# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.57587290
_cell_length_b   6.39216003
_cell_length_c   48.63963159
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.72558867
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   4172.05421228
_cell_formula_units_Z   21
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  0.355832  0.981649  0.321181  1
  H  H2  1  0.697832  0.769648  0.342014  1
  H  H3  1  0.013832  0.193650  0.300347  1
  H  H4  1  0.246165  0.446316  0.324653  1
  H  H5  1  0.562166  0.870318  0.282986  1
  H  H6  1  0.904165  0.658317  0.303819  1
  H  H7  1  0.381832  0.345646  0.383681  1
  H  H8  1  0.723832  0.133645  0.404514  1
  H  H9  1  0.039832  0.557647  0.362847  1
  H  H10  1  0.272165  0.810312  0.387153  1
  H  H11  1  0.588165  0.234315  0.345486  1
  H  H12  1  0.930165  0.022314  0.366319  1
  H  H13  1  0.407832  0.709643  0.446181  1
  H  H14  1  0.749832  0.497642  0.467014  1
  H  H15  1  0.065832  0.921644  0.425347  1
  H  H16  1  0.298165  0.174309  0.449653  1
  H  H17  1  0.614165  0.598311  0.407986  1
  H  H18  1  0.956165  0.386310  0.428819  1
  H  H19  1  0.433831  0.073639  0.508681  1
  H  H20  1  0.775831  0.861638  0.529514  1
  H  H21  1  0.091831  0.285640  0.487847  1
  H  H22  1  0.324165  0.538306  0.512153  1
  H  H23  1  0.640165  0.962308  0.470486  1
  H  H24  1  0.982165  0.750307  0.491319  1
  H  H25  1  0.459831  0.437636  0.571181  1
  H  H26  1  0.801831  0.225635  0.592014  1
  H  H27  1  0.117831  0.649637  0.550347  1
  H  H28  1  0.350164  0.902302  0.574653  1
  H  H29  1  0.666165  0.326305  0.532986  1
  H  H30  1  0.008165  0.114304  0.553819  1
  H  H31  1  0.485831  0.801633  0.633681  1
  H  H32  1  0.827831  0.589631  0.654514  1
  H  H33  1  0.143831  0.013634  0.612847  1
  H  H34  1  0.376164  0.266299  0.637153  1
  H  H35  1  0.692164  0.690301  0.595486  1
  H  H36  1  0.034164  0.478300  0.616319  1
  H  H37  1  0.511831  0.165629  0.696181  1
  H  H38  1  0.853831  0.953628  0.717014  1
  H  H39  1  0.169831  0.377630  0.675347  1
  H  H40  1  0.402164  0.630296  0.699653  1
  H  H41  1  0.718164  0.054298  0.657986  1
  H  H42  1  0.060164  0.842297  0.678819  1
