# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42256050
_cell_length_b   12.85534787
_cell_length_c   49.48549083
_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   H84
_cell_volume   2177.27281311
_cell_formula_units_Z   42
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  0.500000  0.708760  0.301990  1
  H  H2  1  0.500000  0.018466  0.324212  1
  H  H3  1  0.500000  0.399054  0.279767  1
  H  H4  1  0.500000  0.963010  0.320233  1
  H  H5  1  0.500000  0.343598  0.275788  1
  H  H6  1  0.500000  0.653304  0.298010  1
  H  H7  1  1.000000  0.899054  0.279767  1
  H  H8  1  1.000000  0.208760  0.301990  1
  H  H9  1  1.000000  0.518466  0.324212  1
  H  H10  1  1.000000  0.843598  0.275788  1
  H  H11  1  1.000000  0.153304  0.298010  1
  H  H12  1  1.000000  0.463010  0.320233  1
  H  H13  1  0.500000  0.637878  0.368656  1
  H  H14  1  0.500000  0.947584  0.390878  1
  H  H15  1  0.500000  0.328172  0.346434  1
  H  H16  1  0.500000  0.892128  0.386899  1
  H  H17  1  0.500000  0.272716  0.342455  1
  H  H18  1  0.500000  0.582422  0.364677  1
  H  H19  1  1.000000  0.828172  0.346434  1
  H  H20  1  1.000000  0.137878  0.368656  1
  H  H21  1  1.000000  0.447584  0.390878  1
  H  H22  1  1.000000  0.772716  0.342455  1
  H  H23  1  1.000000  0.082422  0.364677  1
  H  H24  1  1.000000  0.392128  0.386899  1
  H  H25  1  0.500000  0.566996  0.435323  1
  H  H26  1  0.500000  0.876702  0.457545  1
  H  H27  1  0.500000  0.257290  0.413101  1
  H  H28  1  0.500000  0.821247  0.453566  1
  H  H29  1  0.500000  0.201835  0.409122  1
  H  H30  1  0.500000  0.511541  0.431344  1
  H  H31  1  1.000000  0.757290  0.413101  1
  H  H32  1  1.000000  0.066996  0.435323  1
  H  H33  1  1.000000  0.376702  0.457545  1
  H  H34  1  1.000000  0.701835  0.409122  1
  H  H35  1  1.000000  0.011541  0.431344  1
  H  H36  1  1.000000  0.321247  0.453566  1
  H  H37  1  0.500000  0.496114  0.501990  1
  H  H38  1  0.500000  0.805820  0.524212  1
  H  H39  1  0.500000  0.186408  0.479767  1
  H  H40  1  0.500000  0.750365  0.520233  1
  H  H41  1  0.500000  0.130953  0.475788  1
  H  H42  1  0.500000  0.440659  0.498010  1
  H  H43  1  1.000000  0.686408  0.479767  1
  H  H44  1  1.000000  0.996114  0.501990  1
  H  H45  1  1.000000  0.305820  0.524212  1
  H  H46  1  1.000000  0.630953  0.475788  1
  H  H47  1  1.000000  0.940659  0.498010  1
  H  H48  1  1.000000  0.250365  0.520233  1
  H  H49  1  0.500000  0.425233  0.568656  1
  H  H50  1  0.500000  0.734939  0.590878  1
  H  H51  1  0.500000  0.115527  0.546434  1
  H  H52  1  0.500000  0.679483  0.586899  1
  H  H53  1  0.500000  0.060071  0.542455  1
  H  H54  1  0.500000  0.369777  0.564677  1
  H  H55  1  1.000000  0.615527  0.546434  1
  H  H56  1  1.000000  0.925233  0.568656  1
  H  H57  1  1.000000  0.234939  0.590878  1
  H  H58  1  1.000000  0.560071  0.542455  1
  H  H59  1  1.000000  0.869777  0.564677  1
  H  H60  1  1.000000  0.179483  0.586899  1
  H  H61  1  0.500000  0.354351  0.635323  1
  H  H62  1  0.500000  0.664057  0.657545  1
  H  H63  1  0.500000  0.044645  0.613101  1
  H  H64  1  0.500000  0.608601  0.653566  1
  H  H65  1  0.500000  0.989189  0.609122  1
  H  H66  1  0.500000  0.298895  0.631344  1
  H  H67  1  1.000000  0.544645  0.613101  1
  H  H68  1  1.000000  0.854351  0.635323  1
  H  H69  1  1.000000  0.164057  0.657545  1
  H  H70  1  1.000000  0.489189  0.609122  1
  H  H71  1  1.000000  0.798895  0.631344  1
  H  H72  1  1.000000  0.108601  0.653566  1
  H  H73  1  0.500000  0.283469  0.701990  1
  H  H74  1  0.500000  0.593175  0.724212  1
  H  H75  1  0.500000  0.973763  0.679767  1
  H  H76  1  0.500000  0.537720  0.720233  1
  H  H77  1  0.500000  0.918307  0.675788  1
  H  H78  1  0.500000  0.228014  0.698010  1
  H  H79  1  1.000000  0.473763  0.679767  1
  H  H80  1  1.000000  0.783469  0.701990  1
  H  H81  1  1.000000  0.093175  0.724212  1
  H  H82  1  1.000000  0.418307  0.675788  1
  H  H83  1  1.000000  0.728014  0.698010  1
  H  H84  1  1.000000  0.037720  0.720233  1
