# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27130211
_cell_length_b   5.79710801
_cell_length_c   43.10065215
_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   H27
_cell_volume   567.505583683
_cell_formula_units_Z   13
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  0.101813  0.283891  0.356874  1
  H  H2  1  0.601813  0.944149  0.377708  1
  H  H3  1  0.101813  0.672213  0.347749  1
  H  H4  1  0.101813  0.215882  0.407730  1
  H  H5  1  0.101813  0.845763  0.424152  1
  H  H6  1  0.601813  0.557705  0.394460  1
  H  H7  1  0.601813  0.137057  0.453496  1
  H  H8  1  0.601813  0.775885  0.472035  1
  H  H9  1  0.101813  0.489949  0.443878  1
  H  H10  1  0.101813  0.064316  0.500450  1
  H  H11  1  0.101813  0.701477  0.519246  1
  H  H12  1  0.601813  0.412922  0.491204  1
  H  H13  1  0.601813  0.989777  0.547652  1
  H  H14  1  0.601813  0.627619  0.566311  1
  H  H15  1  0.101813  0.338432  0.538391  1
  H  H16  1  0.101813  0.914394  0.595367  1
  H  H17  1  0.101813  0.553749  0.613212  1
  H  H18  1  0.601813  0.263675  0.585386  1
  H  H19  1  0.601813  0.836286  0.644913  1
  H  H20  1  0.101813  0.495216  0.664020  1
  H  H21  1  0.101813  0.186960  0.632207  1
  H  H22  1  0.101813  0.809836  0.694179  1
  H  H23  1  0.601813  0.465408  0.710722  1
  H  H24  1  0.601813  0.148975  0.679173  1
  H  H25  1  0.601813  0.780496  0.742841  1
  H  H26  1  0.101813  0.430198  0.758656  1
  H  H27  1  0.101813  0.120380  0.726860  1
