# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.21727878
_cell_length_b   2.21727878
_cell_length_c   53.78729683
_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   H12
_cell_volume   264.435842174
_cell_formula_units_Z   6
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  0.498834  0.498834  0.376540  1
  H  H2  1  0.498834  0.498834  0.337411  1
  H  H3  1  0.998834  0.998834  0.304255  1
  H  H4  1  0.998834  0.998834  0.408663  1
  H  H5  1  0.498834  0.498834  0.519091  1
  H  H6  1  0.498834  0.498834  0.479952  1
  H  H7  1  -0.001166  0.998834  0.447799  1
  H  H8  1  0.998834  0.998834  0.551244  1
  H  H9  1  0.498834  0.498834  0.661632  1
  H  H10  1  0.498834  0.498834  0.622503  1
  H  H11  1  -0.001166  -0.001166  0.590380  1
  H  H12  1  0.998834  0.998834  0.694788  1
