# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21517808
_cell_length_b   3.90105057
_cell_length_c   36.54621578
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.71296450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   886.078342849
_cell_formula_units_Z   22
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  0.659158  0.566648  0.428953  1
  H  H2  1  0.296187  0.563963  0.448146  1
  H  H3  1  0.069974  0.064857  0.440340  1
  H  H4  1  0.718635  0.065842  0.463194  1
  H  H5  1  -0.058825  0.565264  0.470554  1
  H  H6  1  0.579962  0.565266  0.491561  1
  H  H7  1  0.366427  0.064591  0.481989  1
  H  H8  1  0.016954  0.065350  0.504075  1
  H  H9  1  0.225192  0.565058  0.511121  1
  H  H10  1  -0.132203  0.565471  0.531798  1
  H  H11  1  0.663104  0.065583  0.524850  1
  H  H12  1  0.311200  0.065767  0.544591  1
  H  H13  1  0.511321  0.565704  0.552506  1
  H  H14  1  0.155403  0.565936  0.572213  1
  H  H15  1  -0.043393  0.066056  0.565602  1
  H  H16  1  0.601370  0.066189  0.586271  1
  H  H17  1  0.799932  0.566060  0.592833  1
  H  H18  1  0.443528  0.566171  0.613325  1
  H  H19  1  0.246095  0.066341  0.606509  1
  H  H20  1  -0.109087  0.066314  0.627105  1
  H  H21  1  0.088369  0.566164  0.633585  1
  H  H22  1  0.732849  0.566177  0.654033  1
  H  H23  1  0.535090  0.066393  0.647619  1
  H  H24  1  0.179569  0.066407  0.668067  1
  H  H25  1  0.377025  0.566257  0.674547  1
  H  H26  1  0.021843  0.566230  0.695143  1
  H  H27  1  0.824411  0.066400  0.688327  1
  H  H28  1  0.468007  0.066511  0.708819  1
  H  H29  1  0.666568  0.566382  0.715381  1
  H  H30  1  0.311331  0.566515  0.736050  1
  H  H31  1  0.112535  0.066635  0.729439  1
  H  H32  1  0.756617  0.066867  0.749146  1
  H  H33  1  -0.043261  0.566804  0.757061  1
  H  H34  1  0.604835  0.566988  0.776802  1
  H  H35  1  0.400141  0.067100  0.769854  1
  H  H36  1  0.042746  0.067512  0.790531  1
  H  H37  1  0.250985  0.567221  0.797577  1
  H  H38  1  -0.098489  0.567980  0.819663  1
  H  H39  1  0.687976  0.067305  0.810091  1
  H  H40  1  0.326763  0.067306  0.831098  1
  H  H41  1  0.549303  0.566729  0.838458  1
  H  H42  1  0.197964  0.567714  0.861312  1
  H  H43  1  -0.028249  0.068608  0.853506  1
  H  H44  1  0.608780  0.065923  0.872699  1
