# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.25675370
_cell_length_b   6.64229686
_cell_length_c   60.40219894
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   882.504639068
_cell_formula_units_Z   21
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  0.588451  0.820964  0.183730  1
  H  H2  1  0.255117  0.154298  0.183730  1
  H  H3  1  0.921784  0.487631  0.183730  1
  H  H4  1  1.017887  0.685110  0.215142  1
  H  H5  1  0.684554  1.018443  0.215142  1
  H  H6  1  0.351221  0.351776  0.215142  1
  H  H7  1  0.442525  0.550461  0.246232  1
  H  H8  1  1.109191  0.883794  0.246232  1
  H  H9  1  0.775858  0.217128  0.246232  1
  H  H10  1  1.039171  0.682177  0.277599  1
  H  H11  1  0.705838  1.015510  0.277599  1
  H  H12  1  0.372504  0.348844  0.277599  1
  H  H13  1  0.460922  0.547903  0.308825  1
  H  H14  1  1.127589  0.881236  0.308825  1
  H  H15  1  0.794255  0.214569  0.308825  1
  H  H16  1  0.895535  0.410600  0.339931  1
  H  H17  1  0.562202  0.743934  0.339931  1
  H  H18  1  0.228868  0.077267  0.339931  1
  H  H19  1  0.325807  0.273770  0.371043  1
  H  H20  1  0.992473  0.607103  0.371043  1
  H  H21  1  0.659140  0.940437  0.371043  1
  H  H22  1  0.424533  0.470113  0.402159  1
  H  H23  1  1.091200  0.803447  0.402159  1
  H  H24  1  0.757867  0.136780  0.402159  1
  H  H25  1  0.854805  0.333283  0.433271  1
  H  H26  1  0.521472  0.666616  0.433271  1
  H  H27  1  1.188138  0.999950  0.433271  1
  H  H28  1  0.289418  0.195981  0.464377  1
  H  H29  1  0.956085  0.529314  0.464377  1
  H  H30  1  0.622751  0.862647  0.464377  1
  H  H31  1  0.711169  0.061706  0.495603  1
  H  H32  1  0.377836  0.395040  0.495603  1
  H  H33  1  1.044502  0.728373  0.495603  1
  H  H34  1  0.307815  0.193422  0.526970  1
  H  H35  1  0.974482  0.526756  0.526970  1
  H  H36  1  0.641149  0.860089  0.526970  1
  H  H37  1  0.732452  0.058774  0.558060  1
  H  H38  1  0.399119  0.392107  0.558060  1
  H  H39  1  1.065786  0.725440  0.558060  1
  H  H40  1  1.161889  0.922919  0.589472  1
  H  H41  1  0.828556  0.256252  0.589472  1
  H  H42  1  0.495223  0.589586  0.589472  1
