# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27224492
_cell_length_b   5.50851579
_cell_length_c   55.75238299
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.70357328
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   687.851720681
_cell_formula_units_Z   16
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  0.331874  0.171560  0.210131  1
  H  H2  1  0.647792  0.797558  0.222619  1
  H  H3  1  0.967410  0.439861  0.236515  1
  H  H4  1  0.284580  1.073262  0.249755  1
  H  H5  1  0.606273  0.712746  0.262814  1
  H  H6  1  0.922695  0.348094  0.275934  1
  H  H7  1  0.242948  0.984911  0.289168  1
  H  H8  1  0.561179  0.621216  0.302280  1
  H  H9  1  0.879635  0.257847  0.315512  1
  H  H10  1  0.198198  0.894167  0.328708  1
  H  H11  1  0.517177  0.530797  0.341882  1
  H  H12  1  0.835933  0.167300  0.355083  1
  H  H13  1  0.154751  0.803799  0.368276  1
  H  H14  1  0.473589  0.440345  0.381462  1
  H  H15  1  0.792333  1.076862  0.394657  1
  H  H16  1  0.111139  0.713370  0.407849  1
  H  H17  1  0.429938  0.349897  0.421040  1
  H  H18  1  0.748736  0.986424  0.434231  1
  H  H19  1  0.386287  0.259450  0.460618  1
  H  H20  1  0.705124  0.895995  0.473804  1
  H  H21  1  0.067543  0.622932  0.447423  1
  H  H22  1  0.342699  0.168997  0.500198  1
  H  H23  1  0.661677  0.805628  0.513372  1
  H  H24  1  1.023942  0.532495  0.486997  1
  H  H25  1  0.298696  1.078578  0.539799  1
  H  H26  1  0.616927  0.714883  0.552912  1
  H  H27  1  0.980241  0.441947  0.526568  1
  H  H28  1  0.253602  0.987048  0.579266  1
  H  H29  1  0.575296  0.626533  0.592325  1
  H  H30  1  0.937180  0.351700  0.566146  1
  H  H31  1  0.212083  0.902236  0.619460  1
  H  H32  1  0.528001  0.528234  0.631949  1
  H  H33  1  0.892465  0.259934  0.605565  1
