# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55754785
_cell_length_b   4.98010700
_cell_length_c   46.07098461
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.45018730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   816.200622669
_cell_formula_units_Z   24
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  0.708116  0.519143  0.288136  1
  H  H2  1  0.208116  0.019143  0.288136  1
  H  H3  1  0.546575  0.520250  0.304795  1
  H  H4  1  0.046575  0.020250  0.304795  1
  H  H5  1  0.355442  0.521561  0.324507  1
  H  H6  1  0.855442  0.021561  0.324507  1
  H  H7  1  0.180177  0.522763  0.342582  1
  H  H8  1  0.680177  0.022763  0.342582  1
  H  H9  1  0.998375  0.524009  0.361331  1
  H  H10  1  0.498375  0.024009  0.361331  1
  H  H11  1  0.819722  0.525234  0.379756  1
  H  H12  1  0.319722  0.025234  0.379756  1
  H  H13  1  0.639638  0.526469  0.398328  1
  H  H14  1  0.139638  0.026469  0.398328  1
  H  H15  1  0.460224  0.527699  0.416830  1
  H  H16  1  0.960224  0.027699  0.416830  1
  H  H17  1  0.280501  0.528931  0.435365  1
  H  H18  1  0.780501  0.028931  0.435365  1
  H  H19  1  0.100922  0.530162  0.453885  1
  H  H20  1  0.600922  0.030162  0.453885  1
  H  H21  1  0.921274  0.531394  0.472412  1
  H  H22  1  0.421274  0.031394  0.472412  1
  H  H23  1  0.741661  0.532626  0.490936  1
  H  H24  1  0.241661  0.032626  0.490936  1
  H  H25  1  0.562027  0.533857  0.509461  1
  H  H26  1  0.062027  0.033857  0.509461  1
  H  H27  1  0.382414  0.535089  0.527985  1
  H  H28  1  0.882414  0.035089  0.527985  1
  H  H29  1  0.202767  0.536320  0.546512  1
  H  H30  1  0.702767  0.036320  0.546512  1
  H  H31  1  0.023188  0.537552  0.565032  1
  H  H32  1  0.523188  0.037552  0.565032  1
  H  H33  1  0.843464  0.538784  0.583566  1
  H  H34  1  0.343464  0.038784  0.583566  1
  H  H35  1  0.664051  0.540014  0.602069  1
  H  H36  1  0.164051  0.040014  0.602069  1
  H  H37  1  0.483967  0.541249  0.620641  1
  H  H38  1  0.983967  0.041249  0.620641  1
  H  H39  1  0.305314  0.542474  0.639066  1
  H  H40  1  0.805314  0.042474  0.639066  1
  H  H41  1  0.123512  0.543720  0.657815  1
  H  H42  1  0.623512  0.043720  0.657815  1
  H  H43  1  0.948246  0.544922  0.675890  1
  H  H44  1  0.448246  0.044922  0.675890  1
  H  H45  1  0.757113  0.546232  0.695601  1
  H  H46  1  0.257113  0.046232  0.695601  1
  H  H47  1  0.595573  0.547340  0.712261  1
  H  H48  1  0.095573  0.047340  0.712261  1
