# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89733524
_cell_length_b   3.89733524
_cell_length_c   51.35344268
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H20
_cell_volume   675.516131267
_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  0.333325  0.666661  0.348108  1
  H  H2  1  0.666659  0.333328  0.302653  1
  H  H3  1  0.666659  0.333328  0.288251  1
  H  H4  1  0.333325  0.666661  0.333706  1
  H  H5  1  0.333325  0.666661  0.439017  1
  H  H6  1  0.666659  0.333328  0.393563  1
  H  H7  1  0.666659  0.333328  0.379161  1
  H  H8  1  0.333325  0.666661  0.424615  1
  H  H9  1  0.333325  0.666661  0.529926  1
  H  H10  1  0.666659  0.333328  0.484472  1
  H  H11  1  0.666659  0.333328  0.470070  1
  H  H12  1  0.333325  0.666661  0.515524  1
  H  H13  1  0.333325  0.666661  0.620835  1
  H  H14  1  0.666659  0.333328  0.575381  1
  H  H15  1  0.666659  0.333328  0.560979  1
  H  H16  1  0.333325  0.666661  0.606433  1
  H  H17  1  0.333325  0.666661  0.711744  1
  H  H18  1  0.666659  0.333328  0.666290  1
  H  H19  1  0.666659  0.333328  0.651888  1
  H  H20  1  0.333325  0.666661  0.697342  1
