# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   1.06615731
_cell_length_b   7.51619780
_cell_length_c   47.18351126
_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   378.102671923
_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  0.000000  0.707148  0.310000  1
  H  H2  1  0.000000  0.064751  0.290000  1
  H  H3  1  0.000000  0.991941  0.350000  1
  H  H4  1  0.000000  0.349545  0.330000  1
  H  H5  1  0.000000  0.276734  0.390000  1
  H  H6  1  0.000000  0.634338  0.370000  1
  H  H7  1  0.000000  0.561528  0.430000  1
  H  H8  1  0.000000  0.919131  0.410000  1
  H  H9  1  0.000000  0.846321  0.470000  1
  H  H10  1  0.000000  0.203924  0.450000  1
  H  H11  1  0.000000  0.131114  0.510000  1
  H  H12  1  0.000000  0.488718  0.490000  1
  H  H13  1  0.000000  0.415908  0.550000  1
  H  H14  1  0.000000  0.773511  0.530000  1
  H  H15  1  0.000000  0.700701  0.590000  1
  H  H16  1  0.000000  0.058304  0.570000  1
  H  H17  1  0.000000  0.985494  0.630000  1
  H  H18  1  0.000000  0.343098  0.610000  1
  H  H19  1  0.000000  0.270287  0.670000  1
  H  H20  1  0.000000  0.627891  0.650000  1
  H  H21  1  0.000000  0.555081  0.710000  1
  H  H22  1  0.000000  0.912684  0.690000  1
