# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27920673
_cell_length_b   3.44666376
_cell_length_c   45.63998462
_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   358.532165904
_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  0.350304  0.360498  0.296965  1
  H  H2  1  0.850304  0.860498  0.322347  1
  H  H3  1  0.350304  0.360498  0.347465  1
  H  H4  1  0.850304  0.860498  0.372103  1
  H  H5  1  0.350304  0.360498  0.396982  1
  H  H6  1  0.850304  0.860498  0.421861  1
  H  H7  1  0.350304  0.360498  0.446762  1
  H  H8  1  0.850304  0.860498  0.471639  1
  H  H9  1  0.350304  0.360498  0.496528  1
  H  H10  1  0.850304  0.860498  0.521409  1
  H  H11  1  0.350304  0.360498  0.546299  1
  H  H12  1  0.850304  0.860498  0.571175  1
  H  H13  1  0.350304  0.360498  0.596077  1
  H  H14  1  0.850304  0.860498  0.620956  1
  H  H15  1  0.350304  0.360498  0.645835  1
  H  H16  1  0.850304  0.860498  0.670473  1
  H  H17  1  0.350304  0.360498  0.695591  1
  H  H18  1  0.850304  0.860498  0.720973  1
