# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96651796
_cell_length_b   4.47178164
_cell_length_c   46.71142551
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.38888973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H38
_cell_volume   742.203853466
_cell_formula_units_Z   19
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  0.596444  0.328397  0.274092  1
  H  H2  1  0.424211  0.759681  0.285253  1
  H  H3  1  0.028587  0.198805  0.298513  1
  H  H4  1  0.900169  0.667200  0.311792  1
  H  H5  1  0.486414  0.122609  0.323597  1
  H  H6  1  0.361064  0.578674  0.334950  1
  H  H7  1  0.940774  0.038949  0.347630  1
  H  H8  1  0.826088  0.497714  0.359426  1
  H  H9  1  0.398513  0.955011  0.371404  1
  H  H10  1  0.289376  0.416304  0.383041  1
  H  H11  1  0.857929  0.875381  0.395267  1
  H  H12  1  0.750195  0.334639  0.406944  1
  H  H13  1  0.316701  0.793270  0.418942  1
  H  H14  1  0.210848  0.253346  0.430682  1
  H  H15  1  0.776217  0.712090  0.442714  1
  H  H16  1  0.670445  0.171507  0.454451  1
  H  H17  1  0.235468  0.630395  0.466424  1
  H  H18  1  0.130082  0.089994  0.478203  1
  H  H19  1  0.694910  0.548841  0.490171  1
  H  H20  1  0.589456  0.008302  0.501940  1
  H  H21  1  0.154284  0.467150  0.513907  1
  H  H22  1  0.048898  0.926749  0.525687  1
  H  H23  1  0.613921  0.385636  0.537659  1
  H  H24  1  0.508149  0.845054  0.549396  1
  H  H25  1  0.073518  0.303798  0.561428  1
  H  H26  1  0.967665  0.763874  0.573168  1
  H  H27  1  0.534171  0.222505  0.585166  1
  H  H28  1  0.426437  0.681763  0.596843  1
  H  H29  1  0.994991  0.140840  0.609069  1
  H  H30  1  0.885853  0.602133  0.620706  1
  H  H31  1  0.458279  0.059430  0.632684  1
  H  H32  1  0.343592  0.518194  0.644480  1
  H  H33  1  0.923302  0.978470  0.657160  1
  H  H34  1  0.797953  0.434535  0.668513  1
  H  H35  1  0.384197  0.889944  0.680318  1
  H  H36  1  0.255780  0.358339  0.693597  1
  H  H37  1  0.860155  0.797463  0.706857  1
  H  H38  1  0.687922  0.228746  0.718018  1
