# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83738196
_cell_length_b   3.97677894
_cell_length_c   47.19302977
_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   720.185444107
_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  0.752669  0.935299  0.264376  1
  H  H2  1  0.252669  0.763947  0.287460  1
  H  H3  1  0.752669  0.415689  0.289742  1
  H  H4  1  0.252669  0.254466  0.312543  1
  H  H5  1  0.752669  0.903641  0.315290  1
  H  H6  1  0.252669  0.742341  0.337880  1
  H  H7  1  0.752669  0.393884  0.339866  1
  H  H8  1  0.252669  0.231176  0.362624  1
  H  H9  1  0.752669  0.882998  0.364924  1
  H  H10  1  0.252669  0.720105  0.387755  1
  H  H11  1  0.752669  0.372012  0.389831  1
  H  H12  1  0.252669  0.209314  0.412732  1
  H  H13  1  0.752669  0.861032  0.414881  1
  H  H14  1  0.252669  0.698364  0.437780  1
  H  H15  1  0.752669  0.350131  0.439869  1
  H  H16  1  0.252669  0.187455  0.462782  1
  H  H17  1  0.752669  0.839207  0.464896  1
  H  H18  1  0.252669  0.676518  0.487807  1
  H  H19  1  0.752669  0.328297  0.489900  1
  H  H20  1  0.252669  0.165608  0.512811  1
  H  H21  1  0.752669  0.817360  0.514925  1
  H  H22  1  0.252669  0.654684  0.537838  1
  H  H23  1  0.752669  0.306451  0.539927  1
  H  H24  1  0.252669  0.143783  0.562827  1
  H  H25  1  0.752669  0.795501  0.564975  1
  H  H26  1  0.252669  0.632803  0.587876  1
  H  H27  1  0.752669  0.284709  0.589953  1
  H  H28  1  0.252669  0.121817  0.612784  1
  H  H29  1  0.752669  0.773638  0.615083  1
  H  H30  1  0.252669  0.610931  0.637842  1
  H  H31  1  0.752669  0.262473  0.639827  1
  H  H32  1  0.252669  0.101174  0.662417  1
  H  H33  1  0.752669  0.750348  0.665165  1
  H  H34  1  0.252669  0.589126  0.687966  1
  H  H35  1  0.752669  0.240868  0.690248  1
  H  H36  1  0.252669  0.069516  0.713331  1
