# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45678800
_cell_length_b   11.40375415
_cell_length_c   49.22797618
_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   H60
_cell_volume   2501.9683052
_cell_formula_units_Z   30
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  0.500000  0.500408  0.344286  1
  H  H2  1  0.500000  0.782829  0.372064  1
  H  H3  1  0.500000  0.217987  0.316509  1
  H  H4  1  0.000000  0.495264  0.294602  1
  H  H5  1  0.000000  0.777685  0.322380  1
  H  H6  1  0.000000  0.060105  0.350158  1
  H  H7  1  0.000000  0.717987  0.316509  1
  H  H8  1  0.000000  0.000408  0.344286  1
  H  H9  1  0.000000  0.282829  0.372064  1
  H  H10  1  0.500000  0.560105  0.350158  1
  H  H11  1  0.500000  0.995264  0.294602  1
  H  H12  1  0.500000  0.277685  0.322380  1
  H  H13  1  0.500000  0.347670  0.427620  1
  H  H14  1  0.500000  0.630090  0.455398  1
  H  H15  1  0.500000  0.065249  0.399842  1
  H  H16  1  0.000000  0.342526  0.377936  1
  H  H17  1  0.000000  0.624946  0.405714  1
  H  H18  1  0.000000  0.907367  0.433491  1
  H  H19  1  0.000000  0.565249  0.399842  1
  H  H20  1  0.000000  0.847670  0.427620  1
  H  H21  1  0.000000  0.130090  0.455398  1
  H  H22  1  0.500000  0.407367  0.433491  1
  H  H23  1  0.500000  0.842526  0.377936  1
  H  H24  1  0.500000  0.124946  0.405714  1
  H  H25  1  0.500000  0.194931  0.510953  1
  H  H26  1  0.500000  0.477352  0.538731  1
  H  H27  1  0.500000  0.912511  0.483175  1
  H  H28  1  0.000000  0.189787  0.461269  1
  H  H29  1  0.000000  0.472208  0.489047  1
  H  H30  1  0.000000  0.754628  0.516825  1
  H  H31  1  0.000000  0.412511  0.483175  1
  H  H32  1  0.000000  0.694931  0.510953  1
  H  H33  1  0.000000  0.977352  0.538731  1
  H  H34  1  0.500000  0.254628  0.516825  1
  H  H35  1  0.500000  0.689787  0.461269  1
  H  H36  1  0.500000  0.972208  0.489047  1
  H  H37  1  0.500000  0.042193  0.594286  1
  H  H38  1  0.500000  0.324613  0.622064  1
  H  H39  1  0.500000  0.759772  0.566509  1
  H  H40  1  0.000000  0.037049  0.544602  1
  H  H41  1  0.000000  0.319470  0.572380  1
  H  H42  1  0.000000  0.601890  0.600158  1
  H  H43  1  0.000000  0.259772  0.566509  1
  H  H44  1  0.000000  0.542193  0.594286  1
  H  H45  1  0.000000  0.824613  0.622064  1
  H  H46  1  0.500000  0.101890  0.600158  1
  H  H47  1  0.500000  0.537049  0.544602  1
  H  H48  1  0.500000  0.819470  0.572380  1
  H  H49  1  0.500000  0.889454  0.677620  1
  H  H50  1  0.500000  0.171875  0.705398  1
  H  H51  1  0.500000  0.607034  0.649842  1
  H  H52  1  0.000000  0.884311  0.627936  1
  H  H53  1  0.000000  0.166731  0.655714  1
  H  H54  1  0.000000  0.449152  0.683491  1
  H  H55  1  0.000000  0.107034  0.649842  1
  H  H56  1  0.000000  0.389454  0.677620  1
  H  H57  1  0.000000  0.671875  0.705398  1
  H  H58  1  0.500000  0.949152  0.683491  1
  H  H59  1  0.500000  0.384311  0.627936  1
  H  H60  1  0.500000  0.666731  0.655714  1
