# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26728357
_cell_length_b   9.48612001
_cell_length_c   43.21132010
_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   H45
_cell_volume   929.377148734
_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  0.140167  0.583712  0.351124  1
  H  H2  1  0.164043  0.186548  0.338616  1
  H  H3  1  0.114116  0.812089  0.331312  1
  H  H4  1  0.628659  0.770137  0.379040  1
  H  H5  1  0.636715  0.370852  0.365835  1
  H  H6  1  0.577474  0.987681  0.360346  1
  H  H7  1  0.141124  0.945415  0.409839  1
  H  H8  1  0.673423  0.556320  0.399254  1
  H  H9  1  0.889325  0.163094  0.389700  1
  H  H10  1  0.443983  0.139980  0.436779  1
  H  H11  1  0.670996  0.748322  0.430652  1
  H  H12  1  0.195626  0.352707  0.414912  1
  H  H13  1  0.724845  0.333819  0.463044  1
  H  H14  1  0.704075  0.942366  0.461671  1
  H  H15  1  0.181673  0.542635  0.446402  1
  H  H16  1  0.676963  0.528761  0.493090  1
  H  H17  1  0.158909  0.136005  0.487477  1
  H  H18  1  0.183650  0.735169  0.478154  1
  H  H19  1  0.678992  0.711604  0.526188  1
  H  H20  1  0.667261  0.316268  0.515175  1
  H  H21  1  0.179129  0.919870  0.510957  1
  H  H22  1  0.675593  0.891175  0.559883  1
  H  H23  1  0.175615  0.502535  0.540420  1
  H  H24  1  0.671061  0.103319  0.536518  1
  H  H25  1  0.173514  0.076734  0.584825  1
  H  H26  1  0.175831  0.682315  0.574283  1
  H  H27  1  0.172865  0.288805  0.562958  1
  H  H28  1  0.673997  0.262635  0.611188  1
  H  H29  1  0.174796  0.862142  0.607843  1
  H  H30  1  0.674606  0.474328  0.588573  1
  H  H31  1  0.174472  0.446313  0.637954  1
  H  H32  1  0.674190  0.048303  0.632283  1
  H  H33  1  0.674881  0.653046  0.622610  1
  H  H34  1  0.174586  0.629197  0.671315  1
  H  H35  1  0.174321  0.229307  0.659540  1
  H  H36  1  0.674578  0.835756  0.655276  1
  H  H37  1  0.174532  0.833052  0.701996  1
  H  H38  1  0.674449  0.415346  0.687633  1
  H  H39  1  0.674434  0.036476  0.683982  1
  H  H40  1  0.674471  1.004372  0.735538  1
  H  H41  1  0.674520  0.624212  0.718573  1
  H  H42  1  0.174411  0.213534  0.711595  1
  H  H43  1  0.674443  0.222299  0.759449  1
  H  H44  1  0.174496  0.787262  0.752961  1
  H  H45  1  0.174469  0.424872  0.737339  1
