# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64152136
_cell_length_b   12.77740096
_cell_length_c   47.87282700
_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   H84
_cell_volume   2227.48331188
_cell_formula_units_Z   42
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  0.000000  0.082764  0.339347  1
  H  H2  1  0.000000  0.470246  0.318514  1
  H  H3  1  0.000000  0.857728  0.297680  1
  H  H4  1  0.000000  0.905288  0.306486  1
  H  H5  1  0.000000  0.292770  0.285653  1
  H  H6  1  0.000000  0.517806  0.327320  1
  H  H7  1  0.500000  0.051469  0.287264  1
  H  H8  1  0.500000  0.276505  0.328930  1
  H  H9  1  0.500000  0.663987  0.308097  1
  H  H10  1  0.500000  0.099029  0.296070  1
  H  H11  1  0.500000  0.324064  0.337736  1
  H  H12  1  0.500000  0.711547  0.316903  1
  H  H13  1  0.000000  0.920317  0.401847  1
  H  H14  1  0.000000  0.307799  0.381014  1
  H  H15  1  0.000000  0.695282  0.360180  1
  H  H16  1  0.000000  0.742841  0.368986  1
  H  H17  1  0.000000  0.130323  0.348153  1
  H  H18  1  0.000000  0.355359  0.389820  1
  H  H19  1  0.500000  0.889023  0.349764  1
  H  H20  1  0.500000  0.114058  0.391430  1
  H  H21  1  0.500000  0.501541  0.370597  1
  H  H22  1  0.500000  0.936582  0.358570  1
  H  H23  1  0.500000  0.161618  0.400236  1
  H  H24  1  0.500000  0.549100  0.379403  1
  H  H25  1  0.000000  0.757871  0.464347  1
  H  H26  1  0.000000  0.145353  0.443514  1
  H  H27  1  0.000000  0.532835  0.422680  1
  H  H28  1  0.000000  0.580395  0.431486  1
  H  H29  1  0.000000  0.967877  0.410653  1
  H  H30  1  0.000000  0.192912  0.452320  1
  H  H31  1  0.500000  0.726576  0.412264  1
  H  H32  1  0.500000  0.951612  0.453930  1
  H  H33  1  0.500000  0.339094  0.433097  1
  H  H34  1  0.500000  0.774136  0.421070  1
  H  H35  1  0.500000  0.999171  0.462736  1
  H  H36  1  0.500000  0.386653  0.441903  1
  H  H37  1  0.000000  0.595424  0.526847  1
  H  H38  1  0.000000  0.982906  0.506014  1
  H  H39  1  0.000000  0.370388  0.485180  1
  H  H40  1  0.000000  0.417948  0.493986  1
  H  H41  1  0.000000  0.805430  0.473153  1
  H  H42  1  0.000000  0.030466  0.514820  1
  H  H43  1  0.500000  0.564130  0.474764  1
  H  H44  1  0.500000  0.789165  0.516430  1
  H  H45  1  0.500000  0.176647  0.495597  1
  H  H46  1  0.500000  0.611689  0.483570  1
  H  H47  1  0.500000  0.836725  0.525236  1
  H  H48  1  0.500000  0.224207  0.504403  1
  H  H49  1  0.000000  0.432977  0.589347  1
  H  H50  1  0.000000  0.820460  0.568514  1
  H  H51  1  0.000000  0.207942  0.547680  1
  H  H52  1  0.000000  0.255501  0.556486  1
  H  H53  1  0.000000  0.642983  0.535653  1
  H  H54  1  0.000000  0.868019  0.577320  1
  H  H55  1  0.500000  0.401683  0.537264  1
  H  H56  1  0.500000  0.626718  0.578930  1
  H  H57  1  0.500000  0.014201  0.558097  1
  H  H58  1  0.500000  0.449242  0.546070  1
  H  H59  1  0.500000  0.674278  0.587736  1
  H  H60  1  0.500000  0.061760  0.566903  1
  H  H61  1  0.000000  0.270531  0.651847  1
  H  H62  1  0.000000  0.658013  0.631014  1
  H  H63  1  0.000000  0.045495  0.610180  1
  H  H64  1  0.000000  0.093055  0.618986  1
  H  H65  1  0.000000  0.480537  0.598153  1
  H  H66  1  0.000000  0.705572  0.639820  1
  H  H67  1  0.500000  0.239236  0.599764  1
  H  H68  1  0.500000  0.464272  0.641430  1
  H  H69  1  0.500000  0.851754  0.620597  1
  H  H70  1  0.500000  0.286796  0.608570  1
  H  H71  1  0.500000  0.511831  0.650236  1
  H  H72  1  0.500000  0.899314  0.629403  1
  H  H73  1  0.000000  0.108084  0.714347  1
  H  H74  1  0.000000  0.495566  0.693514  1
  H  H75  1  0.000000  0.883049  0.672680  1
  H  H76  1  0.000000  0.930608  0.681486  1
  H  H77  1  0.000000  0.318090  0.660653  1
  H  H78  1  0.000000  0.543126  0.702320  1
  H  H79  1  0.500000  0.076790  0.662264  1
  H  H80  1  0.500000  0.301825  0.703930  1
  H  H81  1  0.500000  0.689307  0.683097  1
  H  H82  1  0.500000  0.124349  0.671070  1
  H  H83  1  0.500000  0.349385  0.712736  1
  H  H84  1  0.500000  0.736867  0.691903  1
