# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89830689
_cell_length_b   11.32126523
_cell_length_c   46.63590828
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.08662560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H60
_cell_volume   2027.48736011
_cell_formula_units_Z   30
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  0.935191  0.129358  0.297596  1
  H  H2  1  0.572639  0.854462  0.327899  1
  H  H3  1  0.210087  0.579566  0.358202  1
  H  H4  1  0.437179  0.125382  0.353151  1
  H  H5  1  0.162283  0.675174  0.292545  1
  H  H6  1  0.799731  0.400278  0.322848  1
  H  H7  1  0.451065  0.097610  0.338750  1
  H  H8  1  0.176169  0.647402  0.278144  1
  H  H9  1  0.813617  0.372506  0.308447  1
  H  H10  1  0.949077  0.101586  0.283194  1
  H  H11  1  0.586525  0.826690  0.313498  1
  H  H12  1  0.223973  0.551794  0.343801  1
  H  H13  1  0.847535  0.304670  0.388505  1
  H  H14  1  0.484983  0.029774  0.418808  1
  H  H15  1  0.122431  0.754877  0.449111  1
  H  H16  1  0.349523  0.300693  0.444061  1
  H  H17  1  0.074627  0.850486  0.383454  1
  H  H18  1  0.712075  0.575590  0.413757  1
  H  H19  1  0.363409  0.272921  0.429659  1
  H  H20  1  0.088513  0.822714  0.369053  1
  H  H21  1  0.725961  0.547818  0.399356  1
  H  H22  1  0.861421  0.276898  0.374104  1
  H  H23  1  0.498869  0.002002  0.404407  1
  H  H24  1  0.136317  0.727105  0.434710  1
  H  H25  1  0.759880  0.479981  0.479414  1
  H  H26  1  0.397328  0.205085  0.509717  1
  H  H27  1  0.034776  0.930189  0.540020  1
  H  H28  1  0.261868  0.476005  0.534970  1
  H  H29  1  0.986971  0.025797  0.474364  1
  H  H30  1  0.624420  0.750901  0.504667  1
  H  H31  1  0.275754  0.448233  0.520568  1
  H  H32  1  0.000857  0.998025  0.459962  1
  H  H33  1  0.638306  0.723129  0.490265  1
  H  H34  1  0.773765  0.452209  0.465013  1
  H  H35  1  0.411214  0.177313  0.495316  1
  H  H36  1  0.048662  0.902417  0.525619  1
  H  H37  1  0.672224  0.655292  0.570323  1
  H  H38  1  0.309672  0.380396  0.600626  1
  H  H39  1  0.947120  0.105500  0.630929  1
  H  H40  1  0.174212  0.651316  0.625879  1
  H  H41  1  0.899316  0.201109  0.565273  1
  H  H42  1  0.536764  0.926212  0.595576  1
  H  H43  1  0.188098  0.623544  0.611477  1
  H  H44  1  0.913202  0.173337  0.550871  1
  H  H45  1  0.550650  0.898440  0.581174  1
  H  H46  1  0.686110  0.627521  0.555922  1
  H  H47  1  0.323558  0.352624  0.586225  1
  H  H48  1  0.961006  0.077728  0.616528  1
  H  H49  1  0.584568  0.830604  0.661232  1
  H  H50  1  0.222016  0.555707  0.691535  1
  H  H51  1  0.859464  0.280812  0.721838  1
  H  H52  1  0.086556  0.826628  0.716788  1
  H  H53  1  0.811660  0.376420  0.656182  1
  H  H54  1  0.449108  0.101523  0.686485  1
  H  H55  1  0.100442  0.798856  0.702386  1
  H  H56  1  0.825546  0.348648  0.641780  1
  H  H57  1  0.462994  0.073752  0.672083  1
  H  H58  1  0.598454  0.802832  0.646831  1
  H  H59  1  0.235902  0.527936  0.677134  1
  H  H60  1  0.873350  0.253040  0.707437  1
