# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27357266
_cell_length_b   8.52688186
_cell_length_c   54.39537212
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.41991944
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H52
_cell_volume   1047.92221486
_cell_formula_units_Z   26
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  0.441024  0.901202  0.240702  1
  H  H2  1  0.203329  0.412625  0.240399  1
  H  H3  1  0.143007  0.287133  0.203780  1
  H  H4  1  0.267435  0.562584  0.205550  1
  H  H5  1  0.889572  0.796301  0.276652  1
  H  H6  1  0.652078  0.305525  0.273904  1
  H  H7  1  0.590216  0.168852  0.237432  1
  H  H8  1  0.815942  0.656140  0.240920  1
  H  H9  1  0.336669  0.688747  0.311242  1
  H  H10  1  0.099206  0.199258  0.307872  1
  H  H11  1  1.033540  1.061487  0.271556  1
  H  H12  1  0.268170  0.551306  0.275539  1
  H  H13  1  0.782590  0.581059  0.345528  1
  H  H14  1  0.545707  1.092984  0.342113  1
  H  H15  1  0.478995  0.955945  0.305911  1
  H  H16  1  0.715191  0.443392  0.309539  1
  H  H17  1  0.228689  0.473964  0.379776  1
  H  H18  1  0.991905  0.986273  0.376382  1
  H  H19  1  0.924925  0.849259  0.340249  1
  H  H20  1  0.161504  0.336471  0.343687  1
  H  H21  1  0.674853  0.367103  0.414042  1
  H  H22  1  0.438027  0.879395  0.410635  1
  H  H23  1  0.370912  0.742216  0.374513  1
  H  H24  1  0.607700  0.229784  0.377930  1
  H  H25  1  0.121016  0.260239  0.448307  1
  H  H26  1  0.884170  0.772520  0.444888  1
  H  H27  1  0.817031  0.635271  0.408770  1
  H  H28  1  0.053878  0.122991  0.412190  1
  H  H29  1  0.567136  0.153295  0.482564  1
  H  H30  1  0.330347  0.665727  0.479147  1
  H  H31  1  0.263194  0.528407  0.443035  1
  H  H32  1  0.500020  1.016116  0.446442  1
  H  H33  1  1.013122  1.046252  0.516828  1
  H  H34  1  0.776543  0.559040  0.513391  1
  H  H35  1  0.709358  0.421547  0.477301  1
  H  H36  1  0.946142  0.909238  0.480696  1
  H  H37  1  0.459053  0.939566  0.551166  1
  H  H38  1  0.222857  0.452119  0.547539  1
  H  H39  1  0.155457  0.314451  0.511549  1
  H  H40  1  0.392340  0.802526  0.514965  1
  H  H41  1  0.904507  0.834024  0.585521  1
  H  H42  1  0.669877  0.344205  0.581538  1
  H  H43  1  0.601378  0.206764  0.545836  1
  H  H44  1  0.838842  0.696253  0.549205  1
  H  H45  1  0.347831  0.726659  0.619645  1
  H  H46  1  0.122105  0.239371  0.616157  1
  H  H47  1  0.048475  1.099210  0.580426  1
  H  H48  1  0.285969  0.589986  0.583173  1
  H  H49  1  0.795041  0.608378  0.653298  1
  H  H50  1  0.670612  0.332927  0.651527  1
  H  H51  1  0.497024  0.994309  0.616376  1
  H  H52  1  0.734719  0.482886  0.616678  1
