# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35569100
_cell_length_b   6.75568769
_cell_length_c   46.80477728
_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   H22
_cell_volume   2009.65969227
_cell_formula_units_Z   11
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  0.250000  0.083333  0.270833  1
  H  H2  1  0.750000  0.916667  0.312500  1
  H  H3  1  0.250000  0.583333  0.312500  1
  H  H4  1  0.750000  0.416667  0.354167  1
  H  H5  1  0.250000  0.083333  0.354167  1
  H  H6  1  0.750000  0.916667  0.395833  1
  H  H7  1  0.250000  0.583333  0.395833  1
  H  H8  1  0.750000  0.416667  0.437500  1
  H  H9  1  0.250000  0.083333  0.437500  1
  H  H10  1  0.750000  0.916667  0.479167  1
  H  H11  1  0.250000  0.583333  0.479167  1
  H  H12  1  0.750000  0.416667  0.520833  1
  H  H13  1  0.250000  0.083333  0.520833  1
  H  H14  1  0.750000  0.916667  0.562500  1
  H  H15  1  0.250000  0.583333  0.562500  1
  H  H16  1  0.750000  0.416667  0.604167  1
  H  H17  1  0.250000  0.083333  0.604167  1
  H  H18  1  0.750000  0.916667  0.645833  1
  H  H19  1  0.250000  0.583333  0.645833  1
  H  H20  1  0.750000  0.416667  0.687500  1
  H  H21  1  0.250000  0.083333  0.687500  1
  H  H22  1  0.750000  0.916667  0.729167  1
