# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98472116
_cell_length_b   12.39898399
_cell_length_c   46.05497280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.70104330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H270
_cell_volume   5443.71791359
_cell_formula_units_Z   135
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  0.774694  0.480556  0.295730  1
  H  H2  1  0.108027  0.147223  0.295730  1
  H  H3  1  0.156077  0.491018  0.286241  1
  H  H4  1  0.546918  0.509517  0.277123  1
  H  H5  1  0.880251  0.176184  0.277123  1
  H  H6  1  0.213584  0.842850  0.277123  1
  H  H7  1  0.441360  0.813890  0.295730  1
  H  H8  1  0.489411  0.157685  0.286241  1
  H  H9  1  0.822744  0.824352  0.286241  1
  H  H10  1  0.719634  0.670695  0.280460  1
  H  H11  1  0.052967  0.337361  0.280460  1
  H  H12  1  0.129213  0.679887  0.272762  1
  H  H13  1  0.350954  0.655891  0.292264  1
  H  H14  1  0.684287  0.322558  0.292264  1
  H  H15  1  0.017621  0.989224  0.292264  1
  H  H16  1  0.386300  0.004028  0.280460  1
  H  H17  1  0.462546  0.346554  0.272762  1
  H  H18  1  0.795880  0.013220  0.272762  1
  H  H19  1  0.586740  0.454183  0.327185  1
  H  H20  1  0.920073  0.120849  0.327185  1
  H  H21  1  0.982041  0.463712  0.318253  1
  H  H22  1  0.368810  0.475776  0.308113  1
  H  H23  1  0.702143  0.142442  0.308113  1
  H  H24  1  0.035476  0.809109  0.308113  1
  H  H25  1  0.253406  0.787516  0.327185  1
  H  H26  1  0.315374  0.130379  0.318253  1
  H  H27  1  0.648708  0.797046  0.318253  1
  H  H28  1  0.566480  0.634173  0.313693  1
  H  H29  1  0.899814  0.300840  0.313693  1
  H  H30  1  0.951248  0.641924  0.301139  1
  H  H31  1  0.171129  0.626499  0.322496  1
  H  H32  1  0.504462  0.293166  0.322496  1
  H  H33  1  0.837796  0.959833  0.322496  1
  H  H34  1  0.233147  0.967507  0.313693  1
  H  H35  1  0.284581  0.308591  0.301139  1
  H  H36  1  0.617914  0.975257  0.301139  1
  H  H37  1  0.408865  0.426795  0.357383  1
  H  H38  1  0.742198  0.093462  0.357383  1
  H  H39  1  0.799746  0.436725  0.347081  1
  H  H40  1  0.195842  0.443809  0.337362  1
  H  H41  1  0.529176  0.110476  0.337362  1
  H  H42  1  0.862509  0.777143  0.337362  1
  H  H43  1  0.075531  0.760128  0.357383  1
  H  H44  1  0.133080  0.103391  0.347081  1
  H  H45  1  0.466413  0.770058  0.347081  1
  H  H46  1  0.389113  0.607400  0.342651  1
  H  H47  1  0.722447  0.274067  0.342651  1
  H  H48  1  0.782284  0.615883  0.332386  1
  H  H49  1  0.997910  0.597808  0.352380  1
  H  H50  1  0.331244  0.264474  0.352380  1
  H  H51  1  0.664577  0.931141  0.352380  1
  H  H52  1  0.055780  0.940734  0.342651  1
  H  H53  1  0.115618  0.282550  0.332386  1
  H  H54  1  0.448951  0.949216  0.332386  1
  H  H55  1  0.229875  0.398603  0.386957  1
  H  H56  1  0.563209  0.065269  0.386957  1
  H  H57  1  0.622324  0.408158  0.376895  1
  H  H58  1  0.015468  0.416761  0.367203  1
  H  H59  1  0.348801  0.083428  0.367203  1
  H  H60  1  0.682134  0.750095  0.367203  1
  H  H61  1  0.896542  0.731936  0.386957  1
  H  H62  1  0.955657  0.074825  0.376895  1
  H  H63  1  0.288991  0.741491  0.376895  1
  H  H64  1  0.212767  0.578810  0.372298  1
  H  H65  1  0.546101  0.245476  0.372298  1
  H  H66  1  0.605139  0.588384  0.362651  1
  H  H67  1  0.820727  0.569595  0.382231  1
  H  H68  1  0.154060  0.236261  0.382231  1
  H  H69  1  0.487394  0.902928  0.382231  1
  H  H70  1  0.879434  0.912143  0.372298  1
  H  H71  1  0.938472  0.255051  0.362651  1
  H  H72  1  0.271805  0.921717  0.362651  1
  H  H73  1  0.051289  0.370582  0.416621  1
  H  H74  1  0.384623  0.037249  0.416621  1
  H  H75  1  0.444292  0.379918  0.406756  1
  H  H76  1  0.836458  0.389599  0.396711  1
  H  H77  1  0.169792  0.056265  0.396711  1
  H  H78  1  0.503125  0.722932  0.396711  1
  H  H79  1  0.717956  0.703916  0.416621  1
  H  H80  1  0.777625  0.046585  0.406756  1
  H  H81  1  0.110958  0.713251  0.406756  1
  H  H82  1  0.035177  0.550941  0.402184  1
  H  H83  1  0.368510  0.217608  0.402184  1
  H  H84  1  0.427457  0.560497  0.392355  1
  H  H85  1  0.642391  0.541733  0.412175  1
  H  H86  1  0.975725  0.208400  0.412175  1
  H  H87  1  0.309058  0.875066  0.412175  1
  H  H88  1  0.701844  0.884274  0.402184  1
  H  H89  1  0.760790  0.227163  0.392355  1
  H  H90  1  0.094123  0.893830  0.392355  1
  H  H91  1  0.873067  0.342768  0.446370  1
  H  H92  1  0.206400  0.009435  0.446370  1
  H  H93  1  0.265889  0.351989  0.436478  1
  H  H94  1  0.658538  0.361512  0.426539  1
  H  H95  1  0.991871  0.028178  0.426539  1
  H  H96  1  0.325205  0.694845  0.426539  1
  H  H97  1  0.539733  0.676101  0.446370  1
  H  H98  1  0.599222  0.018656  0.436478  1
  H  H99  1  0.932555  0.685322  0.436478  1
  H  H100  1  0.857068  0.522949  0.431990  1
  H  H101  1  0.190401  0.189615  0.431990  1
  H  H102  1  0.249711  0.532290  0.422098  1
  H  H103  1  0.464262  0.513649  0.441987  1
  H  H104  1  0.797595  0.180316  0.441987  1
  H  H105  1  0.130929  0.846983  0.441987  1
  H  H106  1  0.523735  0.856282  0.431990  1
  H  H107  1  0.583044  0.198957  0.422098  1
  H  H108  1  0.916378  0.865623  0.422098  1
  H  H109  1  0.694972  0.314721  0.476177  1
  H  H110  1  0.028305  0.981387  0.476177  1
  H  H111  1  0.087706  0.324017  0.466241  1
  H  H112  1  0.480433  0.333355  0.456337  1
  H  H113  1  0.813766  1.000022  0.456337  1
  H  H114  1  0.147100  0.666688  0.456337  1
  H  H115  1  0.361638  0.648054  0.476177  1
  H  H116  1  0.421040  0.990683  0.466241  1
  H  H117  1  0.754373  0.657350  0.466241  1
  H  H118  1  0.678877  0.494968  0.461829  1
  H  H119  1  0.012211  0.161635  0.461829  1
  H  H120  1  0.071600  0.504247  0.451881  1
  H  H121  1  0.286146  0.485585  0.471766  1
  H  H122  1  0.619480  0.152251  0.471766  1
  H  H123  1  0.952813  0.818918  0.471766  1
  H  H124  1  0.345544  0.828301  0.461829  1
  H  H125  1  0.404933  0.170914  0.451881  1
  H  H126  1  0.738266  0.837580  0.451881  1
  H  H127  1  0.516833  0.286675  0.505984  1
  H  H128  1  0.850166  0.953342  0.505984  1
  H  H129  1  0.909550  0.296029  0.496025  1
  H  H130  1  0.302282  0.305346  0.486111  1
  H  H131  1  0.635616  0.972013  0.486111  1
  H  H132  1  0.968949  0.638680  0.486111  1
  H  H133  1  0.183499  0.620009  0.505984  1
  H  H134  1  0.242884  0.962696  0.496025  1
  H  H135  1  0.576217  0.629363  0.496025  1
  H  H136  1  0.500736  0.466899  0.491633  1
  H  H137  1  0.834069  0.133566  0.491633  1
  H  H138  1  0.893453  0.476253  0.481674  1
  H  H139  1  0.108004  0.457582  0.501547  1
  H  H140  1  0.441337  0.124249  0.501547  1
  H  H141  1  0.774670  0.790915  0.501547  1
  H  H142  1  0.167402  0.800232  0.491633  1
  H  H143  1  0.226787  0.142920  0.481674  1
  H  H144  1  0.560120  0.809587  0.481674  1
  H  H145  1  0.338686  0.258682  0.535777  1
  H  H146  1  0.672020  0.925348  0.535777  1
  H  H147  1  0.731408  0.267961  0.525829  1
  H  H148  1  0.124139  0.277344  0.515892  1
  H  H149  1  0.457473  0.944011  0.515892  1
  H  H150  1  0.790806  0.610677  0.515892  1
  H  H151  1  0.005353  0.592015  0.535777  1
  H  H152  1  0.064742  0.934627  0.525829  1
  H  H153  1  0.398075  0.601294  0.525829  1
  H  H154  1  0.322580  0.438912  0.521417  1
  H  H155  1  0.655913  0.105579  0.521417  1
  H  H156  1  0.715314  0.448208  0.511481  1
  H  H157  1  0.929853  0.429573  0.531321  1
  H  H158  1  0.263186  0.096240  0.531321  1
  H  H159  1  0.596519  0.762907  0.531321  1
  H  H160  1  0.989246  0.772245  0.521417  1
  H  H161  1  0.048647  0.114874  0.511481  1
  H  H162  1  0.381981  0.781541  0.511481  1
  H  H163  1  0.160575  0.230639  0.565560  1
  H  H164  1  0.493908  0.897305  0.565560  1
  H  H165  1  0.553218  0.239980  0.555668  1
  H  H166  1  0.946024  0.249279  0.545671  1
  H  H167  1  0.279357  0.915946  0.545671  1
  H  H168  1  0.612690  0.582612  0.545671  1
  H  H169  1  0.827242  0.563972  0.565560  1
  H  H170  1  0.886551  0.906647  0.555668  1
  H  H171  1  0.219885  0.573313  0.555668  1
  H  H172  1  0.144397  0.410940  0.551180  1
  H  H173  1  0.477730  0.077606  0.551180  1
  H  H174  1  0.537219  0.420160  0.541288  1
  H  H175  1  0.751748  0.401417  0.561119  1
  H  H176  1  0.085081  0.068083  0.561119  1
  H  H177  1  0.418414  0.734750  0.561119  1
  H  H178  1  0.811064  0.744273  0.551180  1
  H  H179  1  0.870553  0.086827  0.541288  1
  H  H180  1  0.203886  0.753494  0.541288  1
  H  H181  1  0.982829  0.202432  0.595303  1
  H  H182  1  0.316162  0.869098  0.595303  1
  H  H183  1  0.375109  0.211987  0.585474  1
  H  H184  1  0.767895  0.221195  0.575484  1
  H  H185  1  0.101228  0.887862  0.575484  1
  H  H186  1  0.434561  0.554529  0.575484  1
  H  H187  1  0.649496  0.535765  0.595303  1
  H  H188  1  0.708442  0.878654  0.585474  1
  H  H189  1  0.041775  0.545321  0.585474  1
  H  H190  1  0.965994  0.383010  0.580902  1
  H  H191  1  0.299328  0.049677  0.580902  1
  H  H192  1  0.358997  0.392346  0.571037  1
  H  H193  1  0.573828  0.373330  0.590947  1
  H  H194  1  0.907161  0.039997  0.590947  1
  H  H195  1  0.240494  0.706663  0.590947  1
  H  H196  1  0.632661  0.716344  0.580902  1
  H  H197  1  0.692330  0.059013  0.571037  1
  H  H198  1  0.025663  0.725679  0.571037  1
  H  H199  1  0.805147  0.174545  0.625007  1
  H  H200  1  0.138481  0.841211  0.625007  1
  H  H201  1  0.197518  0.184119  0.615360  1
  H  H202  1  0.589559  0.193334  0.605427  1
  H  H203  1  0.922892  0.860000  0.605427  1
  H  H204  1  0.256226  0.526667  0.605427  1
  H  H205  1  0.471814  0.507878  0.625007  1
  H  H206  1  0.530852  0.850786  0.615360  1
  H  H207  1  0.864185  0.517452  0.615360  1
  H  H208  1  0.787962  0.354770  0.610763  1
  H  H209  1  0.121295  0.021437  0.610763  1
  H  H210  1  0.180410  0.364326  0.600701  1
  H  H211  1  0.394818  0.346167  0.620455  1
  H  H212  1  0.728152  0.012834  0.620455  1
  H  H213  1  0.061485  0.679501  0.620455  1
  H  H214  1  0.454628  0.688104  0.610763  1
  H  H215  1  0.513744  0.030992  0.600701  1
  H  H216  1  0.847077  0.697659  0.600701  1
  H  H217  1  0.628002  0.147046  0.655272  1
  H  H218  1  0.961335  0.813712  0.655272  1
  H  H219  1  0.021173  0.155528  0.645007  1
  H  H220  1  0.412375  0.165121  0.635278  1
  H  H221  1  0.745709  0.831787  0.635278  1
  H  H222  1  0.079042  0.498454  0.635278  1
  H  H223  1  0.294668  0.480379  0.655272  1
  H  H224  1  0.354506  0.822195  0.645007  1
  H  H225  1  0.687839  0.488861  0.645007  1
  H  H226  1  0.610540  0.326204  0.640577  1
  H  H227  1  0.943873  0.992871  0.640577  1
  H  H228  1  1.001421  0.336133  0.630275  1
  H  H229  1  0.214444  0.319119  0.650296  1
  H  H230  1  0.547777  0.985786  0.650296  1
  H  H231  1  0.881110  0.652452  0.650296  1
  H  H232  1  0.277206  0.659537  0.640577  1
  H  H233  1  0.334754  0.002800  0.630275  1
  H  H234  1  0.668088  0.669467  0.630275  1
  H  H235  1  0.459038  0.121004  0.686519  1
  H  H236  1  0.792372  0.787671  0.686519  1
  H  H237  1  0.843805  0.128755  0.673965  1
  H  H238  1  0.239157  0.136429  0.665162  1
  H  H239  1  0.572490  0.803096  0.665162  1
  H  H240  1  0.905824  0.469762  0.665162  1
  H  H241  1  0.125705  0.454338  0.686519  1
  H  H242  1  0.177139  0.795422  0.673965  1
  H  H243  1  0.510472  0.462088  0.673965  1
  H  H244  1  0.428245  0.299216  0.669405  1
  H  H245  1  0.761578  0.965883  0.669405  1
  H  H246  1  0.823546  0.308746  0.660473  1
  H  H247  1  0.041476  0.287153  0.679545  1
  H  H248  1  0.374810  0.953819  0.679545  1
  H  H249  1  0.708143  0.620486  0.679545  1
  H  H250  1  0.094912  0.632549  0.669405  1
  H  H251  1  0.156880  0.975412  0.660473  1
  H  H252  1  0.490213  0.642079  0.660473  1
  H  H253  1  0.281073  0.083042  0.714896  1
  H  H254  1  0.614406  0.749708  0.714896  1
  H  H255  1  0.690652  0.092234  0.707199  1
  H  H256  1  0.059332  0.107037  0.695394  1
  H  H257  1  0.392665  0.773704  0.695394  1
  H  H258  1  0.725999  0.440371  0.695394  1
  H  H259  1  0.947740  0.416375  0.714896  1
  H  H260  1  0.023986  0.758900  0.707199  1
  H  H261  1  0.357319  0.425567  0.707199  1
  H  H262  1  0.254209  0.271910  0.701417  1
  H  H263  1  0.587542  0.938577  0.701417  1
  H  H264  1  0.635592  0.282372  0.691928  1
  H  H265  1  0.863368  0.253411  0.710535  1
  H  H266  1  0.196701  0.920078  0.710535  1
  H  H267  1  0.530035  0.586745  0.710535  1
  H  H268  1  0.920875  0.605244  0.701417  1
  H  H269  1  0.968925  0.949039  0.691928  1
  H  H270  1  0.302259  0.615705  0.691928  1
