# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27144606
_cell_length_b   4.14445472
_cell_length_c   47.56837933
_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   447.804220812
_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  0.611082  0.248047  0.278126  1
  H  H2  1  1.111082  0.748047  0.278126  1
  H  H3  1  0.611082  0.949914  0.318488  1
  H  H4  1  1.111082  0.449914  0.318488  1
  H  H5  1  0.611082  0.651601  0.358321  1
  H  H6  1  1.111082  0.151601  0.358321  1
  H  H7  1  0.611082  0.353075  0.398316  1
  H  H8  1  1.111082  0.853075  0.398316  1
  H  H9  1  0.611082  0.054850  0.438312  1
  H  H10  1  1.111082  0.554850  0.438312  1
  H  H11  1  0.611082  0.756593  0.478308  1
  H  H12  1  1.111082  0.256593  0.478308  1
  H  H13  1  0.611082  0.458335  0.518304  1
  H  H14  1  1.111082  0.958335  0.518304  1
  H  H15  1  0.611082  0.160110  0.558301  1
  H  H16  1  1.111082  0.660110  0.558301  1
  H  H17  1  0.611082  0.861584  0.598296  1
  H  H18  1  1.111082  0.361584  0.598296  1
  H  H19  1  0.611082  0.563271  0.638129  1
  H  H20  1  1.111082  0.063271  0.638129  1
  H  H21  1  0.611082  0.265138  0.678490  1
  H  H22  1  1.111082  0.765138  0.678490  1
