# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.17523774
_cell_length_b   6.79289925
_cell_length_c   45.17889435
_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   H30
_cell_volume   667.571059658
_cell_formula_units_Z   15
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  0.453156  0.177419  0.343063  1
  H  H2  1  0.953156  0.852276  0.344886  1
  H  H3  1  0.453156  0.526812  0.347576  1
  H  H4  1  0.453156  1.001267  0.386209  1
  H  H5  1  0.953156  0.677882  0.388559  1
  H  H6  1  0.953156  0.326269  0.384107  1
  H  H7  1  0.453156  0.827286  0.429253  1
  H  H8  1  0.453156  0.476417  0.424413  1
  H  H9  1  0.953156  0.151186  0.426861  1
  H  H10  1  0.953156  0.625753  0.465097  1
  H  H11  1  0.453156  0.301454  0.467512  1
  H  H12  1  0.953156  0.977110  0.469999  1
  H  H13  1  0.953156  0.451259  0.508235  1
  H  H14  1  0.453156  0.127094  0.510688  1
  H  H15  1  0.453156  0.775441  0.505802  1
  H  H16  1  0.953156  0.276917  0.551388  1
  H  H17  1  0.953156  0.925264  0.546502  1
  H  H18  1  0.453156  0.601098  0.548955  1
  H  H19  1  0.453156  0.075248  0.587192  1
  H  H20  1  0.953156  0.750904  0.589678  1
  H  H21  1  0.453156  0.426605  0.592094  1
  H  H22  1  0.453156  0.901172  0.630330  1
  H  H23  1  0.953156  0.575941  0.632777  1
  H  H24  1  0.953156  0.225072  0.627937  1
  H  H25  1  0.453156  0.726089  0.673084  1
  H  H26  1  0.453156  0.374475  0.668631  1
  H  H27  1  0.953156  0.051090  0.670981  1
  H  H28  1  0.953156  0.525545  0.709614  1
  H  H29  1  0.453156  0.200082  0.712305  1
  H  H30  1  0.953156  0.874939  0.714128  1
