# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.51137538
_cell_length_b   20.60110906
_cell_length_c   47.76582341
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.14308288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H132
_cell_volume   12560.3730763
_cell_formula_units_Z   66
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  0.713010  0.759354  0.313333  1
  H  H2  1  0.213010  0.759354  0.313333  1
  H  H3  1  0.133024  0.099382  0.300000  1
  H  H4  1  0.553038  0.439409  0.286667  1
  H  H5  1  0.633024  0.099382  0.300000  1
  H  H6  1  0.053038  0.439409  0.286667  1
  H  H7  1  0.466358  0.599382  0.300000  1
  H  H8  1  0.966358  0.599382  0.300000  1
  H  H9  1  0.886371  0.939409  0.286667  1
  H  H10  1  0.046344  0.259354  0.313333  1
  H  H11  1  0.386371  0.939409  0.286667  1
  H  H12  1  0.546344  0.259354  0.313333  1
  H  H13  1  0.452969  0.739272  0.353333  1
  H  H14  1  0.952969  0.739272  0.353333  1
  H  H15  1  0.872983  0.079299  0.340000  1
  H  H16  1  0.292997  0.419327  0.326667  1
  H  H17  1  0.372983  0.079299  0.340000  1
  H  H18  1  0.792997  0.419327  0.326667  1
  H  H19  1  0.206316  0.579299  0.340000  1
  H  H20  1  0.706316  0.579299  0.340000  1
  H  H21  1  0.626330  0.919327  0.326667  1
  H  H22  1  0.786303  0.239272  0.353333  1
  H  H23  1  0.126330  0.919327  0.326667  1
  H  H24  1  0.286303  0.239272  0.353333  1
  H  H25  1  0.192928  0.719189  0.393333  1
  H  H26  1  0.692928  0.719189  0.393333  1
  H  H27  1  0.612942  0.059217  0.380000  1
  H  H28  1  0.032955  0.399244  0.366667  1
  H  H29  1  0.112942  0.059217  0.380000  1
  H  H30  1  0.532955  0.399244  0.366667  1
  H  H31  1  0.946275  0.559217  0.380000  1
  H  H32  1  0.446275  0.559217  0.380000  1
  H  H33  1  0.366289  0.899244  0.366667  1
  H  H34  1  0.526261  0.219189  0.393333  1
  H  H35  1  0.866289  0.899244  0.366667  1
  H  H36  1  0.026261  0.219189  0.393333  1
  H  H37  1  0.932887  0.699107  0.433333  1
  H  H38  1  0.432887  0.699107  0.433333  1
  H  H39  1  0.352901  0.039134  0.420000  1
  H  H40  1  0.772914  0.379162  0.406667  1
  H  H41  1  0.852901  0.039134  0.420000  1
  H  H42  1  0.272914  0.379162  0.406667  1
  H  H43  1  0.686234  0.539134  0.420000  1
  H  H44  1  0.186234  0.539134  0.420000  1
  H  H45  1  0.106248  0.879162  0.406667  1
  H  H46  1  0.266220  0.199107  0.433333  1
  H  H47  1  0.606248  0.879162  0.406667  1
  H  H48  1  0.766220  0.199107  0.433333  1
  H  H49  1  0.672846  0.679024  0.473333  1
  H  H50  1  0.172846  0.679024  0.473333  1
  H  H51  1  0.092859  0.019052  0.460000  1
  H  H52  1  0.512873  0.359079  0.446667  1
  H  H53  1  0.592859  0.019052  0.460000  1
  H  H54  1  0.012873  0.359079  0.446667  1
  H  H55  1  0.426193  0.519052  0.460000  1
  H  H56  1  0.926193  0.519052  0.460000  1
  H  H57  1  0.846206  0.859079  0.446667  1
  H  H58  1  0.006179  0.179024  0.473333  1
  H  H59  1  0.346206  0.859079  0.446667  1
  H  H60  1  0.506179  0.179024  0.473333  1
  H  H61  1  0.412804  0.658942  0.513333  1
  H  H62  1  0.912804  0.658942  0.513333  1
  H  H63  1  0.832818  0.998970  0.500000  1
  H  H64  1  0.252832  0.338997  0.486667  1
  H  H65  1  0.332818  0.998970  0.500000  1
  H  H66  1  0.752832  0.338997  0.486667  1
  H  H67  1  0.166151  0.498970  0.500000  1
  H  H68  1  0.666151  0.498970  0.500000  1
  H  H69  1  0.586165  0.838997  0.486667  1
  H  H70  1  0.746138  0.158942  0.513333  1
  H  H71  1  0.086165  0.838997  0.486667  1
  H  H72  1  0.246138  0.158942  0.513333  1
  H  H73  1  0.152763  0.638860  0.553333  1
  H  H74  1  0.652763  0.638860  0.553333  1
  H  H75  1  0.572777  0.978887  0.540000  1
  H  H76  1  0.992791  0.318915  0.526667  1
  H  H77  1  0.072777  0.978887  0.540000  1
  H  H78  1  0.492791  0.318915  0.526667  1
  H  H79  1  0.906110  0.478887  0.540000  1
  H  H80  1  0.406110  0.478887  0.540000  1
  H  H81  1  0.326124  0.818915  0.526667  1
  H  H82  1  0.486096  0.138860  0.553333  1
  H  H83  1  0.826124  0.818915  0.526667  1
  H  H84  1  0.986096  0.138860  0.553333  1
  H  H85  1  0.892722  0.618777  0.593333  1
  H  H86  1  0.392722  0.618777  0.593333  1
  H  H87  1  0.312736  0.958805  0.580000  1
  H  H88  1  0.732749  0.298832  0.566667  1
  H  H89  1  0.812736  0.958805  0.580000  1
  H  H90  1  0.232749  0.298832  0.566667  1
  H  H91  1  0.646069  0.458805  0.580000  1
  H  H92  1  0.146069  0.458805  0.580000  1
  H  H93  1  0.066083  0.798832  0.566667  1
  H  H94  1  0.226055  0.118777  0.593333  1
  H  H95  1  0.566083  0.798832  0.566667  1
  H  H96  1  0.726055  0.118777  0.593333  1
  H  H97  1  0.632681  0.598695  0.633333  1
  H  H98  1  0.132681  0.598695  0.633333  1
  H  H99  1  0.052694  0.938722  0.620000  1
  H  H100  1  0.472708  0.278750  0.606667  1
  H  H101  1  0.552694  0.938722  0.620000  1
  H  H102  1  0.972708  0.278750  0.606667  1
  H  H103  1  0.386028  0.438722  0.620000  1
  H  H104  1  0.886028  0.438722  0.620000  1
  H  H105  1  0.806042  0.778750  0.606667  1
  H  H106  1  0.966014  0.098695  0.633333  1
  H  H107  1  0.306042  0.778750  0.606667  1
  H  H108  1  0.466014  0.098695  0.633333  1
  H  H109  1  0.372639  0.578612  0.673333  1
  H  H110  1  0.872639  0.578612  0.673333  1
  H  H111  1  0.792653  0.918640  0.660000  1
  H  H112  1  0.212667  0.258667  0.646667  1
  H  H113  1  0.292653  0.918640  0.660000  1
  H  H114  1  0.712667  0.258667  0.646667  1
  H  H115  1  0.125987  0.418640  0.660000  1
  H  H116  1  0.625987  0.418640  0.660000  1
  H  H117  1  0.546000  0.758667  0.646667  1
  H  H118  1  0.705973  0.078612  0.673333  1
  H  H119  1  0.046000  0.758667  0.646667  1
  H  H120  1  0.205973  0.078612  0.673333  1
  H  H121  1  0.112598  0.558530  0.713333  1
  H  H122  1  0.612598  0.558530  0.713333  1
  H  H123  1  0.532612  0.898557  0.700000  1
  H  H124  1  0.952626  0.238585  0.686667  1
  H  H125  1  0.032612  0.898557  0.700000  1
  H  H126  1  0.452626  0.238585  0.686667  1
  H  H127  1  0.865945  0.398557  0.700000  1
  H  H128  1  0.365945  0.398557  0.700000  1
  H  H129  1  0.285959  0.738585  0.686667  1
  H  H130  1  0.445932  0.058530  0.713333  1
  H  H131  1  0.785959  0.738585  0.686667  1
  H  H132  1  0.945932  0.058530  0.713333  1
