# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42855200
_cell_length_b   5.42855200
_cell_length_c   48.85696800
_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   H16
_cell_volume   1439.7746284
_cell_formula_units_Z   8
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  0.500000  0.500000  0.361111  1
  H  H2  1  0.000000  0.000000  0.361111  1
  H  H3  1  0.500000  0.000000  0.305556  1
  H  H4  1  0.000000  0.500000  0.305556  1
  H  H5  1  0.500000  0.500000  0.472222  1
  H  H6  1  0.000000  0.000000  0.472222  1
  H  H7  1  0.500000  0.000000  0.416667  1
  H  H8  1  0.000000  0.500000  0.416667  1
  H  H9  1  0.500000  0.500000  0.583333  1
  H  H10  1  0.000000  0.000000  0.583333  1
  H  H11  1  0.500000  0.000000  0.527778  1
  H  H12  1  0.000000  0.500000  0.527778  1
  H  H13  1  0.500000  0.500000  0.694444  1
  H  H14  1  0.000000  0.000000  0.694444  1
  H  H15  1  0.500000  0.000000  0.638889  1
  H  H16  1  0.000000  0.500000  0.638889  1
