# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93874692
_cell_length_b   16.43805377
_cell_length_c   47.60699183
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   3864.89686101
_cell_formula_units_Z   72
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  0.549794  0.985435  0.316303  1
  H  H2  1  0.549794  0.615560  0.292493  1
  H  H3  1  0.549794  0.355309  0.340112  1
  H  H4  1  0.049794  0.946357  0.290840  1
  H  H5  1  0.049794  0.686105  0.338459  1
  H  H6  1  0.049794  0.316231  0.314650  1
  H  H7  1  0.950206  0.040246  0.352017  1
  H  H8  1  0.950206  0.670372  0.328207  1
  H  H9  1  0.950206  0.300498  0.304398  1
  H  H10  1  0.450206  0.001168  0.326555  1
  H  H11  1  0.450206  0.631294  0.302745  1
  H  H12  1  0.450206  0.371043  0.350364  1
  H  H13  1  0.049794  0.115560  0.292493  1
  H  H14  1  0.049794  0.855309  0.340112  1
  H  H15  1  0.049794  0.485435  0.316303  1
  H  H16  1  0.549794  0.186105  0.338459  1
  H  H17  1  0.549794  0.816231  0.314650  1
  H  H18  1  0.549794  0.446357  0.290840  1
  H  H19  1  0.450206  0.170372  0.328207  1
  H  H20  1  0.450206  0.800498  0.304398  1
  H  H21  1  0.450206  0.540246  0.352017  1
  H  H22  1  0.950206  0.131294  0.302745  1
  H  H23  1  0.950206  0.871043  0.350364  1
  H  H24  1  0.950206  0.501168  0.326555  1
  H  H25  1  0.549794  0.095057  0.387731  1
  H  H26  1  0.549794  0.725183  0.363922  1
  H  H27  1  0.549794  0.464931  0.411541  1
  H  H28  1  0.049794  0.055980  0.362269  1
  H  H29  1  0.049794  0.795728  0.409888  1
  H  H30  1  0.049794  0.425854  0.386078  1
  H  H31  1  0.950206  0.149868  0.423445  1
  H  H32  1  0.950206  0.779994  0.399636  1
  H  H33  1  0.950206  0.410120  0.375826  1
  H  H34  1  0.450206  0.110791  0.397983  1
  H  H35  1  0.450206  0.740917  0.374174  1
  H  H36  1  0.450206  0.480665  0.421793  1
  H  H37  1  0.049794  0.225183  0.363922  1
  H  H38  1  0.049794  0.964931  0.411541  1
  H  H39  1  0.049794  0.595057  0.387731  1
  H  H40  1  0.549794  0.295728  0.409888  1
  H  H41  1  0.549794  0.925854  0.386078  1
  H  H42  1  0.549794  0.555980  0.362269  1
  H  H43  1  0.450206  0.279994  0.399636  1
  H  H44  1  0.450206  0.910120  0.375826  1
  H  H45  1  0.450206  0.649868  0.423445  1
  H  H46  1  0.950206  0.240917  0.374174  1
  H  H47  1  0.950206  0.980665  0.421793  1
  H  H48  1  0.950206  0.610791  0.397983  1
  H  H49  1  0.549794  0.204680  0.459160  1
  H  H50  1  0.549794  0.834806  0.435350  1
  H  H51  1  0.549794  0.574554  0.482969  1
  H  H52  1  0.049794  0.165602  0.433697  1
  H  H53  1  0.049794  0.905351  0.481316  1
  H  H54  1  0.049794  0.535476  0.457507  1
  H  H55  1  0.950206  0.259491  0.494874  1
  H  H56  1  0.950206  0.889617  0.471065  1
  H  H57  1  0.950206  0.519743  0.447255  1
  H  H58  1  0.450206  0.220413  0.469412  1
  H  H59  1  0.450206  0.850539  0.445602  1
  H  H60  1  0.450206  0.590288  0.493221  1
  H  H61  1  0.049794  0.334806  0.435350  1
  H  H62  1  0.049794  0.074554  0.482969  1
  H  H63  1  0.049794  0.704680  0.459160  1
  H  H64  1  0.549794  0.405351  0.481316  1
  H  H65  1  0.549794  0.035476  0.457507  1
  H  H66  1  0.549794  0.665602  0.433697  1
  H  H67  1  0.450206  0.389617  0.471065  1
  H  H68  1  0.450206  0.019743  0.447255  1
  H  H69  1  0.450206  0.759491  0.494874  1
  H  H70  1  0.950206  0.350539  0.445602  1
  H  H71  1  0.950206  0.090288  0.493221  1
  H  H72  1  0.950206  0.720413  0.469412  1
  H  H73  1  0.549794  0.314302  0.530588  1
  H  H74  1  0.549794  0.944428  0.506779  1
  H  H75  1  0.549794  0.684176  0.554398  1
  H  H76  1  0.049794  0.275225  0.505126  1
  H  H77  1  0.049794  0.014973  0.552745  1
  H  H78  1  0.049794  0.645099  0.528935  1
  H  H79  1  0.950206  0.369114  0.566303  1
  H  H80  1  0.950206  0.999239  0.542493  1
  H  H81  1  0.950206  0.629365  0.518684  1
  H  H82  1  0.450206  0.330036  0.540840  1
  H  H83  1  0.450206  0.960162  0.517031  1
  H  H84  1  0.450206  0.699910  0.564650  1
  H  H85  1  0.049794  0.444428  0.506779  1
  H  H86  1  0.049794  0.184176  0.554398  1
  H  H87  1  0.049794  0.814302  0.530588  1
  H  H88  1  0.549794  0.514973  0.552745  1
  H  H89  1  0.549794  0.145099  0.528935  1
  H  H90  1  0.549794  0.775225  0.505126  1
  H  H91  1  0.450206  0.499239  0.542493  1
  H  H92  1  0.450206  0.129365  0.518684  1
  H  H93  1  0.450206  0.869114  0.566303  1
  H  H94  1  0.950206  0.460162  0.517031  1
  H  H95  1  0.950206  0.199910  0.564650  1
  H  H96  1  0.950206  0.830036  0.540840  1
  H  H97  1  0.549794  0.423925  0.602017  1
  H  H98  1  0.549794  0.054051  0.578207  1
  H  H99  1  0.549794  0.793799  0.625826  1
  H  H100  1  0.049794  0.384847  0.576555  1
  H  H101  1  0.049794  0.124596  0.624174  1
  H  H102  1  0.049794  0.754721  0.600364  1
  H  H103  1  0.950206  0.478736  0.637731  1
  H  H104  1  0.950206  0.108862  0.613922  1
  H  H105  1  0.950206  0.738988  0.590112  1
  H  H106  1  0.450206  0.439659  0.612269  1
  H  H107  1  0.450206  0.069784  0.588459  1
  H  H108  1  0.450206  0.809533  0.636078  1
  H  H109  1  0.049794  0.554051  0.578207  1
  H  H110  1  0.049794  0.293799  0.625826  1
  H  H111  1  0.049794  0.923925  0.602017  1
  H  H112  1  0.549794  0.624596  0.624174  1
  H  H113  1  0.549794  0.254721  0.600364  1
  H  H114  1  0.549794  0.884847  0.576555  1
  H  H115  1  0.450206  0.608862  0.613922  1
  H  H116  1  0.450206  0.238988  0.590112  1
  H  H117  1  0.450206  0.978736  0.637731  1
  H  H118  1  0.950206  0.569784  0.588459  1
  H  H119  1  0.950206  0.309533  0.636078  1
  H  H120  1  0.950206  0.939659  0.612269  1
  H  H121  1  0.549794  0.533547  0.673445  1
  H  H122  1  0.549794  0.163673  0.649636  1
  H  H123  1  0.549794  0.903422  0.697255  1
  H  H124  1  0.049794  0.494470  0.647983  1
  H  H125  1  0.049794  0.234218  0.695602  1
  H  H126  1  0.049794  0.864344  0.671793  1
  H  H127  1  0.950206  0.588359  0.709160  1
  H  H128  1  0.950206  0.218484  0.685350  1
  H  H129  1  0.950206  0.848610  0.661541  1
  H  H130  1  0.450206  0.549281  0.683697  1
  H  H131  1  0.450206  0.179407  0.659888  1
  H  H132  1  0.450206  0.919155  0.707507  1
  H  H133  1  0.049794  0.663673  0.649636  1
  H  H134  1  0.049794  0.403422  0.697255  1
  H  H135  1  0.049794  0.033547  0.673445  1
  H  H136  1  0.549794  0.734218  0.695602  1
  H  H137  1  0.549794  0.364344  0.671793  1
  H  H138  1  0.549794  0.994470  0.647983  1
  H  H139  1  0.450206  0.718484  0.685350  1
  H  H140  1  0.450206  0.348610  0.661541  1
  H  H141  1  0.450206  0.088359  0.709160  1
  H  H142  1  0.950206  0.679407  0.659888  1
  H  H143  1  0.950206  0.419155  0.707507  1
  H  H144  1  0.950206  0.049281  0.683697  1
