# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08284175
_cell_length_b   8.73271416
_cell_length_c   46.17789149
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.48162743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H138
_cell_volume   2312.5210965
_cell_formula_units_Z   69
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  0.705116  0.924537  0.285499  1
  H  H2  1  0.205116  0.924537  0.285499  1
  H  H3  1  0.884119  0.574199  0.292035  1
  H  H4  1  0.026114  0.274875  0.278963  1
  H  H5  1  0.384119  0.574199  0.292035  1
  H  H6  1  0.526114  0.274875  0.278963  1
  H  H7  1  0.738410  0.878642  0.303139  1
  H  H8  1  0.238410  0.878642  0.303139  1
  H  H9  1  0.917412  0.528304  0.309675  1
  H  H10  1  0.059407  0.228980  0.296603  1
  H  H11  1  0.417412  0.528304  0.309675  1
  H  H12  1  0.559407  0.228980  0.296603  1
  H  H13  1  0.777802  0.824340  0.324011  1
  H  H14  1  0.277802  0.824340  0.324011  1
  H  H15  1  0.956804  0.474002  0.330547  1
  H  H16  1  0.098799  0.174678  0.317475  1
  H  H17  1  0.456804  0.474002  0.330547  1
  H  H18  1  0.598799  0.174678  0.317475  1
  H  H19  1  0.813924  0.774546  0.343150  1
  H  H20  1  0.313924  0.774546  0.343150  1
  H  H21  1  0.992926  0.424208  0.349686  1
  H  H22  1  0.134921  0.124884  0.336614  1
  H  H23  1  0.492926  0.424208  0.349686  1
  H  H24  1  0.634921  0.124884  0.336614  1
  H  H25  1  0.851393  0.722895  0.363003  1
  H  H26  1  0.351393  0.722895  0.363003  1
  H  H27  1  0.030395  0.372557  0.369539  1
  H  H28  1  0.172390  0.073233  0.356467  1
  H  H29  1  0.530395  0.372557  0.369539  1
  H  H30  1  0.672390  0.073233  0.356467  1
  H  H31  1  0.888213  0.672138  0.382512  1
  H  H32  1  0.388213  0.672138  0.382512  1
  H  H33  1  0.067215  0.321800  0.389048  1
  H  H34  1  0.209210  0.022476  0.375976  1
  H  H35  1  0.567215  0.321800  0.389048  1
  H  H36  1  0.709210  0.022476  0.375976  1
  H  H37  1  0.925328  0.620975  0.402177  1
  H  H38  1  0.425328  0.620975  0.402177  1
  H  H39  1  0.104330  0.270637  0.408713  1
  H  H40  1  0.246325  0.971313  0.395641  1
  H  H41  1  0.604330  0.270637  0.408713  1
  H  H42  1  0.746325  0.971313  0.395641  1
  H  H43  1  0.962305  0.570002  0.421769  1
  H  H44  1  0.462305  0.570002  0.421769  1
  H  H45  1  0.141307  0.219664  0.428305  1
  H  H46  1  0.283302  0.920340  0.415233  1
  H  H47  1  0.641307  0.219664  0.428305  1
  H  H48  1  0.783302  0.920340  0.415233  1
  H  H49  1  0.999345  0.518942  0.441394  1
  H  H50  1  0.499345  0.518942  0.441394  1
  H  H51  1  0.178347  0.168604  0.447930  1
  H  H52  1  0.320343  0.869280  0.434858  1
  H  H53  1  0.678347  0.168604  0.447930  1
  H  H54  1  0.820343  0.869280  0.434858  1
  H  H55  1  0.036356  0.467922  0.461004  1
  H  H56  1  0.536356  0.467922  0.461004  1
  H  H57  1  0.215359  0.117584  0.467540  1
  H  H58  1  0.357354  0.818260  0.454468  1
  H  H59  1  0.715359  0.117584  0.467540  1
  H  H60  1  0.857354  0.818260  0.454468  1
  H  H61  1  0.073381  0.416884  0.480621  1
  H  H62  1  0.573381  0.416884  0.480621  1
  H  H63  1  0.252383  0.066546  0.487157  1
  H  H64  1  0.394378  0.767222  0.474086  1
  H  H65  1  0.752383  0.066546  0.487157  1
  H  H66  1  0.894378  0.767222  0.474086  1
  H  H67  1  0.110400  0.365853  0.500236  1
  H  H68  1  0.610400  0.365853  0.500236  1
  H  H69  1  0.289402  0.015514  0.506772  1
  H  H70  1  0.431398  0.716191  0.493700  1
  H  H71  1  0.789402  0.015514  0.506772  1
  H  H72  1  0.931398  0.716191  0.493700  1
  H  H73  1  0.147419  0.314821  0.519850  1
  H  H74  1  0.647419  0.314821  0.519850  1
  H  H75  1  0.326421  0.964483  0.526386  1
  H  H76  1  0.468417  0.665159  0.513314  1
  H  H77  1  0.826421  0.964483  0.526386  1
  H  H78  1  0.968417  0.665159  0.513314  1
  H  H79  1  0.184443  0.263783  0.539467  1
  H  H80  1  0.684443  0.263783  0.539467  1
  H  H81  1  0.363446  0.913445  0.546003  1
  H  H82  1  0.505441  0.614121  0.532931  1
  H  H83  1  0.863446  0.913445  0.546003  1
  H  H84  1  0.005441  0.614121  0.532931  1
  H  H85  1  0.221455  0.212763  0.559078  1
  H  H86  1  0.721455  0.212763  0.559078  1
  H  H87  1  0.400457  0.862425  0.565613  1
  H  H88  1  0.542452  0.563101  0.552542  1
  H  H89  1  0.900457  0.862425  0.565613  1
  H  H90  1  0.042452  0.563101  0.552542  1
  H  H91  1  0.258495  0.161703  0.578703  1
  H  H92  1  0.758495  0.161703  0.578703  1
  H  H93  1  0.437498  0.811365  0.585239  1
  H  H94  1  0.579493  0.512041  0.572167  1
  H  H95  1  0.937498  0.811365  0.585239  1
  H  H96  1  0.079493  0.512041  0.572167  1
  H  H97  1  0.295472  0.110730  0.598295  1
  H  H98  1  0.795472  0.110730  0.598295  1
  H  H99  1  0.474474  0.760392  0.604831  1
  H  H100  1  0.616470  0.461068  0.591759  1
  H  H101  1  0.974474  0.760392  0.604831  1
  H  H102  1  0.116470  0.461068  0.591759  1
  H  H103  1  0.332587  0.059567  0.617960  1
  H  H104  1  0.832587  0.059567  0.617960  1
  H  H105  1  0.511589  0.709229  0.624496  1
  H  H106  1  0.653585  0.409905  0.611424  1
  H  H107  1  0.011589  0.709229  0.624496  1
  H  H108  1  0.153585  0.409905  0.611424  1
  H  H109  1  0.369407  0.008810  0.637469  1
  H  H110  1  0.869407  0.008810  0.637469  1
  H  H111  1  0.548409  0.658472  0.644005  1
  H  H112  1  0.690405  0.359148  0.630933  1
  H  H113  1  0.048409  0.658472  0.644005  1
  H  H114  1  0.190405  0.359148  0.630933  1
  H  H115  1  0.406876  0.957159  0.657322  1
  H  H116  1  0.906876  0.957159  0.657322  1
  H  H117  1  0.585878  0.606821  0.663858  1
  H  H118  1  0.727874  0.307497  0.650786  1
  H  H119  1  0.085878  0.606821  0.663858  1
  H  H120  1  0.227874  0.307497  0.650786  1
  H  H121  1  0.442998  0.907365  0.676461  1
  H  H122  1  0.942998  0.907365  0.676461  1
  H  H123  1  0.622000  0.557027  0.682997  1
  H  H124  1  0.763996  0.257703  0.669925  1
  H  H125  1  0.122000  0.557027  0.682997  1
  H  H126  1  0.263996  0.257703  0.669925  1
  H  H127  1  0.482390  0.853063  0.697332  1
  H  H128  1  0.982390  0.853063  0.697332  1
  H  H129  1  0.661392  0.502725  0.703868  1
  H  H130  1  0.803388  0.203401  0.690796  1
  H  H131  1  0.161392  0.502725  0.703868  1
  H  H132  1  0.303388  0.203401  0.690796  1
  H  H133  1  0.515683  0.807168  0.714973  1
  H  H134  1  0.015683  0.807168  0.714973  1
  H  H135  1  0.694686  0.456830  0.721509  1
  H  H136  1  0.836681  0.157506  0.708437  1
  H  H137  1  0.194686  0.456830  0.721509  1
  H  H138  1  0.336681  0.157506  0.708437  1
