# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42256060
_cell_length_b   3.42256060
_cell_length_c   49.56547958
_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   H20
_cell_volume   580.606115299
_cell_formula_units_Z   10
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  0.299127  1
  H  H2  1  0.500000  0.500000  0.367539  1
  H  H3  1  0.000000  0.000000  0.340794  1
  H  H4  1  0.000000  0.000000  0.325873  1
  H  H5  1  0.500000  0.500000  0.382461  1
  H  H6  1  0.500000  0.500000  0.450873  1
  H  H7  1  0.000000  0.000000  0.424127  1
  H  H8  1  0.000000  0.000000  0.409206  1
  H  H9  1  0.500000  0.500000  0.465794  1
  H  H10  1  0.500000  0.500000  0.534206  1
  H  H11  1  0.000000  0.000000  0.507461  1
  H  H12  1  0.000000  0.000000  0.492539  1
  H  H13  1  0.500000  0.500000  0.549127  1
  H  H14  1  0.500000  0.500000  0.617539  1
  H  H15  1  0.000000  0.000000  0.590794  1
  H  H16  1  0.000000  0.000000  0.575873  1
  H  H17  1  0.500000  0.500000  0.632461  1
  H  H18  1  0.500000  0.500000  0.700873  1
  H  H19  1  0.000000  0.000000  0.674127  1
  H  H20  1  0.000000  0.000000  0.659206  1
