# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38230955
_cell_length_b   4.47051318
_cell_length_c   35.35179184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.33448213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H34
_cell_volume   690.288194302
_cell_formula_units_Z   17
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  0.902119  0.122916  0.429478  1
  H  H2  1  0.430887  -0.110966  0.440392  1
  H  H3  1  0.988925  0.627437  0.454324  1
  H  H4  1  0.535234  0.406536  0.465304  1
  H  H5  1  0.134280  0.166969  0.485212  1
  H  H6  1  0.693260  -0.049463  0.494758  1
  H  H7  1  0.265775  0.704803  0.508532  1
  H  H8  1  0.822236  0.488248  0.519656  1
  H  H9  1  0.411738  0.252234  0.536276  1
  H  H10  1  0.971865  0.029673  0.547762  1
  H  H11  1  0.545122  0.792208  0.561378  1
  H  H12  1  0.106675  0.568784  0.573213  1
  H  H13  1  0.686869  0.336054  0.588439  1
  H  H14  1  0.250978  0.110728  0.600478  1
  H  H15  1  0.824450  -0.124479  0.614535  1
  H  H16  1  0.386913  0.650873  0.626644  1
  H  H17  1  0.963060  0.416827  0.641124  1
  H  H18  1  0.527852  0.191768  0.653303  1
  H  H19  1  0.103999  -0.042279  0.667782  1
  H  H20  1  0.666462  0.733074  0.679892  1
  H  H21  1  0.239934  0.497867  0.693949  1
  H  H22  1  0.804043  0.272541  0.705988  1
  H  H23  1  0.384237  0.039811  0.721214  1
  H  H24  1  0.945790  0.816387  0.733049  1
  H  H25  1  0.519047  0.578922  0.746665  1
  H  H26  1  1.079175  0.356361  0.758151  1
  H  H27  1  0.668676  0.120347  0.774771  1
  H  H28  1  0.225138  -0.096208  0.785895  1
  H  H29  1  0.797653  0.658058  0.799669  1
  H  H30  1  0.356633  0.441626  0.809214  1
  H  H31  1  0.955678  0.202058  0.829123  1
  H  H32  1  0.501987  -0.018842  0.840103  1
  H  H33  1  1.060025  0.719561  0.854035  1
  H  H34  1  0.588793  0.485679  0.864949  1
