# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.17214257
_cell_length_b   5.96844115
_cell_length_c   55.91369689
_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   H33
_cell_volume   724.88222605
_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  0.817267  0.772878  0.232415  1
  H  H2  1  0.317134  0.486238  0.210285  1
  H  H3  1  0.317219  1.121725  0.224180  1
  H  H4  1  0.316971  0.698386  0.269190  1
  H  H5  1  0.816792  0.409938  0.247267  1
  H  H6  1  0.817502  1.049512  0.261379  1
  H  H7  1  0.815280  0.623828  0.306095  1
  H  H8  1  0.316466  0.336758  0.283763  1
  H  H9  1  0.319223  0.974803  0.298003  1
  H  H10  1  0.309889  0.547099  0.343225  1
  H  H11  1  0.815177  0.262260  0.320478  1
  H  H12  1  0.828350  0.901455  0.334590  1
  H  H13  1  0.781768  0.474134  0.381755  1
  H  H14  1  0.315144  0.190872  0.357423  1
  H  H15  1  0.348957  0.824240  0.370503  1
  H  H16  1  0.244206  0.369200  0.419738  1
  H  H17  1  0.827553  1.101713  0.393423  1
  H  H18  1  0.194510  0.741223  0.408232  1
  H  H19  1  0.720075  0.296647  0.458125  1
  H  H20  1  0.672018  1.018452  0.431172  1
  H  H21  1  0.708569  0.652593  0.444249  1
  H  H22  1  0.216070  0.221034  0.494983  1
  H  H23  1  0.195162  0.941187  0.467204  1
  H  H24  1  0.211361  0.580726  0.481256  1
  H  H25  1  0.717297  1.142596  0.530871  1
  H  H26  1  0.707496  0.864742  0.504055  1
  H  H27  1  0.711081  0.509537  0.518473  1
  H  H28  1  0.705376  1.064599  0.569190  1
  H  H29  1  0.210637  0.794727  0.542468  1
  H  H30  1  0.211791  0.413538  0.554631  1
  H  H31  1  0.207772  0.949517  0.604537  1
  H  H32  1  0.709472  0.682259  0.579066  1
  H  H33  1  0.204239  0.339023  0.594551  1
