# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90039811
_cell_length_b   9.27545817
_cell_length_c   50.92014749
_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   H20
_cell_volume   1842.18805123
_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  0.000000  0.937529  0.310606  1
  H  H2  1  0.500000  0.672290  0.356061  1
  H  H3  1  0.500000  0.614356  0.280303  1
  H  H4  1  0.000000  0.349116  0.325758  1
  H  H5  1  0.000000  0.407050  0.401515  1
  H  H6  1  0.500000  0.141810  0.446970  1
  H  H7  1  0.500000  0.083876  0.371212  1
  H  H8  1  0.000000  0.818637  0.416667  1
  H  H9  1  0.000000  0.876571  0.492424  1
  H  H10  1  0.500000  0.611331  0.537879  1
  H  H11  1  0.500000  0.553397  0.462121  1
  H  H12  1  0.000000  0.288158  0.507576  1
  H  H13  1  0.000000  0.346092  0.583333  1
  H  H14  1  0.500000  0.080852  0.628788  1
  H  H15  1  0.500000  0.022918  0.553030  1
  H  H16  1  0.000000  0.757678  0.598485  1
  H  H17  1  0.000000  0.815612  0.674242  1
  H  H18  1  0.500000  0.550373  0.719697  1
  H  H19  1  0.500000  0.492439  0.643939  1
  H  H20  1  0.000000  0.227199  0.689394  1
