# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27853939
_cell_length_b   7.60796628
_cell_length_c   42.74585937
_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   H36
_cell_volume   741.001646071
_cell_formula_units_Z   18
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  0.433764  0.261230  0.324833  1
  H  H2  1  -0.066236  0.983894  0.336868  1
  H  H3  1  -0.066236  0.536410  0.313049  1
  H  H4  1  -0.066236  0.439321  0.363054  1
  H  H5  1  0.433764  0.166072  0.374764  1
  H  H6  1  0.433764  0.714047  0.350200  1
  H  H7  1  0.433764  0.619237  0.400172  1
  H  H8  1  -0.066236  0.346306  0.412377  1
  H  H9  1  -0.066236  0.892349  0.387666  1
  H  H10  1  -0.066236  0.795832  0.437722  1
  H  H11  1  0.433764  0.525391  0.450321  1
  H  H12  1  0.433764  0.072317  0.424235  1
  H  H13  1  0.433764  0.978526  0.473427  1
  H  H14  1  -0.066236  0.700279  0.489117  1
  H  H15  1  -0.066236  0.251947  0.461767  1
  H  H16  1  -0.066236  0.158488  0.511570  1
  H  H17  1  0.433764  0.898312  0.522777  1
  H  H18  1  0.433764  0.425632  0.500307  1
  H  H19  1  -0.066236  0.366042  0.549273  1
  H  H20  1  0.433764  0.106342  0.560031  1
  H  H21  1  0.433764  0.625244  0.539416  1
  H  H22  1  -0.066236  0.570847  0.588034  1
  H  H23  1  0.433764  0.311135  0.597638  1
  H  H24  1  -0.066236  0.843627  0.569590  1
  H  H25  1  0.433764  0.790060  0.617353  1
  H  H26  1  0.433764  0.517000  0.635950  1
  H  H27  1  -0.066236  0.049993  0.607823  1
  H  H28  1  0.433764  0.995431  0.656058  1
  H  H29  1  -0.066236  0.735482  0.665496  1
  H  H30  1  -0.066236  0.254902  0.645434  1
  H  H31  1  0.433764  0.204423  0.693651  1
  H  H32  1  -0.066236  0.936681  0.704541  1
  H  H33  1  -0.066236  0.462163  0.682895  1
  H  H34  1  -0.066236  0.383905  0.733367  1
  H  H35  1  0.433764  0.104686  0.743588  1
  H  H36  1  0.433764  0.664631  0.715396  1
