# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27451040
_cell_length_b   3.44968846
_cell_length_c   45.47316813
_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   356.798496896
_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  0.684532  0.139473  0.290882  1
  H  H2  1  0.184532  0.639473  0.316367  1
  H  H3  1  0.684532  0.139473  0.341588  1
  H  H4  1  0.184532  0.639473  0.366332  1
  H  H5  1  0.684532  0.139473  0.391316  1
  H  H6  1  0.184532  0.639473  0.416300  1
  H  H7  1  0.684532  0.139473  0.441306  1
  H  H8  1  0.184532  0.639473  0.466288  1
  H  H9  1  0.684532  0.139473  0.491282  1
  H  H10  1  0.184532  0.639473  0.516269  1
  H  H11  1  0.684532  0.139473  0.541263  1
  H  H12  1  0.184532  0.639473  0.566245  1
  H  H13  1  0.684532  0.139473  0.591251  1
  H  H14  1  0.184532  0.639473  0.616235  1
  H  H15  1  0.684532  0.139473  0.641219  1
  H  H16  1  0.184532  0.639473  0.665963  1
  H  H17  1  0.684532  0.139473  0.691184  1
  H  H18  1  0.184532  0.639473  0.716669  1
