# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53277575
_cell_length_b   7.62145476
_cell_length_c   46.23422502
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.02582753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H132
_cell_volume   2267.17551068
_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  0.614758  0.847619  0.296206  1
  H  H2  1  0.155934  0.841505  0.286206  1
  H  H3  1  0.489267  0.508172  0.286206  1
  H  H4  1  0.948091  0.514286  0.296206  1
  H  H5  1  0.281425  0.180952  0.296206  1
  H  H6  1  0.822600  0.174838  0.286206  1
  H  H7  1  0.540668  0.858620  0.314200  1
  H  H8  1  0.081844  0.852506  0.304200  1
  H  H9  1  0.415177  0.519173  0.304200  1
  H  H10  1  0.874002  0.525287  0.314200  1
  H  H11  1  0.207335  0.191954  0.314200  1
  H  H12  1  0.748510  0.185840  0.304200  1
  H  H13  1  0.453006  0.871637  0.335490  1
  H  H14  1  0.994182  0.865523  0.325490  1
  H  H15  1  0.327515  0.532189  0.325490  1
  H  H16  1  0.786340  0.538303  0.335490  1
  H  H17  1  0.119673  0.204970  0.335490  1
  H  H18  1  0.660848  0.198856  0.325490  1
  H  H19  1  0.372622  0.883572  0.355012  1
  H  H20  1  0.913797  0.877459  0.345012  1
  H  H21  1  0.247131  0.544125  0.345012  1
  H  H22  1  0.705955  0.550239  0.355012  1
  H  H23  1  0.039288  0.216906  0.355012  1
  H  H24  1  0.580464  0.210792  0.345012  1
  H  H25  1  0.289240  0.895953  0.375263  1
  H  H26  1  0.830415  0.889839  0.365263  1
  H  H27  1  0.163748  0.556506  0.365263  1
  H  H28  1  0.622573  0.562620  0.375263  1
  H  H29  1  0.955906  0.229287  0.375263  1
  H  H30  1  0.497082  0.223173  0.365263  1
  H  H31  1  0.207301  0.908120  0.395163  1
  H  H32  1  0.748477  0.902006  0.385163  1
  H  H33  1  0.081810  0.568673  0.385163  1
  H  H34  1  0.540635  0.574787  0.395163  1
  H  H35  1  0.873968  0.241453  0.395163  1
  H  H36  1  0.415143  0.235339  0.385163  1
  H  H37  1  0.124707  0.920384  0.415222  1
  H  H38  1  0.665882  0.914270  0.405222  1
  H  H39  1  0.999216  0.580937  0.405222  1
  H  H40  1  0.458040  0.587051  0.415222  1
  H  H41  1  0.791374  0.253717  0.415222  1
  H  H42  1  0.332549  0.247603  0.405222  1
  H  H43  1  0.042420  0.932602  0.435206  1
  H  H44  1  0.583595  0.926488  0.425206  1
  H  H45  1  0.916929  0.593155  0.425206  1
  H  H46  1  0.375753  0.599269  0.435206  1
  H  H47  1  0.709087  0.265936  0.435206  1
  H  H48  1  0.250262  0.259822  0.425206  1
  H  H49  1  0.959991  0.944842  0.455225  1
  H  H50  1  0.501166  0.938728  0.445225  1
  H  H51  1  0.834499  0.605394  0.445225  1
  H  H52  1  0.293324  0.611508  0.455225  1
  H  H53  1  0.626657  0.278175  0.455225  1
  H  H54  1  0.167833  0.272061  0.445225  1
  H  H55  1  0.877628  0.957071  0.475228  1
  H  H56  1  0.418804  0.950957  0.465228  1
  H  H57  1  0.752137  0.617624  0.465228  1
  H  H58  1  0.210962  0.623738  0.475228  1
  H  H59  1  0.544295  0.290404  0.475228  1
  H  H60  1  0.085471  0.284291  0.465228  1
  H  H61  1  0.795233  0.969306  0.495239  1
  H  H62  1  0.336408  0.963192  0.485239  1
  H  H63  1  0.669742  0.629858  0.485239  1
  H  H64  1  0.128566  0.635972  0.495239  1
  H  H65  1  0.461899  0.302639  0.495239  1
  H  H66  1  0.003075  0.296525  0.485239  1
  H  H67  1  0.712858  0.981537  0.515245  1
  H  H68  1  0.254033  0.975423  0.505245  1
  H  H69  1  0.587367  0.642090  0.505245  1
  H  H70  1  0.046191  0.648204  0.515245  1
  H  H71  1  0.379525  0.314870  0.515245  1
  H  H72  1  0.920700  0.308756  0.505245  1
  H  H73  1  0.630462  0.993771  0.535256  1
  H  H74  1  0.171638  0.987658  0.525256  1
  H  H75  1  0.504971  0.654324  0.525256  1
  H  H76  1  0.963795  0.660438  0.535256  1
  H  H77  1  0.297129  0.327105  0.535256  1
  H  H78  1  0.838304  0.320991  0.525256  1
  H  H79  1  0.548100  0.006001  0.555258  1
  H  H80  1  0.089276  0.999887  0.545258  1
  H  H81  1  0.422609  0.666554  0.545258  1
  H  H82  1  0.881433  0.672668  0.555258  1
  H  H83  1  0.214767  0.339334  0.555258  1
  H  H84  1  0.755942  0.333220  0.545258  1
  H  H85  1  0.465671  0.018240  0.575277  1
  H  H86  1  0.006846  0.012126  0.565277  1
  H  H87  1  0.340179  0.678793  0.565277  1
  H  H88  1  0.799004  0.684907  0.575277  1
  H  H89  1  0.132337  0.351574  0.575277  1
  H  H90  1  0.673513  0.345460  0.565277  1
  H  H91  1  0.383384  0.030459  0.595262  1
  H  H92  1  0.924559  0.024345  0.585262  1
  H  H93  1  0.257893  0.691011  0.585262  1
  H  H94  1  0.716717  0.697125  0.595262  1
  H  H95  1  0.050050  0.363792  0.595262  1
  H  H96  1  0.591226  0.357678  0.585262  1
  H  H97  1  0.300789  0.042723  0.615321  1
  H  H98  1  0.841965  0.036609  0.605321  1
  H  H99  1  0.175298  0.703275  0.605321  1
  H  H100  1  0.634123  0.709389  0.615321  1
  H  H101  1  0.967456  0.376056  0.615321  1
  H  H102  1  0.508631  0.369942  0.605321  1
  H  H103  1  0.218851  0.054889  0.635221  1
  H  H104  1  0.760027  0.048775  0.625221  1
  H  H105  1  0.093360  0.715442  0.625221  1
  H  H106  1  0.552184  0.721556  0.635221  1
  H  H107  1  0.885518  0.388223  0.635221  1
  H  H108  1  0.426693  0.382109  0.625221  1
  H  H109  1  0.135469  0.067270  0.655471  1
  H  H110  1  0.676644  0.061156  0.645471  1
  H  H111  1  0.009978  0.727823  0.645471  1
  H  H112  1  0.468802  0.733937  0.655471  1
  H  H113  1  0.802136  0.400603  0.655471  1
  H  H114  1  0.343311  0.394490  0.645471  1
  H  H115  1  0.055084  0.079206  0.674994  1
  H  H116  1  0.596260  0.073092  0.664994  1
  H  H117  1  0.929593  0.739759  0.664994  1
  H  H118  1  0.388418  0.745873  0.674994  1
  H  H119  1  0.721751  0.412539  0.674994  1
  H  H120  1  0.262927  0.406425  0.664994  1
  H  H121  1  0.967422  0.092222  0.696283  1
  H  H122  1  0.508598  0.086108  0.686283  1
  H  H123  1  0.841931  0.752775  0.686283  1
  H  H124  1  0.300756  0.758889  0.696283  1
  H  H125  1  0.634089  0.425556  0.696283  1
  H  H126  1  0.175264  0.419442  0.686283  1
  H  H127  1  0.893333  0.103224  0.714277  1
  H  H128  1  0.434508  0.097110  0.704277  1
  H  H129  1  0.767841  0.763776  0.704277  1
  H  H130  1  0.226666  0.769890  0.714277  1
  H  H131  1  0.559999  0.436557  0.714277  1
  H  H132  1  0.101175  0.430443  0.704277  1
