# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.58738819
_cell_length_b   6.18476959
_cell_length_c   47.23577262
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.92726248
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H168
_cell_volume   4417.06897654
_cell_formula_units_Z   84
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  0.320267  0.018302  0.309052  1
  H  H2  1  0.640366  0.822142  0.329886  1
  H  H3  1  0.000168  0.214462  0.288219  1
  H  H4  1  0.134667  0.381206  0.338856  1
  H  H5  1  0.494470  0.773525  0.297189  1
  H  H6  1  0.814568  0.577365  0.318023  1
  H  H7  1  0.468290  0.733997  0.286144  1
  H  H8  1  0.788389  0.537837  0.306978  1
  H  H9  1  0.108488  0.341677  0.327811  1
  H  H10  1  0.282691  0.096900  0.315948  1
  H  H11  1  0.602790  0.900741  0.336781  1
  H  H12  1  0.962592  0.293060  0.295115  1
  H  H13  1  0.140366  0.822142  0.329886  1
  H  H14  1  0.500168  0.214462  0.288219  1
  H  H15  1  0.820267  0.018302  0.309052  1
  H  H16  1  0.314568  0.577365  0.318023  1
  H  H17  1  0.634667  0.381206  0.338856  1
  H  H18  1  0.994470  0.773525  0.297189  1
  H  H19  1  0.288389  0.537837  0.306978  1
  H  H20  1  0.608488  0.341677  0.327811  1
  H  H21  1  0.968290  0.733997  0.286144  1
  H  H22  1  0.462592  0.293060  0.295115  1
  H  H23  1  0.782691  0.096900  0.315948  1
  H  H24  1  0.102790  0.900741  0.336781  1
  H  H25  1  0.280564  0.429822  0.371552  1
  H  H26  1  0.600662  0.233662  0.392386  1
  H  H27  1  0.960465  0.625982  0.350719  1
  H  H28  1  0.094964  0.792726  0.401356  1
  H  H29  1  0.454766  0.185046  0.359689  1
  H  H30  1  0.774865  0.988886  0.380523  1
  H  H31  1  0.428587  0.145517  0.348644  1
  H  H32  1  0.748686  0.949357  0.369478  1
  H  H33  1  0.068785  0.753197  0.390311  1
  H  H34  1  0.242987  0.508421  0.378448  1
  H  H35  1  0.563086  0.312261  0.399281  1
  H  H36  1  0.922888  0.704581  0.357615  1
  H  H37  1  0.100662  0.233662  0.392386  1
  H  H38  1  0.460465  0.625982  0.350719  1
  H  H39  1  0.780564  0.429822  0.371552  1
  H  H40  1  0.274865  0.988886  0.380523  1
  H  H41  1  0.594964  0.792726  0.401356  1
  H  H42  1  0.954766  0.185046  0.359689  1
  H  H43  1  0.248686  0.949357  0.369478  1
  H  H44  1  0.568785  0.753197  0.390311  1
  H  H45  1  0.928587  0.145517  0.348644  1
  H  H46  1  0.422888  0.704581  0.357615  1
  H  H47  1  0.742987  0.508421  0.378448  1
  H  H48  1  0.063086  0.312261  0.399281  1
  H  H49  1  0.240860  0.841342  0.434052  1
  H  H50  1  0.560959  0.645182  0.454886  1
  H  H51  1  0.920761  0.037502  0.413219  1
  H  H52  1  0.055261  0.204246  0.463856  1
  H  H53  1  0.415063  0.596566  0.422189  1
  H  H54  1  0.735162  0.400406  0.443023  1
  H  H55  1  0.388884  0.557037  0.411144  1
  H  H56  1  0.708982  0.360877  0.431978  1
  H  H57  1  0.029081  0.164717  0.452811  1
  H  H58  1  0.203284  0.919941  0.440948  1
  H  H59  1  0.523383  0.723781  0.461781  1
  H  H60  1  0.883185  0.116101  0.420115  1
  H  H61  1  0.060959  0.645182  0.454886  1
  H  H62  1  0.420761  0.037502  0.413219  1
  H  H63  1  0.740860  0.841342  0.434052  1
  H  H64  1  0.235162  0.400406  0.443023  1
  H  H65  1  0.555261  0.204246  0.463856  1
  H  H66  1  0.915063  0.596566  0.422189  1
  H  H67  1  0.208982  0.360877  0.431978  1
  H  H68  1  0.529081  0.164717  0.452811  1
  H  H69  1  0.888884  0.557037  0.411144  1
  H  H70  1  0.383185  0.116101  0.420115  1
  H  H71  1  0.703284  0.919941  0.440948  1
  H  H72  1  0.023383  0.723781  0.461781  1
  H  H73  1  0.201157  0.252862  0.496552  1
  H  H74  1  0.521256  0.056703  0.517386  1
  H  H75  1  0.881058  0.449022  0.475719  1
  H  H76  1  0.015558  0.615766  0.526356  1
  H  H77  1  0.375360  0.008086  0.484689  1
  H  H78  1  0.695459  0.811926  0.505523  1
  H  H79  1  0.349180  0.968557  0.473644  1
  H  H80  1  0.669279  0.772397  0.494478  1
  H  H81  1  0.989378  0.576238  0.515311  1
  H  H82  1  0.163581  0.331461  0.503448  1
  H  H83  1  0.483680  0.135301  0.524281  1
  H  H84  1  0.843482  0.527621  0.482615  1
  H  H85  1  0.021256  0.056703  0.517386  1
  H  H86  1  0.381058  0.449022  0.475719  1
  H  H87  1  0.701157  0.252862  0.496552  1
  H  H88  1  0.195459  0.811926  0.505523  1
  H  H89  1  0.515558  0.615766  0.526356  1
  H  H90  1  0.875360  0.008086  0.484689  1
  H  H91  1  0.169279  0.772397  0.494478  1
  H  H92  1  0.489378  0.576238  0.515311  1
  H  H93  1  0.849180  0.968557  0.473644  1
  H  H94  1  0.343482  0.527621  0.482615  1
  H  H95  1  0.663581  0.331461  0.503448  1
  H  H96  1  0.983680  0.135301  0.524281  1
  H  H97  1  0.161454  0.664383  0.559052  1
  H  H98  1  0.481553  0.468223  0.579886  1
  H  H99  1  0.841355  0.860543  0.538219  1
  H  H100  1  0.975854  0.027286  0.588856  1
  H  H101  1  0.335656  0.419606  0.547189  1
  H  H102  1  0.655755  0.223446  0.568023  1
  H  H103  1  0.309477  0.380078  0.536144  1
  H  H104  1  0.629576  0.183918  0.556978  1
  H  H105  1  0.949675  0.987758  0.577811  1
  H  H106  1  0.123878  0.742981  0.565948  1
  H  H107  1  0.443976  0.546821  0.586781  1
  H  H108  1  0.803779  0.939141  0.545115  1
  H  H109  1  0.981553  0.468223  0.579886  1
  H  H110  1  0.341355  0.860543  0.538219  1
  H  H111  1  0.661454  0.664383  0.559052  1
  H  H112  1  0.155755  0.223446  0.568023  1
  H  H113  1  0.475854  0.027286  0.588856  1
  H  H114  1  0.835656  0.419606  0.547189  1
  H  H115  1  0.129576  0.183918  0.556978  1
  H  H116  1  0.449675  0.987758  0.577811  1
  H  H117  1  0.809477  0.380078  0.536144  1
  H  H118  1  0.303779  0.939141  0.545115  1
  H  H119  1  0.623878  0.742981  0.565948  1
  H  H120  1  0.943976  0.546821  0.586781  1
  H  H121  1  0.121751  0.075903  0.621552  1
  H  H122  1  0.441849  0.879743  0.642386  1
  H  H123  1  0.801652  0.272063  0.600719  1
  H  H124  1  0.936151  0.438807  0.651356  1
  H  H125  1  0.295953  0.831127  0.609689  1
  H  H126  1  0.616052  0.634967  0.630523  1
  H  H127  1  0.269774  0.791598  0.598644  1
  H  H128  1  0.589873  0.595438  0.619478  1
  H  H129  1  0.909972  0.399278  0.640311  1
  H  H130  1  0.084174  0.154502  0.628448  1
  H  H131  1  0.404273  0.958342  0.649281  1
  H  H132  1  0.764075  0.350662  0.607615  1
  H  H133  1  0.941849  0.879743  0.642386  1
  H  H134  1  0.301652  0.272063  0.600719  1
  H  H135  1  0.621751  0.075903  0.621552  1
  H  H136  1  0.116052  0.634967  0.630523  1
  H  H137  1  0.436151  0.438807  0.651356  1
  H  H138  1  0.795953  0.831127  0.609689  1
  H  H139  1  0.089873  0.595438  0.619478  1
  H  H140  1  0.409972  0.399278  0.640311  1
  H  H141  1  0.769774  0.791598  0.598644  1
  H  H142  1  0.264075  0.350662  0.607615  1
  H  H143  1  0.584174  0.154502  0.628448  1
  H  H144  1  0.904273  0.958342  0.649281  1
  H  H145  1  0.082047  0.487423  0.684052  1
  H  H146  1  0.402146  0.291263  0.704886  1
  H  H147  1  0.761948  0.683583  0.663219  1
  H  H148  1  0.896448  0.850327  0.713856  1
  H  H149  1  0.256250  0.242647  0.672189  1
  H  H150  1  0.576349  0.046487  0.693023  1
  H  H151  1  0.230071  0.203118  0.661144  1
  H  H152  1  0.550169  0.006958  0.681978  1
  H  H153  1  0.870268  0.810798  0.702811  1
  H  H154  1  0.044471  0.566022  0.690948  1
  H  H155  1  0.364570  0.369862  0.711781  1
  H  H156  1  0.724372  0.762182  0.670115  1
  H  H157  1  0.902146  0.291263  0.704886  1
  H  H158  1  0.261948  0.683583  0.663219  1
  H  H159  1  0.582047  0.487423  0.684052  1
  H  H160  1  0.076349  0.046487  0.693023  1
  H  H161  1  0.396448  0.850327  0.713856  1
  H  H162  1  0.756250  0.242647  0.672189  1
  H  H163  1  0.050169  0.006958  0.681978  1
  H  H164  1  0.370268  0.810798  0.702811  1
  H  H165  1  0.730071  0.203118  0.661144  1
  H  H166  1  0.224372  0.762182  0.670115  1
  H  H167  1  0.544471  0.566022  0.690948  1
  H  H168  1  0.864570  0.369862  0.711781  1
