# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.40031502
_cell_length_b   8.60726271
_cell_length_c   52.92606127
_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   H54
_cell_volume   1093.45993857
_cell_formula_units_Z   27
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  0.613588  0.926882  0.258401  1
  H  H2  1  0.529864  0.527071  0.292549  1
  H  H3  1  0.519244  0.192564  0.265117  1
  H  H4  1  0.069379  0.028064  0.292773  1
  H  H5  1  0.078205  0.692415  0.265026  1
  H  H6  1  0.989169  0.426409  0.258218  1
  H  H7  1  0.559749  0.799679  0.298833  1
  H  H8  1  0.543021  0.406699  0.332695  1
  H  H9  1  0.550666  0.133335  0.325568  1
  H  H10  1  1.046124  0.906868  0.332642  1
  H  H11  1  1.043499  0.633352  0.325124  1
  H  H12  1  1.033031  0.299162  0.298962  1
  H  H13  1  0.545124  0.737600  0.357922  1
  H  H14  1  0.544767  0.345660  0.390783  1
  H  H15  1  0.543563  0.012291  0.366915  1
  H  H16  1  1.044460  0.832998  0.390707  1
  H  H17  1  1.045063  0.516686  0.366418  1
  H  H18  1  1.045619  0.238107  0.358288  1
  H  H19  1  0.544582  0.612467  0.401968  1
  H  H20  1  0.544349  0.204610  0.437257  1
  H  H21  1  0.544296  0.949128  0.421348  1
  H  H22  1  1.044417  0.738672  0.434306  1
  H  H23  1  1.044559  0.423310  0.424622  1
  H  H24  1  1.043964  0.129271  0.400118  1
  H  H25  1  0.544468  0.551383  0.454023  1
  H  H26  1  0.544400  0.140225  0.484080  1
  H  H27  1  0.544333  0.793754  0.472486  1
  H  H28  1  1.044388  0.588897  0.490297  1
  H  H29  1  1.044407  0.342783  0.468532  1
  H  H30  1  1.044339  -0.002496  0.456496  1
  H  H31  1  0.544386  0.389346  0.506528  1
  H  H32  1  0.544326  -0.004450  0.540627  1
  H  H33  1  0.544352  0.729531  0.518138  1
  H  H34  1  1.044205  0.524961  0.538138  1
  H  H35  1  1.044517  0.179764  0.520123  1
  H  H36  1  1.044316  0.935616  0.502590  1
  H  H37  1  0.544793  0.303527  0.549989  1
  H  H38  1  0.545730  0.897320  0.583959  1
  H  H39  1  0.543102  0.606985  0.574976  1
  H  H40  1  1.045909  0.388449  0.583395  1
  H  H41  1  1.044034  0.118923  0.573334  1
  H  H42  1  1.044433  0.784018  0.552933  1
  H  H43  1  0.543205  0.219391  0.608428  1
  H  H44  1  0.561420  0.828671  0.642419  1
  H  H45  1  0.552935  0.494373  0.616086  1
  H  H46  1  1.037199  0.328157  0.642308  1
  H  H47  1  1.046861  -0.003483  0.616535  1
  H  H48  1  1.046336  0.721957  0.608334  1
  H  H49  1  0.539566  0.101647  0.649163  1
  H  H50  1  0.616824  0.701462  0.682939  1
  H  H51  1  0.525811  0.435951  0.676136  1
  H  H52  1  1.002946  0.202483  0.683443  1
  H  H53  1  0.082387  0.935736  0.676411  1
  H  H54  1  0.072395  0.600964  0.648525  1
