1
  H  H95  1  0.123274  0.339726  0.313111  1
  H  H96  1  0.149004  0.548350  0.276645  1
  H  H97  1  0.721906  0.930134  0.431869  1
  H  H98  1  0.084793  0.137439  0.383441  1
  H  H99  1  0.735956  0.182194  0.397234  1
  H  H100  1  0.431915  0.163248  0.440581  1
  H  H101  1  0.415829  0.403707  0.387260  1
  H  H102  1  0.072173  0.136015  0.418719  1
  H  H103  1  0.547697  0.571129  0.356591  1
  H  H104  1  0.255223  0.492604  0.421925  1
  H  H105  1  0.836787  0.938323  0.385290  1
  H  H106  1  0.998308  1.010432  0.339261  1
  H  H107  1  0.605935  0.733741  0.426648  1
  H  H108  1  0.973919  0.894633  0.384354  1
  H  H109  1  0.608389  0.952529  0.377682  1
  H  H110  1  0.351257  0.947020  0.423396  1
  H  H111  1  0.493613  0.853644  0.393241  1
  H  H112  1  0.162318  0.717612  0.434536  1
  H  H113  1  0.531413  0.568892  0.406561  1
  H  H114  1  0.771137  0.747553  0.348969  1
  H  H115  1  0.709859  0.786294  0.382229  1
  H  H116  1  0.345763  0.596282  0.432443  1
  H  H117  1  0.567014  0.554767  0.328223  1
  H  H118  1  0.249581  0.376299  0.401322  1
  H  H119  1  0.915519  0.591269  0.437048  1
  H  H120  1  0.246387  0.750178  0.406020  1
  H  H121  1  0.818185  0.419551  0.421846  1
  H  H122  1  0.061610  0.493108  0.398869  1
  H  H123  1  0.184712  0.404697  0.365026  1
  H  H124  1  0.904707  0.238258  0.399922  1
  H  H125  1  0.432418  0.708760  0.385521  1
  H  H126  1  0.070435  0.604430  0.436986  1
  H  H127  1  0.320009  0.605550  0.375616  1
  H  H128  1  0.997476  0.340614  0.405015  1
  H  H129  1  0.827719  0.998518  0.412334  1
  H  H130  1  0.250511  0.225024  0.354192  1
  H  H131  1  0.606814  0.099760  0.420017  1
  H  H132  1  0.899277  0.200387  0.355340  1
  H  H133  1  0.006296  0.586667  0.528257  1
  H  H134  1  0.359294  0.742799  0.477479  1
  H  H135  1  0.078935  1.003395  0.491553  1
  H  H136  1  0.715973  0.793117  0.532081  1
  H  H137  1  0.734234  1.009784  0.465942  1
  H  H138  1  0.380220  0.839781  0.513542  1
  H  H139  1  0.942217  0.331505  0.457082  1
  H  H140  1  0.613243  0.178572  0.497978  1
  H  H141  1  0.076331  0.623135  0.489771  1
  H  H142  1  0.481093  0.838264  0.454889  1
  H  H143  1  0.892859  0.402223  0.525678  1
  H  H144  1  0.254633  0.564187  0.474627  1
  H  H145  1  0.996912  0.797824  0.459833  1
  H  H146  1  0.627860  0.625208  0.505805  1
  H  H147  1  0.815061  0.555948  0.479456  1
  H  H148  1  0.445562  0.413384  0.525353  1
  H  H149  1  0.816986  0.190172  0.497284  1
  H  H150  1  0.168579  0.344344  0.448591  1
  H  H151  1  0.992523  0.418182  0.476355  1
  H  H152  1  0.658182  0.274310  0.521364  1
  H  H153  1  0.900381  0.195567  0.448586  1
  H  H154  1  0.551921  0.054206  0.490023  1
  H  H155  1  0.183909  0.261865  0.525832  1
  H  H156  1  0.547857  0.426034  0.478222  1
  H  H157  1  0.088036  0.080793  0.525631  1
  H  H158  1  0.448131  0.249780  0.471538  1
  H  H159  1  0.649717  0.195775  0.443678  1
  H  H160  1  0.297354  1.004380  0.481769  1
  H  H161  1  0.756027  0.435742  0.475215  1
  H  H162  1  0.408209  0.285172  0.519275  1
  H  H163  1  0.691661  0.318864  0.451697  1
  H  H164  1  0.328396  0.163295  0.498218  1
  H  H165  1  0.134362  0.730199  0.498632  1
  H  H166  1  0.512032  0.957756  0.465081  1
  H  H167  1  0.911022  0.776265  0.509552  1
  H  H168  1  0.251397  0.934699  0.462941  1
  H  H169  1  0.303796  0.300797  0.623615  1
  H  H170  1  0.641544  0.418512  0.572744  1
  H  H171  1  0.362639  0.651944  0.581233  1
  H  H172  1  0.136101  0.438529  0.629212  1
  H  H173  1  0.028615  0.682086  0.562722  1
  H  H174  1  0.660075  0.563520  0.590810  1
  H  H175  1  0.182307  0.894705  0.541211  1
  H  H176  1  0.896671  0.883059  0.596331  1
  H  H177  1  0.420432  0.355871  0.576535  1
  H  H178  1  0.734494  0.546072  0.527696  1
  H  H179  1  0.291379  0.176732  0.576525  1
  H  H180  1  0.589350  0.304034  0.542899  1
  H  H181  1  0.272930  0.477790  0.551570  1
  H  H182  1  0.937915  0.323310  0.601175  1
  H  H183  1  0.111833  0.261419  0.572840  1
  H  H184  1  0.903989  0.151460  0.635354  1
  H  H185  1  0.126947  0.940501  0.572897  1
  H  H186  1  0.440920  0.053367  0.536531  1
  H  H187  1  0.334183  0.116869  0.552363  1
  H  H188  1  0.087698  0.060793  0.623966  1
  H  H189  1  0.169560  0.839793  0.519170  1
  H  H190  1  0.874460  0.753847  0.585658  1
  H  H191  1  0.594444  0.915345  0.634276  1
  H  H192  1  0.859130  0.104108  0.579577  1
  H  H193  1  0.383015  0.647835  0.614792  1
  H  H194  1  0.752525  0.920437  0.559802  1
  H  H195  1  0.920872  0.829656  0.531772  1
  H  H196  1  0.603879  0.666306  0.573219  1
  H  H197  1  0.030484  0.140081  0.576280  1
  H  H198  1  0.803664  0.043186  0.619841  1
  H  H199  1  0.964936  0.986087  0.544609  1
  H  H200  1  0.620820  0.785633  0.591827  1
  H  H201  1  0.411575  0.434614  0.592409  1
  H  H202  1  0.780672  0.575202  0.546631  1
  H  H203  1  0.174978  0.424921  0.600297  1
  H  H204  1  0.528093  0.594732  0.551095  1
  H  H205  1  0.747560  0.093972  0.736868  1
  H  H206  1  0.129650  0.068568  0.699377  1
  H  H207  1  0.863567  0.385106  0.695344  1
  H  H208  1  0.518047  0.356436  0.701835  1
  H  H209  1  0.392468  0.450489  0.643402  1
  H  H210  1  0.280315  0.148087  0.700476  1
  H  H211  1  0.619690  0.718666  0.651810  1
  H  H212  1  0.462895  0.584387  0.697208  1
  H  H213  1  0.796090  0.044528  0.723598  1
  H  H214  1  0.168912  0.249283  0.661012  1
  H  H215  1  0.824027  0.691548  0.717173  1
  H  H216  1  0.036354  1.031442  0.682769  1
  H  H217  1  0.737778  0.130472  0.665269  1
  H  H218  1  0.391071  0.088251  0.697582  1
  H  H219  1  0.553573  0.984644  0.699018  1
  H  H220  1  0.153019  0.906462  0.714179  1
  H  H221  1  0.756972  0.847484  0.678207  1
  H  H222  1  0.830391  0.877617  0.626370  1
  H  H223  1  0.825302  0.954113  0.673427  1
  H  H224  1  0.566658  0.642021  0.702834  1
  H  H225  1  0.548034  0.605495  0.628125  1
  H  H226  1  0.366503  0.450549  0.677735  1
  H  H227  1  0.884526  0.786901  0.705663  1
  H  H228  1  0.300634  0.816448  0.686370  1
  H  H229  1  0.671421  0.451524  0.707460  1
  H  H230  1  0.076939  0.477139  0.675482  1
  H  H231  1  0.278665  0.608440  0.642681  1
  H  H232  1  0.116385  0.569112  0.696423  1
  H  H233  1  0.553407  0.908934  0.684758  1
  H  H234  1  0.119181  0.806074  0.721383  1
  H  H235  1  0.344496  0.718269  0.667574  1
  H  H236  1  0.051359  0.649552  0.704930  1
  H  H237  1  0.820985  0.154791  0.722051  1
  H  H238  1  0.218024  0.319787  0.677441  1
  H  H239  1  0.575108  0.150039  0.699856  1
  H  H240  1  0.916483  0.247391  0.653272  1
