# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27506813
_cell_length_b   3.44843725
_cell_length_c   45.51211085
_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   357.062065671
_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  0.517759  0.672167  0.318726  1
  H  H2  1  0.017759  0.172167  0.293258  1
  H  H3  1  0.517759  0.672167  0.368648  1
  H  H4  1  0.017759  0.172167  0.343925  1
  H  H5  1  0.517759  0.672167  0.418573  1
  H  H6  1  0.017759  0.172167  0.393610  1
  H  H7  1  0.517759  0.672167  0.468518  1
  H  H8  1  0.017759  0.172167  0.443558  1
  H  H9  1  0.517759  0.672167  0.518456  1
  H  H10  1  0.017759  0.172167  0.493491  1
  H  H11  1  0.517759  0.672167  0.568389  1
  H  H12  1  0.017759  0.172167  0.543429  1
  H  H13  1  0.517759  0.672167  0.618337  1
  H  H14  1  0.017759  0.172167  0.593374  1
  H  H15  1  0.517759  0.672167  0.668023  1
  H  H16  1  0.017759  0.172167  0.643299  1
  H  H17  1  0.517759  0.672167  0.718689  1
  H  H18  1  0.017759  0.172167  0.693222  1
