# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26590182
_cell_length_b   7.53684512
_cell_length_c   43.11669339
_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   H36
_cell_volume   736.336158139
_cell_formula_units_Z   18
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  0.186183  0.317168  0.318455  1
  H  H2  1  0.686183  1.039902  0.330128  1
  H  H3  1  0.686183  0.593293  0.306553  1
  H  H4  1  0.686183  0.494787  0.356340  1
  H  H5  1  0.186183  0.221380  0.368179  1
  H  H6  1  0.186183  0.770029  0.343489  1
  H  H7  1  0.186183  0.675156  0.393032  1
  H  H8  1  0.686183  0.400499  0.405500  1
  H  H9  1  0.686183  0.949371  0.380600  1
  H  H10  1  0.686183  0.853767  0.430148  1
  H  H11  1  0.186183  0.579939  0.442624  1
  H  H12  1  0.186183  0.127215  0.417772  1
  H  H13  1  0.186183  1.032347  0.467421  1
  H  H14  1  0.686183  0.758773  0.479820  1
  H  H15  1  0.686183  0.305994  0.455055  1
  H  H16  1  0.686183  0.211205  0.504663  1
  H  H17  1  0.186183  0.937501  0.517065  1
  H  H18  1  0.186183  0.485024  0.492248  1
  H  H19  1  0.186183  0.390168  0.541869  1
  H  H20  1  0.686183  0.116349  0.554284  1
  H  H21  1  0.686183  0.663873  0.529467  1
  H  H22  1  0.686183  0.569026  0.579111  1
  H  H23  1  0.186183  0.295379  0.591477  1
  H  H24  1  0.186183  0.842600  0.566712  1
  H  H25  1  0.186183  0.747606  0.616384  1
  H  H26  1  0.686183  0.474158  0.628760  1
  H  H27  1  0.686183  1.021435  0.603908  1
  H  H28  1  0.686183  0.926217  0.653500  1
  H  H29  1  0.186183  0.652002  0.665932  1
  H  H30  1  0.186183  0.200875  0.641032  1
  H  H31  1  0.186183  0.106587  0.690192  1
  H  H32  1  0.686183  0.831344  0.703043  1
  H  H33  1  0.686183  0.379993  0.678353  1
  H  H34  1  0.686183  0.284206  0.728077  1
  H  H35  1  0.186183  1.008081  0.739979  1
  H  H36  1  0.186183  0.561472  0.716404  1
