# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55770790
_cell_length_b   3.56186278
_cell_length_c   45.37793250
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.59691970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H34
_cell_volume   574.441663078
_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  0.701818  0.307266  0.283625  1
  H  H2  1  0.856325  0.153132  0.295460  1
  H  H3  1  0.039135  0.970762  0.309463  1
  H  H4  1  0.206768  0.803532  0.322303  1
  H  H5  1  0.380653  0.630067  0.335623  1
  H  H6  1  0.551526  0.459605  0.348712  1
  H  H7  1  0.723768  0.287778  0.361905  1
  H  H8  1  0.895369  0.116590  0.375050  1
  H  H9  1  0.067266  0.945107  0.388217  1
  H  H10  1  0.239026  0.773761  0.401374  1
  H  H11  1  0.410849  0.602352  0.414535  1
  H  H12  1  0.582642  0.430972  0.427695  1
  H  H13  1  0.754450  0.259579  0.440855  1
  H  H14  1  0.926251  0.088192  0.454015  1
  H  H15  1  0.098055  0.916801  0.467175  1
  H  H16  1  0.269857  0.745413  0.480335  1
  H  H17  1  0.441660  0.574023  0.493495  1
  H  H18  1  0.613463  0.402634  0.506655  1
  H  H19  1  0.785266  0.231245  0.519815  1
  H  H20  1  0.957069  0.059856  0.532975  1
  H  H21  1  0.128873  0.888466  0.546135  1
  H  H22  1  0.300674  0.717079  0.559295  1
  H  H23  1  0.472481  0.545686  0.572455  1
  H  H24  1  0.644275  0.374306  0.585614  1
  H  H25  1  0.816098  0.202896  0.598776  1
  H  H26  1  0.987857  0.031551  0.611932  1
  H  H27  1  0.159754  0.860068  0.625100  1
  H  H28  1  0.331355  0.688880  0.638244  1
  H  H29  1  0.503597  0.517053  0.651438  1
  H  H30  1  0.674471  0.346591  0.664526  1
  H  H31  1  0.848356  0.173125  0.677846  1
  H  H32  1  0.015989  0.005896  0.690687  1
  H  H33  1  0.198799  0.823526  0.704690  1
  H  H34  1  0.353305  0.669392  0.716525  1
