# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27843132
_cell_length_b   12.22105037
_cell_length_c   48.61928793
_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   H66
_cell_volume   1353.79551108
_cell_formula_units_Z   33
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  0.506280  0.349256  0.296896  1
  H  H2  1  1.006280  0.702522  0.284066  1
  H  H3  1  0.506280  0.056531  0.271248  1
  H  H4  1  0.506280  0.531560  0.286380  1
  H  H5  1  1.006280  0.884606  0.273415  1
  H  H6  1  1.006280  0.180506  0.300153  1
  H  H7  1  1.006280  0.294378  0.337772  1
  H  H8  1  0.506280  0.645774  0.324469  1
  H  H9  1  1.006280  0.997377  0.311638  1
  H  H10  1  1.006280  0.475889  0.326748  1
  H  H11  1  0.506280  0.828081  0.313715  1
  H  H12  1  0.506280  0.124161  0.340079  1
  H  H13  1  0.506280  0.237465  0.377704  1
  H  H14  1  1.006280  0.589338  0.364361  1
  H  H15  1  0.506280  0.941535  0.351301  1
  H  H16  1  0.506280  0.419752  0.366661  1
  H  H17  1  1.006280  0.771577  0.353412  1
  H  H18  1  1.006280  0.067616  0.380031  1
  H  H19  1  1.006280  0.180968  0.417735  1
  H  H20  1  0.506280  0.533007  0.404398  1
  H  H21  1  1.006280  0.885058  0.391174  1
  H  H22  1  1.006280  0.363242  0.406652  1
  H  H23  1  0.506280  0.715222  0.393356  1
  H  H24  1  0.506280  0.011105  0.420020  1
  H  H25  1  0.506280  0.124494  0.457747  1
  H  H26  1  1.006280  0.476573  0.444412  1
  H  H27  1  0.506280  0.828668  0.431125  1
  H  H28  1  0.506280  0.306810  0.446668  1
  H  H29  1  1.006280  0.658876  0.433354  1
  H  H30  1  1.006280  0.954659  0.460010  1
  H  H31  1  1.006280  0.068054  0.497750  1
  H  H32  1  0.506280  0.420143  0.484422  1
  H  H33  1  1.006280  0.772272  0.471103  1
  H  H34  1  1.006280  0.250368  0.486677  1
  H  H35  1  0.506280  0.602457  0.473350  1
  H  H36  1  0.506280  0.898239  0.499997  1
  H  H37  1  0.506280  0.011635  0.537746  1
  H  H38  1  1.006280  0.363700  0.524432  1
  H  H39  1  0.506280  0.715852  0.511090  1
  H  H40  1  0.506280  0.193938  0.526688  1
  H  H41  1  1.006280  0.546017  0.513353  1
  H  H42  1  1.006280  0.841843  0.539975  1
  H  H43  1  1.006280  0.955289  0.577743  1
  H  H44  1  0.506280  0.307268  0.564448  1
  H  H45  1  1.006280  0.659405  0.551080  1
  H  H46  1  1.006280  0.137504  0.566702  1
  H  H47  1  0.506280  0.489543  0.553365  1
  H  H48  1  0.506280  0.785452  0.579926  1
  H  H49  1  0.506280  0.898934  0.617688  1
  H  H50  1  1.006280  0.250759  0.604439  1
  H  H51  1  0.506280  0.602894  0.591069  1
  H  H52  1  0.506280  0.081173  0.606739  1
  H  H53  1  1.006280  0.433045  0.593396  1
  H  H54  1  1.006280  0.728976  0.619799  1
  H  H55  1  1.006280  0.842429  0.657385  1
  H  H56  1  0.506280  0.194622  0.644352  1
  H  H57  1  1.006280  0.546350  0.631021  1
  H  H58  1  1.006280  0.024737  0.646631  1
  H  H59  1  0.506280  0.376133  0.633328  1
  H  H60  1  0.506280  0.673133  0.659462  1
  H  H61  1  0.506280  0.785905  0.697685  1
  H  H62  1  1.006280  0.138951  0.684720  1
  H  H63  1  0.506280  0.490005  0.670947  1
  H  H64  1  0.506280  0.967988  0.687034  1
  H  H65  1  1.006280  0.321254  0.674204  1
  H  H66  1  1.006280  0.613980  0.699852  1
