# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.93515438
_cell_length_b   10.30610485
_cell_length_c   37.57552884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.15527427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H252
_cell_volume   5392.67321892
_cell_formula_units_Z   126
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
  H  H1  1  0.356384  0.398830  0.431044  1
  H  H2  1  0.196172  0.322644  0.434361  1
  H  H3  1  1.030393  0.383055  0.436638  1
  H  H4  1  1.007466  -0.008301  0.426722  1
  H  H5  1  0.825629  0.104030  0.412779  1
  H  H6  1  0.853421  -0.105744  0.431772  1
  H  H7  1  0.678203  0.412799  0.426667  1
  H  H8  1  0.659152  0.025941  0.416190  1
  H  H9  1  0.650460  0.622776  0.407509  1
  H  H10  1  0.466354  0.152947  0.400816  1
  H  H11  1  0.500423  -0.060635  0.419952  1
  H  H12  1  0.484029  0.546550  0.409979  1
  H  H13  1  0.336886  0.008113  0.421755  1
  H  H14  1  0.320056  0.609581  0.412151  1
  H  H15  1  0.172857  -0.069176  0.425171  1
  H  H16  1  0.156689  0.532629  0.415494  1
  H  H17  1  0.993436  0.593374  0.417617  1
  H  H18  1  0.831946  0.509121  0.421686  1
  H  H19  1  0.410967  0.594212  0.464177  1
  H  H20  1  0.250290  0.519239  0.466669  1
  H  H21  1  0.086605  0.577508  0.469684  1
  H  H22  1  0.067140  0.177861  0.456735  1
  H  H23  1  0.872299  0.300540  0.441775  1
  H  H24  1  0.908773  0.097658  0.465334  1
  H  H25  1  0.732066  0.614917  0.460329  1
  H  H26  1  0.713356  0.214256  0.447793  1
  H  H27  1  0.695829  0.817419  0.436902  1
  H  H28  1  0.520084  0.340698  0.430950  1
  H  H29  1  0.554078  0.137193  0.452738  1
  H  H30  1  0.535208  0.737143  0.440777  1
  H  H31  1  0.389883  0.197819  0.453951  1
  H  H32  1  0.372675  0.799439  0.441856  1
  H  H33  1  0.228970  0.121334  0.456236  1
  H  H34  1  0.209644  0.725349  0.445902  1
  H  H35  1  0.047080  0.782670  0.447285  1
  H  H36  1  0.887220  0.697594  0.453872  1
  H  H37  1  0.465325  0.791465  0.494034  1
  H  H38  1  0.305043  0.714073  0.496961  1
  H  H39  1  0.142162  0.772849  0.499616  1
  H  H40  1  0.124340  0.373272  0.488514  1
  H  H41  1  0.927864  0.495364  0.473535  1
  H  H42  1  0.965894  0.293034  0.493650  1
  H  H43  1  0.787079  0.811438  0.489418  1
  H  H44  1  0.770274  0.412141  0.478752  1
  H  H45  1  0.751968  0.012486  0.468457  1
  H  H46  1  0.574097  0.534525  0.462258  1
  H  H47  1  0.610771  0.332438  0.482936  1
  H  H48  1  0.592074  -0.065927  0.472048  1
  H  H49  1  0.447463  0.392255  0.484110  1
  H  H50  1  0.428995  -0.006043  0.473833  1
  H  H51  1  0.286416  0.316915  0.487331  1
  H  H52  1  0.267907  -0.081966  0.476997  1
  H  H53  1  0.103606  -0.025416  0.479487  1
  H  H54  1  0.945232  -0.105885  0.484025  1
  H  H55  1  0.521723  -0.012846  0.525105  1
  H  H56  1  0.361107  -0.090811  0.528180  1
  H  H57  1  0.198439  -0.031008  0.530290  1
  H  H58  1  0.180764  0.569917  0.520013  1
  H  H59  1  0.983857  0.691805  0.504021  1
  H  H60  1  1.021850  0.488245  0.524346  1
  H  H61  1  0.843872  0.006898  0.519747  1
  H  H62  1  0.826865  0.607657  0.509906  1
  H  H63  1  0.806430  0.210581  0.499081  1
  H  H64  1  0.627072  0.731667  0.492605  1
  H  H65  1  0.666034  0.527821  0.513533  1
  H  H66  1  0.647951  0.129052  0.503070  1
  H  H67  1  0.503495  0.588563  0.515111  1
  H  H68  1  0.484342  0.190422  0.505126  1
  H  H69  1  0.342784  0.510781  0.518079  1
  H  H70  1  0.323438  0.112369  0.507690  1
  H  H71  1  0.160598  0.171438  0.509478  1
  H  H72  1  1.003208  0.090144  0.514691  1
  H  H73  1  0.578081  0.182617  0.556172  1
  H  H74  1  0.416897  0.104576  0.559139  1
  H  H75  1  0.254263  0.164796  0.560977  1
  H  H76  1  0.236160  0.766041  0.550608  1
  H  H77  1  0.039582  -0.113137  0.534884  1
  H  H78  1  0.077521  0.684162  0.555121  1
  H  H79  1  0.900538  0.202285  0.549882  1
  H  H80  1  0.881788  0.803489  0.539894  1
  H  H81  1  0.863914  0.404899  0.529601  1
  H  H82  1  0.683976  -0.073326  0.523460  1
  H  H83  1  0.721425  0.723091  0.543654  1
  H  H84  1  0.703665  0.325254  0.533822  1
  H  H85  1  0.558679  0.784191  0.545801  1
  H  H86  1  0.540403  0.385801  0.535679  1
  H  H87  1  0.398139  0.706014  0.548616  1
  H  H88  1  0.379449  0.307754  0.538626  1
  H  H89  1  0.216795  0.367348  0.540423  1
  H  H90  1  0.058528  0.285815  0.544834  1
  H  H91  1  0.634340  0.378124  0.586977  1
  H  H92  1  0.473048  0.300032  0.589972  1
  H  H93  1  0.310322  0.360294  0.591956  1
  H  H94  1  0.291732  -0.038125  0.581622  1
  H  H95  1  0.095797  0.082924  0.565538  1
  H  H96  1  0.133105  -0.119955  0.585946  1
  H  H97  1  0.956856  0.397841  0.580773  1
  H  H98  1  0.937610  -0.000602  0.570499  1
  H  H99  1  0.920243  0.600599  0.560425  1
  H  H100  1  0.740728  0.122180  0.554253  1
  H  H101  1  0.777888  -0.081441  0.574474  1
  H  H102  1  0.760023  0.520240  0.564412  1
  H  H103  1  0.615069  -0.020365  0.576648  1
  H  H104  1  0.596647  0.581268  0.566493  1
  H  H105  1  0.454146  -0.098311  0.579624  1
  H  H106  1  0.435640  0.503130  0.569463  1
  H  H107  1  0.273192  0.563165  0.571384  1
  H  H108  1  0.114331  0.481643  0.575659  1
  H  H109  1  0.690524  0.573305  0.617630  1
  H  H110  1  0.529190  0.495372  0.620667  1
  H  H111  1  0.366324  0.555987  0.622751  1
  H  H112  1  0.347671  0.157468  0.612494  1
  H  H113  1  0.151277  0.278901  0.596131  1
  H  H114  1  0.188545  0.076186  0.616661  1
  H  H115  1  1.012842  0.593726  0.611585  1
  H  H116  1  0.993523  0.195213  0.601131  1
  H  H117  1  0.975248  0.796385  0.590956  1
  H  H118  1  0.797456  0.317261  0.584851  1
  H  H119  1  0.834381  0.114411  0.605386  1
  H  H120  1  0.815526  0.715487  0.594843  1
  H  H121  1  0.671584  0.175233  0.607518  1
  H  H122  1  0.652800  0.776418  0.597085  1
  H  H123  1  0.510389  0.097211  0.610547  1
  H  H124  1  0.491439  0.698529  0.600120  1
  H  H125  1  0.329100  0.758945  0.602156  1
  H  H126  1  0.170321  0.677656  0.606428  1
  H  H127  1  0.746454  0.768854  0.648381  1
  H  H128  1  0.585321  0.690585  0.651317  1
  H  H129  1  0.422525  0.751751  0.653537  1
  H  H130  1  0.403915  0.352968  0.643387  1
  H  H131  1  0.207106  0.474848  0.626863  1
  H  H132  1  0.244243  0.272074  0.647348  1
  H  H133  1  0.068174  0.789612  0.642198  1
  H  H134  1  0.049708  0.390957  0.632087  1
  H  H135  1  1.030592  -0.007592  0.621565  1
  H  H136  1  0.853430  0.512718  0.615602  1
  H  H137  1  0.890722  0.309962  0.636317  1
  H  H138  1  0.871440  -0.088803  0.625714  1
  H  H139  1  0.728147  0.370287  0.638247  1
  H  H140  1  0.708887  -0.027988  0.627841  1
  H  H141  1  0.566626  0.292624  0.641357  1
  H  H142  1  0.547800  -0.106131  0.630874  1
  H  H143  1  0.385084  -0.045342  0.633034  1
  H  H144  1  0.226025  -0.126436  0.637273  1
  H  H145  1  0.802234  -0.035486  0.679128  1
  H  H146  1  0.641225  -0.113618  0.682140  1
  H  H147  1  0.478834  -0.052775  0.684172  1
  H  H148  1  0.459974  0.548324  0.673856  1
  H  H149  1  0.263262  0.670912  0.657701  1
  H  H150  1  0.300054  0.467716  0.677891  1
  H  H151  1  0.123106  -0.014252  0.672667  1
  H  H152  1  0.105728  0.586826  0.662798  1
  H  H153  1  0.086463  0.188512  0.652454  1
  H  H154  1  0.908944  0.708141  0.646249  1
  H  H155  1  0.946549  0.505261  0.666983  1
  H  H156  1  0.927826  0.107149  0.656809  1
  H  H157  1  0.783902  0.565503  0.668889  1
  H  H158  1  0.765267  0.167430  0.658801  1
  H  H159  1  0.622857  0.487427  0.671886  1
  H  H160  1  0.604233  0.089597  0.661815  1
  H  H161  1  0.441190  0.150408  0.663891  1
  H  H162  1  0.281426  0.069476  0.667828  1
  H  H163  1  0.858406  0.159738  0.710269  1
  H  H164  1  0.697664  0.082099  0.713389  1
  H  H165  1  0.535070  0.142825  0.715043  1
  H  H166  1  0.516436  0.744006  0.704570  1
  H  H167  1  0.319375  -0.133299  0.688447  1
  H  H168  1  0.357090  0.663551  0.708592  1
  H  H169  1  0.179418  0.181849  0.703700  1
  H  H170  1  0.161292  0.782767  0.693372  1
  H  H171  1  0.142817  0.384088  0.683400  1
  H  H172  1  0.964496  -0.096132  0.677032  1
  H  H173  1  1.002291  0.700664  0.697662  1
  H  H174  1  0.984027  0.302697  0.687945  1
  H  H175  1  0.839864  0.760930  0.699680  1
  H  H176  1  0.821456  0.362613  0.689778  1
  H  H177  1  0.678858  0.682793  0.702620  1
  H  H178  1  0.660585  0.284775  0.692640  1
  H  H179  1  0.497474  0.345930  0.694785  1
  H  H180  1  0.337087  0.265364  0.698579  1
  H  H181  1  0.914753  0.353785  0.741421  1
  H  H182  1  0.753974  0.277194  0.744390  1
  H  H183  1  0.591903  0.337501  0.745832  1
  H  H184  1  0.571611  -0.059324  0.735395  1
  H  H185  1  0.375226  0.062396  0.718675  1
  H  H186  1  0.413922  0.858889  0.739213  1
  H  H187  1  0.235615  0.377065  0.734888  1
  H  H188  1  0.215892  -0.021059  0.723349  1
  H  H189  1  0.199288  0.579447  0.713879  1
  H  H190  1  1.021126  0.099977  0.708368  1
  H  H191  1  0.057460  -0.103534  0.728165  1
  H  H192  1  0.039735  0.498058  0.718271  1
  H  H193  1  0.895348  -0.043472  0.730453  1
  H  H194  1  0.876872  0.557362  0.720222  1
  H  H195  1  0.734436  -0.121555  0.733037  1
  H  H196  1  0.715791  0.479915  0.723213  1
  H  H197  1  0.553234  0.541412  0.724917  1
  H  H198  1  0.392223  0.461619  0.728745  1
  H  H199  1  0.969703  0.547348  0.771292  1
  H  H200  1  0.808434  0.473497  0.774030  1
  H  H201  1  0.645665  0.535094  0.776152  1
  H  H202  1  0.627216  0.135435  0.766510  1
  H  H203  1  0.431396  0.257994  0.749139  1
  H  H204  1  0.467235  0.057226  0.770046  1
  H  H205  1  0.291319  0.574474  0.765334  1
  H  H206  1  0.273099  0.174451  0.754613  1
  H  H207  1  0.255994  0.774583  0.744069  1
  H  H208  1  0.077912  0.295791  0.739489  1
  H  H209  1  0.114919  0.093045  0.759672  1
  H  H210  1  0.096814  0.694063  0.748705  1
  H  H211  1  0.951680  0.150465  0.761678  1
  H  H212  1  0.932848  0.751426  0.750868  1
  H  H213  1  0.790759  0.075043  0.764831  1
  H  H214  1  0.771627  0.675989  0.753963  1
  H  H215  1  0.608920  0.737196  0.755651  1
  H  H216  1  0.449236  0.657528  0.759837  1
  H  H217  1  1.025595  0.739363  0.801503  1
  H  H218  1  0.863561  0.665920  0.805984  1
  H  H219  1  0.701909  0.729918  0.807739  1
  H  H220  1  0.683856  0.332415  0.797630  1
  H  H221  1  0.487532  0.454838  0.778182  1
  H  H222  1  0.522678  0.252165  0.801607  1
  H  H223  1  0.346780  0.769251  0.796738  1
  H  H224  1  0.332209  0.372411  0.785098  1
  H  H225  1  0.310939  -0.029106  0.772851  1
  H  H226  1  0.133089  0.492676  0.769336  1
  H  H227  1  0.172815  0.285866  0.792136  1
  H  H228  1  0.153712  -0.111460  0.778301  1
  H  H229  1  1.010184  0.344106  0.792928  1
  H  H230  1  0.989266  -0.054019  0.781359  1
  H  H231  1  0.847148  0.269899  0.796639  1
  H  H232  1  0.827998  -0.129082  0.783651  1
  H  H233  1  0.665193  -0.067618  0.785804  1
  H  H234  1  0.505719  0.855552  0.790728  1
  H  H235  1  0.084957  -0.073994  0.832285  1
  H  H236  1  0.918484  0.853701  0.835959  1
  H  H237  1  0.753177  -0.080581  0.837687  1
  H  H238  1  0.735876  0.523145  0.828397  1
  H  H239  1  0.542958  0.657616  0.811793  1
  H  H240  1  0.569127  0.446992  0.830964  1
  H  H241  1  0.392815  -0.034834  0.825777  1
  H  H242  1  0.388701  0.561391  0.816972  1
  H  H243  1  0.364497  0.174430  0.806724  1
  H  H244  1  0.188768  0.691054  0.802542  1
  H  H245  1  0.225940  0.479684  0.821080  1
  H  H246  1  0.211402  0.072737  0.811613  1
  H  H247  1  0.061918  0.538651  0.823616  1
  H  H248  1  0.045365  0.139171  0.813857  1
  H  H249  1  0.899525  0.459404  0.826504  1
  H  H250  1  0.883772  0.063442  0.816663  1
  H  H251  1  0.719264  0.131076  0.818612  1
  H  H252  1  0.560048  0.043879  0.822318  1
