# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74778932
_cell_length_b   4.23724375
_cell_length_c   34.57947578
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.34103378
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H34
_cell_volume   693.35543849
_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  0.653835  0.311609  0.440754  1
  H  H2  1  -0.113311  0.779627  0.453254  1
  H  H3  1  0.140409  0.222673  0.465275  1
  H  H4  1  0.360415  0.670528  0.477618  1
  H  H5  1  0.584781  1.078084  0.497221  1
  H  H6  1  0.806063  0.510446  0.507664  1
  H  H7  1  0.039090  0.942929  0.520037  1
  H  H8  1  0.256017  0.380904  0.532506  1
  H  H9  1  0.483063  0.795853  0.548373  1
  H  H10  1  0.706718  0.230537  0.561123  1
  H  H11  1  -0.065572  0.662325  0.573776  1
  H  H12  1  0.158137  0.094487  0.586544  1
  H  H13  1  0.381605  0.518930  0.601056  1
  H  H14  1  0.606352  0.949390  0.614217  1
  H  H15  1  -0.167227  0.379403  0.627400  1
  H  H16  1  0.056480  0.811572  0.640397  1
  H  H17  1  0.281544  0.239316  0.654098  1
  H  H18  1  0.506160  0.669129  0.667373  1
  H  H19  1  0.731224  0.096873  0.681074  1
  H  H20  1  -0.045068  0.529042  0.694070  1
  H  H21  1  0.181353  0.959055  0.707253  1
  H  H22  1  0.406099  0.389514  0.720414  1
  H  H23  1  0.629568  0.813958  0.734926  1
  H  H24  1  -0.146723  0.246120  0.747694  1
  H  H25  1  0.080987  0.677908  0.760348  1
  H  H26  1  0.304641  0.112592  0.773098  1
  H  H27  1  0.531687  0.527541  0.788964  1
  H  H28  1  0.748615  0.965516  0.801434  1
  H  H29  1  -0.018359  0.397999  0.813806  1
  H  H30  1  0.202924  0.830361  0.824249  1
  H  H31  1  0.427289  0.237917  0.843853  1
  H  H32  1  0.647296  0.685771  0.856196  1
  H  H33  1  -0.098985  0.128817  0.868217  1
  H  H34  1  0.133870  0.596836  0.880717  1
