# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.09360113
_cell_length_b   5.66616942
_cell_length_c   48.52097454
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.59748315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H96
_cell_volume   3752.9524571
_cell_formula_units_Z   48
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  0.280738  0.192621  0.299684  1
  H  H2  1  0.600522  0.994777  0.318202  1
  H  H3  1  0.960954  0.390465  0.281165  1
  H  H4  1  0.112254  0.877461  0.302168  1
  H  H5  1  0.432038  0.679618  0.320686  1
  H  H6  1  0.792470  0.075305  0.283649  1
  H  H7  1  0.120846  0.791543  0.290425  1
  H  H8  1  0.440630  0.593699  0.308943  1
  H  H9  1  0.760414  0.395856  0.327462  1
  H  H10  1  0.272146  0.278539  0.311427  1
  H  H11  1  0.591930  0.080696  0.329946  1
  H  H12  1  0.952362  0.476383  0.292909  1
  H  H13  1  0.240091  0.599090  0.355240  1
  H  H14  1  0.559875  0.401247  0.373758  1
  H  H15  1  0.920307  0.796934  0.336721  1
  H  H16  1  0.071607  0.283930  0.357723  1
  H  H17  1  0.391391  0.086087  0.376242  1
  H  H18  1  0.751823  0.481774  0.339205  1
  H  H19  1  0.080199  0.198012  0.345980  1
  H  H20  1  0.399983  0.000168  0.364499  1
  H  H21  1  0.719768  0.802325  0.383017  1
  H  H22  1  0.231499  0.685008  0.366983  1
  H  H23  1  0.551284  0.487165  0.385501  1
  H  H24  1  0.911715  0.882852  0.348464  1
  H  H25  1  0.199444  0.005559  0.410795  1
  H  H26  1  0.519228  0.807716  0.429314  1
  H  H27  1  0.879660  0.203403  0.392277  1
  H  H28  1  0.030960  0.690399  0.413279  1
  H  H29  1  0.350744  0.492556  0.431798  1
  H  H30  1  0.711176  0.888243  0.394760  1
  H  H31  1  0.039552  0.604481  0.401536  1
  H  H32  1  0.359336  0.406637  0.420054  1
  H  H33  1  0.679121  0.208794  0.438573  1
  H  H34  1  0.190852  0.091478  0.422538  1
  H  H35  1  0.510637  0.893634  0.441057  1
  H  H36  1  0.871068  0.289321  0.404020  1
  H  H37  1  0.158797  0.412028  0.466351  1
  H  H38  1  0.478582  0.214185  0.484869  1
  H  H39  1  0.839013  0.609872  0.447832  1
  H  H40  1  0.990313  0.096868  0.468835  1
  H  H41  1  0.310098  0.899025  0.487353  1
  H  H42  1  0.670529  0.294712  0.450316  1
  H  H43  1  0.998905  0.010950  0.457091  1
  H  H44  1  0.318689  0.813107  0.475610  1
  H  H45  1  0.638474  0.615263  0.494128  1
  H  H46  1  0.150205  0.497947  0.478094  1
  H  H47  1  0.469990  0.300103  0.496612  1
  H  H48  1  0.830421  0.695790  0.459575  1
  H  H49  1  0.118150  0.818498  0.521906  1
  H  H50  1  0.437935  0.620654  0.540425  1
  H  H51  1  0.798366  0.016341  0.503388  1
  H  H52  1  0.949666  0.503338  0.524390  1
  H  H53  1  0.269451  0.305494  0.542909  1
  H  H54  1  0.629882  0.701181  0.505872  1
  H  H55  1  0.958258  0.417419  0.512647  1
  H  H56  1  0.278042  0.219576  0.531165  1
  H  H57  1  0.597827  0.021732  0.549684  1
  H  H58  1  0.109558  0.904416  0.533649  1
  H  H59  1  0.429343  0.706572  0.552168  1
  H  H60  1  0.789774  0.102259  0.515131  1
  H  H61  1  0.077503  0.224967  0.577462  1
  H  H62  1  0.397288  0.027123  0.595980  1
  H  H63  1  0.757719  0.422810  0.558943  1
  H  H64  1  0.909019  0.909807  0.579946  1
  H  H65  1  0.228804  0.711963  0.598464  1
  H  H66  1  0.589235  0.107650  0.561427  1
  H  H67  1  0.917611  0.823888  0.568202  1
  H  H68  1  0.237396  0.626045  0.586721  1
  H  H69  1  0.557180  0.428201  0.605240  1
  H  H70  1  0.068912  0.310885  0.589205  1
  H  H71  1  0.388696  0.113041  0.607723  1
  H  H72  1  0.749127  0.508729  0.570686  1
  H  H73  1  0.036856  0.631436  0.633017  1
  H  H74  1  0.356641  0.433592  0.651536  1
  H  H75  1  0.717072  0.829279  0.614499  1
  H  H76  1  0.868372  0.316276  0.635501  1
  H  H77  1  0.188157  0.118432  0.654020  1
  H  H78  1  0.548588  0.514119  0.616983  1
  H  H79  1  0.876964  0.230358  0.623758  1
  H  H80  1  0.196749  0.032514  0.642277  1
  H  H81  1  0.516533  0.834670  0.660795  1
  H  H82  1  0.028265  0.717354  0.644760  1
  H  H83  1  0.348049  0.519510  0.663279  1
  H  H84  1  0.708480  0.915198  0.626242  1
  H  H85  1  0.996210  0.037905  0.688573  1
  H  H86  1  0.315994  0.840061  0.707091  1
  H  H87  1  0.676425  0.235748  0.670054  1
  H  H88  1  0.827726  0.722745  0.691057  1
  H  H89  1  0.147510  0.524901  0.709575  1
  H  H90  1  0.507941  0.920589  0.672538  1
  H  H91  1  0.836317  0.636827  0.679314  1
  H  H92  1  0.156102  0.438983  0.697832  1
  H  H93  1  0.475886  0.241139  0.716351  1
  H  H94  1  0.987618  0.123823  0.700316  1
  H  H95  1  0.307402  0.925980  0.718835  1
  H  H96  1  0.667833  0.321667  0.681798  1
