# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13119765
_cell_length_b   9.67047509
_cell_length_c   49.04561485
_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   H24
_cell_volume   2433.69829053
_cell_formula_units_Z   12
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  0.097268  0.351190  1
  H  H2  1  0.500000  0.519580  0.315476  1
  H  H3  1  0.500000  0.878809  0.327381  1
  H  H4  1  0.000000  0.301121  0.291667  1
  H  H5  1  0.000000  0.252645  0.422619  1
  H  H6  1  0.500000  0.674956  0.386905  1
  H  H7  1  0.500000  0.034186  0.398810  1
  H  H8  1  0.000000  0.456498  0.363095  1
  H  H9  1  0.000000  0.408021  0.494048  1
  H  H10  1  0.500000  0.830333  0.458333  1
  H  H11  1  0.500000  0.189562  0.470238  1
  H  H12  1  0.000000  0.611874  0.434524  1
  H  H13  1  0.000000  0.563398  0.565476  1
  H  H14  1  0.500000  0.985710  0.529762  1
  H  H15  1  0.500000  0.344939  0.541667  1
  H  H16  1  0.000000  0.767251  0.505952  1
  H  H17  1  0.000000  0.718774  0.636905  1
  H  H18  1  0.500000  0.141086  0.601190  1
  H  H19  1  0.500000  0.500316  0.613095  1
  H  H20  1  0.000000  0.922627  0.577381  1
  H  H21  1  0.000000  0.874151  0.708333  1
  H  H22  1  0.500000  0.296463  0.672619  1
  H  H23  1  0.500000  0.655692  0.684524  1
  H  H24  1  0.000000  0.078004  0.648810  1
