# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75568769
_cell_length_b   13.29632798
_cell_length_c   46.26346590
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.71690718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   4019.3193843
_cell_formula_units_Z   22
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  0.525115  0.216897  0.286458  1
  H  H2  1  0.769366  0.705398  0.307292  1
  H  H3  1  0.069656  0.972646  0.276042  1
  H  H4  1  0.313907  0.461147  0.296875  1
  H  H5  1  0.013617  0.193900  0.328125  1
  H  H6  1  0.257867  0.682401  0.348958  1
  H  H7  1  0.558158  0.949649  0.317708  1
  H  H8  1  0.802409  0.438151  0.338542  1
  H  H9  1  0.502118  0.170903  0.369792  1
  H  H10  1  0.746369  0.659405  0.390625  1
  H  H11  1  0.046659  0.926652  0.359375  1
  H  H12  1  0.290910  0.415154  0.380208  1
  H  H13  1  0.990620  0.147906  0.411458  1
  H  H14  1  0.234871  0.636408  0.432292  1
  H  H15  1  0.535161  0.903655  0.401042  1
  H  H16  1  0.779412  0.392157  0.421875  1
  H  H17  1  0.479121  0.124909  0.453125  1
  H  H18  1  0.723372  0.613411  0.473958  1
  H  H19  1  0.023663  0.880658  0.442708  1
  H  H20  1  0.267913  0.369160  0.463542  1
  H  H21  1  0.967623  0.101912  0.494792  1
  H  H22  1  0.211874  0.590414  0.515625  1
  H  H23  1  0.512164  0.857662  0.484375  1
  H  H24  1  0.756415  0.346163  0.505208  1
  H  H25  1  0.456124  0.078916  0.536458  1
  H  H26  1  0.700375  0.567417  0.557292  1
  H  H27  1  0.000666  0.834665  0.526042  1
  H  H28  1  0.244917  0.323166  0.546875  1
  H  H29  1  0.944626  0.055919  0.578125  1
  H  H30  1  0.188877  0.544420  0.598958  1
  H  H31  1  0.489167  0.811668  0.567708  1
  H  H32  1  0.733418  0.300170  0.588542  1
  H  H33  1  0.433128  0.032922  0.619792  1
  H  H34  1  0.677378  0.521423  0.640625  1
  H  H35  1  0.977669  0.788671  0.609375  1
  H  H36  1  0.221920  0.277173  0.630208  1
  H  H37  1  0.921629  0.009925  0.661458  1
  H  H38  1  0.165880  0.498427  0.682292  1
  H  H39  1  0.466170  0.765674  0.651042  1
  H  H40  1  0.710421  0.254176  0.671875  1
  H  H41  1  0.410131  0.986928  0.703125  1
  H  H42  1  0.654382  0.475430  0.723958  1
  H  H43  1  0.954672  0.742677  0.692708  1
  H  H44  1  0.198923  0.231179  0.713542  1
