# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29441249
_cell_length_b   9.75460918
_cell_length_c   46.41136710
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.73340358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H52
_cell_volume   1031.5725842
_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  0.299741  0.594700  0.276627  1
  H  H2  1  0.027240  0.049811  0.290447  1
  H  H3  1  0.421211  0.837619  0.278792  1
  H  H4  1  0.146756  0.288373  0.294644  1
  H  H5  1  0.741935  0.478952  0.312712  1
  H  H6  1  0.462498  0.920135  0.326110  1
  H  H7  1  0.860111  0.715298  0.314683  1
  H  H8  1  0.580233  0.155435  0.330091  1
  H  H9  1  0.177248  0.349534  0.345659  1
  H  H10  1  0.898982  0.792945  0.361510  1
  H  H11  1  0.297676  0.590330  0.349506  1
  H  H12  1  0.016540  0.027969  0.364862  1
  H  H13  1  0.614534  0.224012  0.379576  1
  H  H14  1  0.334961  0.664793  0.396565  1
  H  H15  1  0.733895  0.462674  0.383111  1
  H  H16  1  0.453360  0.901499  0.399826  1
  H  H17  1  0.052065  0.098937  0.413874  1
  H  H18  1  0.771195  0.537149  0.430995  1
  H  H19  1  0.171104  0.336975  0.417227  1
  H  H20  1  0.890230  0.775134  0.434500  1
  H  H21  1  0.489465  0.973614  0.448340  1
  H  H22  1  0.208015  0.410664  0.465412  1
  H  H23  1  0.608400  0.211434  0.451571  1
  H  H24  1  0.327083  0.648727  0.468829  1
  H  H25  1  0.926608  0.847782  0.482752  1
  H  H26  1  0.645097  0.284701  0.499862  1
  H  H27  1  0.045625  0.085754  0.486030  1
  H  H28  1  0.764114  0.522673  0.503140  1
  H  H29  1  0.363639  0.721728  0.517063  1
  H  H30  1  0.082322  0.159022  0.534321  1
  H  H31  1  0.482707  0.959792  0.520480  1
  H  H32  1  0.201257  0.396841  0.537552  1
  H  H33  1  0.800492  0.595322  0.551392  1
  H  H34  1  0.519618  0.033480  0.568665  1
  H  H35  1  0.919527  0.833306  0.554897  1
  H  H36  1  0.638658  0.271518  0.572018  1
  H  H37  1  0.237362  0.468957  0.586066  1
  H  H38  1  0.956827  0.907781  0.602781  1
  H  H39  1  0.355761  0.705662  0.589327  1
  H  H40  1  0.076189  0.146443  0.606316  1
  H  H41  1  0.674183  0.342486  0.621030  1
  H  H42  1  0.393046  0.780126  0.636386  1
  H  H43  1  0.791740  0.577511  0.624382  1
  H  H44  1  0.513474  0.020921  0.640233  1
  H  H45  1  0.110489  0.215020  0.655801  1
  H  H46  1  0.830612  0.655157  0.671209  1
  H  H47  1  0.228224  0.450320  0.659782  1
  H  H48  1  0.948787  0.891503  0.673180  1
  H  H49  1  0.543966  0.082082  0.691248  1
  H  H50  1  0.269511  0.532836  0.707100  1
  H  H51  1  0.663483  0.320644  0.695445  1
  H  H52  1  0.390981  0.775755  0.709265  1
