# generated using pymatgen
data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78687468
_cell_length_b   31.61455897
_cell_length_c   53.60609070
_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   'Al54 H162'
_cell_volume   4723.00824625
_cell_formula_units_Z   54
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  0.938279  0.390099  0.387400  1
  Al  Al2  1  0.946474  0.699395  0.340332  1
  Al  Al3  1  0.900890  0.107020  0.442094  1
  Al  Al4  1  0.946049  0.437095  0.430614  1
  Al  Al5  1  0.913808  0.724949  0.386246  1
  Al  Al6  1  0.900176  0.027039  0.353782  1
  Al  Al7  1  0.456033  0.514978  0.435465  1
  Al  Al8  1  0.367816  0.804116  0.390179  1
  Al  Al9  1  0.401007  0.098235  0.357540  1
  Al  Al10  1  0.455929  0.472240  0.389049  1
  Al  Al11  1  0.459455  0.770044  0.345315  1
  Al  Al12  1  0.390774  0.186172  0.444290  1
  Al  Al13  1  0.470047  0.430422  0.345967  1
  Al  Al14  1  0.409861  -0.156881  0.434793  1
  Al  Al15  1  0.400691  0.139565  0.400181  1
  Al  Al16  1  0.983044  0.359155  0.342122  1
  Al  Al17  1  0.901376  0.762733  0.431926  1
  Al  Al18  1  0.904356  0.057965  0.399587  1
  Al  Al19  1  0.968125  0.518160  0.522846  1
  Al  Al20  1  0.899309  0.809071  0.476103  1
  Al  Al21  1  0.919784  0.246116  0.574633  1
  Al  Al22  1  0.970387  0.555460  0.570761  1
  Al  Al23  1  0.912777  -0.155367  0.523189  1
  Al  Al24  1  0.907476  0.148331  0.487573  1
  Al  Al25  1  0.470918  0.634008  0.574240  1
  Al  Al26  1  0.408154  -0.079623  0.528747  1
  Al  Al27  1  0.427255  0.225754  0.489856  1
  Al  Al28  1  0.470847  0.594384  0.529224  1
  Al  Al29  1  0.405578  -0.113022  0.481140  1
  Al  Al30  1  0.413040  0.324449  0.576601  1
  Al  Al31  1  0.452848  0.556413  0.481395  1
  Al  Al32  1  0.404011  -0.028615  0.569799  1
  Al  Al33  1  0.406205  0.277081  0.531463  1
  Al  Al34  1  0.958534  0.476873  0.476907  1
  Al  Al35  1  0.898792  -0.110365  0.571379  1
  Al  Al36  1  0.918597  0.196249  0.532899  1
  Al  Al37  1  0.987672  0.642586  0.660641  1
  Al  Al38  1  0.907268  -0.057669  0.612726  1
  Al  Al39  1  0.922918  0.372820  0.705769  1
  Al  Al40  1  0.930506  0.684586  0.704151  1
  Al  Al41  1  0.905573  -0.014299  0.656580  1
  Al  Al42  1  0.912971  0.287253  0.619232  1
  Al  Al43  1  0.441616  0.756082  0.705982  1
  Al  Al44  1  0.405795  0.065027  0.658052  1
  Al  Al45  1  0.409343  0.365532  0.621359  1
  Al  Al46  1  0.477083  0.721688  0.661880  1
  Al  Al47  1  0.403615  0.021627  0.613721  1
  Al  Al48  1  0.430788  0.444384  0.708994  1
  Al  Al49  1  0.469995  0.681406  0.617506  1
  Al  Al50  1  0.404528  0.095941  0.702792  1
  Al  Al51  1  0.413169  0.411107  0.663991  1
  Al  Al52  1  0.969968  0.601432  0.615841  1
  Al  Al53  1  0.904295  0.024679  0.700285  1
  Al  Al54  1  0.912723  0.328766  0.663934  1
  H  H55  1  0.436814  0.379733  0.421842  1
  H  H56  1  0.426023  0.670854  0.369968  1
  H  H57  1  0.416534  -0.012697  0.328326  1
  H  H58  1  0.957800  0.532886  0.385545  1
  H  H59  1  0.990312  0.802880  0.314687  1
  H  H60  1  0.856652  0.242902  0.429021  1
  H  H61  1  1.011877  0.327532  0.410784  1
  H  H62  1  0.769601  0.636701  0.321659  1
  H  H63  1  0.396110  0.020585  0.319209  1
  H  H64  1  0.911073  0.556844  0.304996  1
  H  H65  1  0.895393  -0.000632  0.426464  1
  H  H66  1  0.843753  0.287787  0.348086  1
  H  H67  1  0.256190  0.318665  0.310099  1
  H  H68  1  0.916815  0.642104  0.405631  1
  H  H69  1  0.885099  -0.044426  0.364813  1
  H  H70  1  0.469484  0.348386  0.307863  1
  H  H71  1  0.417342  0.705325  0.419084  1
  H  H72  1  0.398489  0.002822  0.385034  1
  H  H73  1  0.960792  0.570308  0.426961  1
  H  H74  1  0.829923  0.833607  0.359068  1
  H  H75  1  0.910057  0.081130  0.325193  1
  H  H76  1  0.423389  0.586861  0.432191  1
  H  H77  1  0.544384  -0.130954  0.373844  1
  H  H78  1  0.241424  0.128306  0.318119  1
  H  H79  1  0.508131  0.324154  0.368187  1
  H  H80  1  0.459452  0.684877  0.311237  1
  H  H81  1  0.404030  0.048588  0.435062  1
  H  H82  1  1.000565  0.289451  0.330285  1
  H  H83  1  0.973969  0.553611  0.291722  1
  H  H84  1  1.033348  -0.016046  0.410683  1
  H  H85  1  0.828969  0.315400  0.395096  1
  H  H86  1  0.910705  0.628449  0.338999  1
  H  H87  1  0.900935  0.024609  0.472748  1
  H  H88  1  0.959963  0.411242  0.313385  1
  H  H89  1  0.922063  -0.109146  0.415467  1
  H  H90  1  0.900155  0.156475  0.366323  1
  H  H91  1  0.964599  0.489299  0.353490  1
  H  H92  1  0.906143  -0.100491  0.446182  1
  H  H93  1  0.900171  0.196428  0.408218  1
  H  H94  1  0.461868  0.504530  0.348721  1
  H  H95  1  0.954937  0.751831  0.311729  1
  H  H96  1  0.359765  0.245898  0.381986  1
  H  H97  1  0.624555  0.455240  0.304949  1
  H  H98  1  0.378873  -0.122608  0.394660  1
  H  H99  1  0.391075  0.152592  0.328660  1
  H  H100  1  0.471502  0.480998  0.314092  1
  H  H101  1  0.415439  -0.061460  0.446832  1
  H  H102  1  0.399477  0.223578  0.370005  1
  H  H103  1  0.800954  0.624779  0.391768  1
  H  H104  1  0.729262  -0.044037  0.347228  1
  H  H105  1  0.601958  0.341638  0.454927  1
  H  H106  1  0.460608  0.543170  0.392503  1
  H  H107  1  1.160743  0.828602  0.326299  1
  H  H108  1  0.437436  0.252967  0.430845  1
  H  H109  1  0.476720  0.502834  0.587614  1
  H  H110  1  0.431693  0.809391  0.550940  1
  H  H111  1  0.774030  0.094865  0.519153  1
  H  H112  1  0.971843  0.653990  0.538421  1
  H  H113  1  0.906810  -0.058069  0.494975  1
  H  H114  1  0.914237  0.383784  0.585927  1
  H  H115  1  0.467977  0.485122  0.553463  1
  H  H116  1  0.398279  0.788116  0.508020  1
  H  H117  1  0.400606  0.092495  0.475407  1
  H  H118  1  0.948787  0.706418  0.460181  1
  H  H119  1  0.857425  0.147196  0.566097  1
  H  H120  1  0.912942  0.418920  0.506157  1
  H  H121  1  0.937595  0.349604  0.456995  1
  H  H122  1  0.892644  0.777955  0.546367  1
  H  H123  1  0.926133  0.076163  0.504781  1
  H  H124  1  0.442423  0.419554  0.464189  1
  H  H125  1  0.388198  0.830876  0.573640  1
  H  H126  1  0.413005  0.139535  0.522558  1
  H  H127  1  0.966997  0.692070  0.582149  1
  H  H128  1  0.911385  -0.020553  0.534056  1
  H  H129  1  0.939198  0.269653  0.469089  1
  H  H130  1  0.467814  0.736493  0.586470  1
  H  H131  1  0.328408  0.022054  0.535316  1
  H  H132  1  0.205499  0.295278  0.489438  1
  H  H133  1  0.472718  0.461613  0.511175  1
  H  H134  1  0.392273  0.751037  0.467579  1
  H  H135  1  0.430162  0.187855  0.569755  1
  H  H136  1  1.038849  0.403954  0.489704  1
  H  H137  1  0.809303  0.689681  0.444640  1
  H  H138  1  0.994922  0.127619  0.551471  1
  H  H139  1  0.969226  0.469748  0.551890  1
  H  H140  1  1.054250  0.746867  0.526749  1
  H  H141  1  0.914225  0.213574  0.613789  1
  H  H142  1  0.915063  0.613355  0.467283  1
  H  H143  1  0.900078  0.028619  0.578282  1
  H  H144  1  0.888607  0.328753  0.511147  1
  H  H145  1  0.974501  0.613328  0.496741  1
  H  H146  1  0.207790  0.082621  0.590375  1
  H  H147  1  0.913478  0.334970  0.542759  1
  H  H148  1  0.530056  0.693305  0.501949  1
  H  H149  1  0.397121  -0.040875  0.462301  1
  H  H150  1  0.455782  0.405824  0.546911  1
  H  H151  1  0.486692  0.613453  0.456474  1
  H  H152  1  0.440969  0.040351  0.550657  1
  H  H153  1  0.416984  0.330363  0.502598  1
  H  H154  1  0.407911  0.667964  0.494016  1
  H  H155  1  0.601548  0.082594  0.590582  1
  H  H156  1  0.332382  0.376890  0.543053  1
  H  H157  1  0.940856  0.741679  0.544839  1
  H  H158  1  0.908054  0.030445  0.490639  1
  H  H159  1  0.993305  0.498427  0.596708  1
  H  H160  1  0.460341  0.675823  0.542180  1
  H  H161  1  0.407155  -0.037711  0.493420  1
  H  H162  1  0.383314  0.409951  0.590744  1
  H  H163  1  0.667426  0.721457  0.741908  1
  H  H164  1  0.403563  -0.033531  0.690534  1
  H  H165  1  0.412786  0.268689  0.652812  1
  H  H166  1  0.947545  0.813667  0.696679  1
  H  H167  1  0.905897  0.080536  0.625020  1
  H  H168  1  0.917598  0.434662  0.743133  1
  H  H169  1  0.411793  0.639037  0.727494  1
  H  H170  1  0.407118  -0.074101  0.648185  1
  H  H171  1  0.414872  0.228224  0.610641  1
  H  H172  1  0.799646  -0.158269  0.607892  1
  H  H173  1  0.894848  0.308896  0.723713  1
  H  H174  1  0.874313  0.582460  0.682871  1
  H  H175  1  0.815016  0.531536  0.611452  1
  H  H176  1  1.066784  -0.004604  0.739585  1
  H  H177  1  0.909762  0.211773  0.678554  1
  H  H178  1  0.461884  0.561438  0.641040  1
  H  H179  1  0.395736  0.044318  0.732444  1
  H  H180  1  0.405977  0.281086  0.682563  1
  H  H181  1  0.959156  0.789091  0.735820  1
  H  H182  1  0.905692  0.121077  0.670948  1
  H  H183  1  0.900015  0.424016  0.628808  1
  H  H184  1  0.334828  0.796442  0.739755  1
  H  H185  1  0.406155  0.156211  0.704515  1
  H  H186  1  0.467203  0.467322  0.634682  1
  H  H187  1  0.503457  0.603025  0.687140  1
  H  H188  1  0.410417  -0.115135  0.608031  1
  H  H189  1  0.415681  0.365045  0.740486  1
  H  H190  1  1.007312  0.567966  0.654292  1
  H  H191  1  0.922630  0.822418  0.592811  1
  H  H192  1  1.054004  0.298790  0.705357  1
  H  H193  1  1.051477  0.623943  0.725110  1
  H  H194  1  0.884023  -0.082635  0.662056  1
  H  H195  1  0.776831  0.381450  0.747640  1
  H  H196  1  0.974745  0.739862  0.627746  1
  H  H197  1  0.903766  0.109636  0.731843  1
  H  H198  1  0.924925  0.468683  0.676477  1
  H  H199  1  0.981631  0.778361  0.657744  1
  H  H200  1  0.568436  0.212725  0.739353  1
  H  H201  1  0.967660  0.498553  0.697165  1
  H  H202  1  0.352939  -0.150672  0.650730  1
  H  H203  1  0.409710  0.146972  0.616854  1
  H  H204  1  0.433124  0.502066  0.735963  1
  H  H205  1  0.433467  0.753664  0.603345  1
  H  H206  1  0.471268  0.197092  0.721845  1
  H  H207  1  0.339349  0.483249  0.651073  1
  H  H208  1  0.227134  0.820891  0.648920  1
  H  H209  1  0.515972  0.231500  0.723772  1
  H  H210  1  0.258689  0.513339  0.718976  1
  H  H211  1  0.920645  -0.028961  0.729053  1
  H  H212  1  0.910710  0.201822  0.661807  1
  H  H213  1  0.894701  0.693468  0.746809  1
  H  H214  1  0.547841  0.821839  0.695237  1
  H  H215  1  0.407393  0.148478  0.634888  1
  H  H216  1  0.663368  0.466992  0.746294  1
