# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.09360113
_cell_length_b   11.40375415
_cell_length_c   50.98443433
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.90081385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   8131.39699139
_cell_formula_units_Z   108
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  0.130190  0.198102  0.330623  1
  H  H2  1  0.463523  0.864769  0.330623  1
  H  H3  1  0.520883  0.291167  0.279341  1
  H  H4  1  0.796856  0.531436  0.330623  1
  H  H5  1  0.854217  0.957834  0.279341  1
  H  H6  1  0.825537  0.244635  0.304982  1
  H  H7  1  0.187550  0.624500  0.279341  1
  H  H8  1  0.158870  0.911301  0.304982  1
  H  H9  1  0.492203  0.577968  0.304982  1
  H  H10  1  0.029161  0.208390  0.271941  1
  H  H11  1  0.362494  0.875056  0.271941  1
  H  H12  1  0.333814  0.161857  0.297582  1
  H  H13  1  0.695828  0.541723  0.271941  1
  H  H14  1  0.667148  0.828524  0.297582  1
  H  H15  1  0.638467  0.115325  0.323223  1
  H  H16  1  0.000481  0.495191  0.297582  1
  H  H17  1  0.971801  0.781992  0.323223  1
  H  H18  1  0.305134  0.448658  0.323223  1
  H  H19  1  0.006543  0.434568  0.292162  1
  H  H20  1  0.339877  0.101234  0.292162  1
  H  H21  1  0.311196  0.388035  0.317803  1
  H  H22  1  0.673210  0.767901  0.292162  1
  H  H23  1  0.644530  0.054702  0.317803  1
  H  H24  1  0.615850  0.341503  0.343444  1
  H  H25  1  0.977863  0.721369  0.317803  1
  H  H26  1  0.949183  0.008170  0.343444  1
  H  H27  1  0.282516  0.674836  0.343444  1
  H  H28  1  0.124127  0.258726  0.336043  1
  H  H29  1  0.457461  0.925392  0.336043  1
  H  H30  1  0.514821  0.351790  0.284761  1
  H  H31  1  0.790794  0.592059  0.336043  1
  H  H32  1  0.848154  0.018457  0.284761  1
  H  H33  1  0.819474  0.305258  0.310402  1
  H  H34  1  0.181488  0.685124  0.284761  1
  H  H35  1  0.152808  0.971925  0.310402  1
  H  H36  1  0.486141  0.638591  0.310402  1
  H  H37  1  0.044149  0.058506  0.407546  1
  H  H38  1  0.377483  0.725172  0.407546  1
  H  H39  1  0.434843  0.151570  0.356264  1
  H  H40  1  0.710816  0.391839  0.407546  1
  H  H41  1  0.768176  0.818237  0.356264  1
  H  H42  1  0.739496  0.105038  0.381905  1
  H  H43  1  0.101510  0.484904  0.356264  1
  H  H44  1  0.072830  0.771705  0.381905  1
  H  H45  1  0.406163  0.438371  0.381905  1
  H  H46  1  0.943121  0.068793  0.348864  1
  H  H47  1  0.276454  0.735460  0.348864  1
  H  H48  1  0.247774  0.022261  0.374505  1
  H  H49  1  0.609787  0.402126  0.348864  1
  H  H50  1  0.581107  0.688927  0.374505  1
  H  H51  1  0.552427  0.975728  0.400146  1
  H  H52  1  0.914441  0.355594  0.374505  1
  H  H53  1  0.885760  0.642395  0.400146  1
  H  H54  1  0.219094  0.309062  0.400146  1
  H  H55  1  0.920503  0.294971  0.369085  1
  H  H56  1  0.253836  0.961637  0.369085  1
  H  H57  1  0.225156  0.248439  0.394726  1
  H  H58  1  0.587170  0.628304  0.369085  1
  H  H59  1  0.558489  0.915105  0.394726  1
  H  H60  1  0.529809  0.201906  0.420367  1
  H  H61  1  0.891823  0.581772  0.394726  1
  H  H62  1  0.863143  0.868573  0.420367  1
  H  H63  1  0.196476  0.535240  0.420367  1
  H  H64  1  0.038087  0.119129  0.412966  1
  H  H65  1  0.371420  0.785796  0.412966  1
  H  H66  1  0.428781  0.212193  0.361684  1
  H  H67  1  0.704754  0.452462  0.412966  1
  H  H68  1  0.762114  0.878860  0.361684  1
  H  H69  1  0.733434  0.165661  0.387325  1
  H  H70  1  0.095447  0.545527  0.361684  1
  H  H71  1  0.066767  0.832328  0.387325  1
  H  H72  1  0.400101  0.498995  0.387325  1
  H  H73  1  0.958109  0.918909  0.484470  1
  H  H74  1  0.291442  0.585576  0.484470  1
  H  H75  1  0.348803  0.011974  0.433187  1
  H  H76  1  0.624776  0.252242  0.484470  1
  H  H77  1  0.682136  0.678640  0.433187  1
  H  H78  1  0.653456  0.965441  0.458828  1
  H  H79  1  0.015469  0.345307  0.433187  1
  H  H80  1  0.986789  0.632108  0.458828  1
  H  H81  1  0.320123  0.298775  0.458828  1
  H  H82  1  0.857080  0.929196  0.425787  1
  H  H83  1  0.190414  0.595863  0.425787  1
  H  H84  1  0.161734  0.882664  0.451428  1
  H  H85  1  0.523747  0.262529  0.425787  1
  H  H86  1  0.495067  0.549331  0.451428  1
  H  H87  1  0.466387  0.836132  0.477069  1
  H  H88  1  0.828400  0.215997  0.451428  1
  H  H89  1  0.799720  0.502798  0.477069  1
  H  H90  1  0.133053  0.169465  0.477069  1
  H  H91  1  0.834463  0.155374  0.446008  1
  H  H92  1  0.167796  0.822041  0.446008  1
  H  H93  1  0.139116  0.108842  0.471649  1
  H  H94  1  0.501129  0.488707  0.446008  1
  H  H95  1  0.472449  0.775508  0.471649  1
  H  H96  1  0.443769  0.062310  0.497290  1
  H  H97  1  0.805782  0.442175  0.471649  1
  H  H98  1  0.777102  0.728976  0.497290  1
  H  H99  1  0.110436  0.395643  0.497290  1
  H  H100  1  0.952047  0.979532  0.489889  1
  H  H101  1  0.285380  0.646199  0.489889  1
  H  H102  1  0.342740  0.072597  0.438607  1
  H  H103  1  0.618713  0.312866  0.489889  1
  H  H104  1  0.676074  0.739263  0.438607  1
  H  H105  1  0.647394  0.026064  0.464248  1
  H  H106  1  0.009407  0.405930  0.438607  1
  H  H107  1  0.980727  0.692731  0.464248  1
  H  H108  1  0.314060  0.359398  0.464248  1
  H  H109  1  0.872069  0.779312  0.561393  1
  H  H110  1  0.205402  0.445979  0.561393  1
  H  H111  1  0.262762  0.872377  0.510111  1
  H  H112  1  0.538735  0.112646  0.561393  1
  H  H113  1  0.596096  0.539043  0.510111  1
  H  H114  1  0.567416  0.825845  0.535752  1
  H  H115  1  0.929429  0.205710  0.510111  1
  H  H116  1  0.900749  0.492511  0.535752  1
  H  H117  1  0.234082  0.159178  0.535752  1
  H  H118  1  0.771040  0.789599  0.502710  1
  H  H119  1  0.104373  0.456266  0.502710  1
  H  H120  1  0.075693  0.743067  0.528351  1
  H  H121  1  0.437707  0.122933  0.502710  1
  H  H122  1  0.409027  0.409734  0.528351  1
  H  H123  1  0.380347  0.696535  0.553992  1
  H  H124  1  0.742360  0.076401  0.528351  1
  H  H125  1  0.713680  0.363202  0.553992  1
  H  H126  1  0.047013  0.029868  0.553992  1
  H  H127  1  0.748422  0.015777  0.522931  1
  H  H128  1  0.081756  0.682444  0.522931  1
  H  H129  1  0.053075  0.969245  0.548572  1
  H  H130  1  0.415089  0.349111  0.522931  1
  H  H131  1  0.386409  0.635912  0.548572  1
  H  H132  1  0.357729  0.922713  0.574213  1
  H  H133  1  0.719742  0.302578  0.548572  1
  H  H134  1  0.691062  0.589379  0.574213  1
  H  H135  1  0.024395  0.256046  0.574213  1
  H  H136  1  0.866006  0.839935  0.566813  1
  H  H137  1  0.199340  0.506602  0.566813  1
  H  H138  1  0.256700  0.933000  0.515530  1
  H  H139  1  0.532673  0.173269  0.566813  1
  H  H140  1  0.590033  0.599667  0.515530  1
  H  H141  1  0.561353  0.886468  0.541172  1
  H  H142  1  0.923367  0.266333  0.515530  1
  H  H143  1  0.894687  0.553134  0.541172  1
  H  H144  1  0.228020  0.219801  0.541172  1
  H  H145  1  0.786028  0.639716  0.638316  1
  H  H146  1  0.119362  0.306382  0.638316  1
  H  H147  1  0.176722  0.732780  0.587034  1
  H  H148  1  0.452695  0.973049  0.638316  1
  H  H149  1  0.510055  0.399447  0.587034  1
  H  H150  1  0.481375  0.686248  0.612675  1
  H  H151  1  0.843389  0.066113  0.587034  1
  H  H152  1  0.814709  0.352914  0.612675  1
  H  H153  1  0.148042  0.019581  0.612675  1
  H  H154  1  0.685000  0.650003  0.579633  1
  H  H155  1  0.018333  0.316669  0.579633  1
  H  H156  1  0.989653  0.603470  0.605274  1
  H  H157  1  0.351666  0.983336  0.579633  1
  H  H158  1  0.322986  0.270137  0.605274  1
  H  H159  1  0.294306  0.556938  0.630915  1
  H  H160  1  0.656320  0.936804  0.605274  1
  H  H161  1  0.627640  0.223605  0.630915  1
  H  H162  1  0.960973  0.890272  0.630915  1
  H  H163  1  0.662382  0.876181  0.599854  1
  H  H164  1  0.995715  0.542847  0.599854  1
  H  H165  1  0.967035  0.829648  0.625495  1
  H  H166  1  0.329049  0.209514  0.599854  1
  H  H167  1  0.300369  0.496315  0.625495  1
  H  H168  1  0.271688  0.783116  0.651136  1
  H  H169  1  0.633702  0.162982  0.625495  1
  H  H170  1  0.605022  0.449783  0.651136  1
  H  H171  1  0.938355  0.116449  0.651136  1
  H  H172  1  0.779966  0.700339  0.643736  1
  H  H173  1  0.113299  0.367005  0.643736  1
  H  H174  1  0.170660  0.793403  0.592454  1
  H  H175  1  0.446633  0.033672  0.643736  1
  H  H176  1  0.503993  0.460070  0.592454  1
  H  H177  1  0.475313  0.746871  0.618095  1
  H  H178  1  0.837326  0.126737  0.592454  1
  H  H179  1  0.808646  0.413538  0.618095  1
  H  H180  1  0.141980  0.080204  0.618095  1
  H  H181  1  0.699988  0.500119  0.715239  1
  H  H182  1  0.033321  0.166785  0.715239  1
  H  H183  1  0.090682  0.593183  0.663957  1
  H  H184  1  0.366655  0.833452  0.715239  1
  H  H185  1  0.424015  0.259850  0.663957  1
  H  H186  1  0.395335  0.546651  0.689598  1
  H  H187  1  0.757348  0.926517  0.663957  1
  H  H188  1  0.728668  0.213318  0.689598  1
  H  H189  1  0.062002  0.879984  0.689598  1
  H  H190  1  0.598959  0.510406  0.656556  1
  H  H191  1  0.932293  0.177073  0.656556  1
  H  H192  1  0.903613  0.463874  0.682197  1
  H  H193  1  0.265626  0.843739  0.656556  1
  H  H194  1  0.236946  0.130540  0.682197  1
  H  H195  1  0.208266  0.417341  0.707838  1
  H  H196  1  0.570279  0.797207  0.682197  1
  H  H197  1  0.541599  0.084008  0.707838  1
  H  H198  1  0.874933  0.750675  0.707838  1
  H  H199  1  0.576342  0.736584  0.676777  1
  H  H200  1  0.909675  0.403250  0.676777  1
  H  H201  1  0.880995  0.690052  0.702418  1
  H  H202  1  0.243008  0.069917  0.676777  1
  H  H203  1  0.214328  0.356718  0.702418  1
  H  H204  1  0.185648  0.643519  0.728059  1
  H  H205  1  0.547662  0.023385  0.702418  1
  H  H206  1  0.518981  0.310186  0.728059  1
  H  H207  1  0.852315  0.976853  0.728059  1
  H  H208  1  0.693926  0.560742  0.720659  1
  H  H209  1  0.027259  0.227409  0.720659  1
  H  H210  1  0.084619  0.653806  0.669377  1
  H  H211  1  0.360592  0.894075  0.720659  1
  H  H212  1  0.417953  0.320473  0.669377  1
  H  H213  1  0.389273  0.607274  0.695018  1
  H  H214  1  0.751286  0.987140  0.669377  1
  H  H215  1  0.722606  0.273941  0.695018  1
  H  H216  1  0.055939  0.940608  0.695018  1
