# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88749502
_cell_length_b   6.39216003
_cell_length_c   46.82512168
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   134.04213248
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H20
_cell_volume   1912.19151378
_cell_formula_units_Z   10
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  0.817392  0.301451  0.284091  1
  H  H2  1  0.656117  0.645567  0.306818  1
  H  H3  1  0.161508  0.989683  0.329545  1
  H  H4  1  0.000233  0.333799  0.352273  1
  H  H5  1  0.505624  0.677915  0.375000  1
  H  H6  1  0.344349  0.022032  0.397727  1
  H  H7  1  0.849740  0.366148  0.420455  1
  H  H8  1  0.688465  0.710264  0.443182  1
  H  H9  1  0.193857  0.054380  0.465909  1
  H  H10  1  0.032581  0.398496  0.488636  1
  H  H11  1  0.537973  0.742612  0.511364  1
  H  H12  1  0.376697  0.086728  0.534091  1
  H  H13  1  0.882089  0.430844  0.556818  1
  H  H14  1  0.720813  0.774960  0.579545  1
  H  H15  1  0.226205  0.119076  0.602273  1
  H  H16  1  0.064930  0.463192  0.625000  1
  H  H17  1  0.570321  0.807309  0.647727  1
  H  H18  1  0.409046  0.151425  0.670455  1
  H  H19  1  0.914437  0.495541  0.693182  1
  H  H20  1  0.753162  0.839657  0.715909  1
