# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26575970
_cell_length_b   2.26575970
_cell_length_c   48.88416984
_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   H12
_cell_volume   250.955050636
_cell_formula_units_Z   6
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  0.979367  0.612616  0.317059  1
  H  H2  1  0.479367  0.112616  0.280880  1
  H  H3  1  0.979367  0.612616  0.388262  1
  H  H4  1  0.479367  0.112616  0.352573  1
  H  H5  1  0.979367  0.612616  0.459695  1
  H  H6  1  0.479367  0.112616  0.423979  1
  H  H7  1  0.979367  0.612616  0.531126  1
  H  H8  1  0.479367  0.112616  0.495410  1
  H  H9  1  0.979367  0.612616  0.602532  1
  H  H10  1  0.479367  0.112616  0.566843  1
  H  H11  1  0.979367  0.612616  0.674225  1
  H  H12  1  0.479367  0.112616  0.638046  1
