# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27702227
_cell_length_b   3.63984613
_cell_length_c   43.63438237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H18
_cell_volume   361.642227853
_cell_formula_units_Z   9
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  0.476875  0.640297  0.337904  1
  H  H2  1  0.018553  0.140297  0.312198  1
  H  H3  1  0.270427  0.640297  0.389326  1
  H  H4  1  0.883468  0.140297  0.363861  1
  H  H5  1  0.040169  0.640297  0.440657  1
  H  H6  1  0.666880  0.140297  0.414241  1
  H  H7  1  0.766002  0.640297  0.491981  1
  H  H8  1  0.446630  0.140297  0.464414  1
  H  H9  1  0.228724  0.640297  0.542421  1
  H  H10  1  0.218873  0.140297  0.513914  1
  H  H11  1  0.724787  0.640297  0.590998  1
  H  H12  1  0.724009  0.140297  0.561972  1
  H  H13  1  0.224585  0.640297  0.639068  1
  H  H14  1  0.224613  0.140297  0.610754  1
  H  H15  1  0.224590  0.640297  0.689219  1
  H  H16  1  0.724591  0.140297  0.662102  1
  H  H17  1  0.224589  0.640297  0.740494  1
  H  H18  1  0.724589  0.140297  0.714432  1
