# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77379256
_cell_length_b   7.49462100
_cell_length_c   51.31850709
_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   H72
_cell_volume   1451.4487748
_cell_formula_units_Z   36
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  1.000168  0.084281  0.245610  1
  H  H2  1  1.002775  0.333400  0.272502  1
  H  H3  1  0.927579  0.584281  0.245610  1
  H  H4  1  0.924972  0.833400  0.272502  1
  H  H5  1  0.502775  0.081534  0.272502  1
  H  H6  1  0.500168  0.330654  0.245610  1
  H  H7  1  0.424972  0.581534  0.272502  1
  H  H8  1  0.427579  0.830654  0.245610  1
  H  H9  1  1.005322  0.083023  0.297411  1
  H  H10  1  1.006465  0.332993  0.322317  1
  H  H11  1  0.922425  0.583023  0.297411  1
  H  H12  1  0.921282  0.832993  0.322317  1
  H  H13  1  0.506465  0.081941  0.322317  1
  H  H14  1  0.505322  0.331912  0.297411  1
  H  H15  1  0.421282  0.581941  0.322317  1
  H  H16  1  0.422425  0.831912  0.297411  1
  H  H17  1  1.007330  0.082694  0.347199  1
  H  H18  1  1.007645  0.332749  0.372151  1
  H  H19  1  0.920417  0.582694  0.347199  1
  H  H20  1  0.920102  0.832749  0.372151  1
  H  H21  1  0.507645  0.082185  0.372151  1
  H  H22  1  0.507330  0.332240  0.347199  1
  H  H23  1  0.420102  0.582185  0.372151  1
  H  H24  1  0.420417  0.832240  0.347199  1
  H  H25  1  1.007943  0.082519  0.397097  1
  H  H26  1  1.008038  0.332618  0.422043  1
  H  H27  1  0.919804  0.582519  0.397097  1
  H  H28  1  0.919709  0.832618  0.422043  1
  H  H29  1  0.508038  0.082316  0.422043  1
  H  H30  1  0.507943  0.332415  0.397097  1
  H  H31  1  0.419709  0.582316  0.422043  1
  H  H32  1  0.419804  0.832415  0.397097  1
  H  H33  1  1.008114  0.082411  0.446985  1
  H  H34  1  1.008114  0.332523  0.471928  1
  H  H35  1  0.919633  0.582411  0.446985  1
  H  H36  1  0.919633  0.832523  0.471928  1
  H  H37  1  0.508114  0.082411  0.471928  1
  H  H38  1  0.508114  0.332523  0.446985  1
  H  H39  1  0.419633  0.582411  0.471928  1
  H  H40  1  0.419633  0.832523  0.446985  1
  H  H41  1  1.008038  0.082316  0.496870  1
  H  H42  1  1.007943  0.332415  0.521815  1
  H  H43  1  0.919709  0.582316  0.496870  1
  H  H44  1  0.919804  0.832415  0.521815  1
  H  H45  1  0.507943  0.082519  0.521815  1
  H  H46  1  0.508038  0.332618  0.496870  1
  H  H47  1  0.419804  0.582519  0.521815  1
  H  H48  1  0.419709  0.832618  0.496870  1
  H  H49  1  1.007645  0.082185  0.546762  1
  H  H50  1  1.007330  0.332240  0.571713  1
  H  H51  1  0.920102  0.582185  0.546762  1
  H  H52  1  0.920417  0.832240  0.571713  1
  H  H53  1  0.507330  0.082694  0.571713  1
  H  H54  1  0.507645  0.332749  0.546762  1
  H  H55  1  0.420417  0.582694  0.571713  1
  H  H56  1  0.420102  0.832749  0.546762  1
  H  H57  1  1.006465  0.081941  0.596595  1
  H  H58  1  1.005322  0.331912  0.621502  1
  H  H59  1  0.921282  0.581941  0.596595  1
  H  H60  1  0.922425  0.831912  0.621502  1
  H  H61  1  0.505322  0.083023  0.621502  1
  H  H62  1  0.506465  0.332993  0.596595  1
  H  H63  1  0.422425  0.583023  0.621502  1
  H  H64  1  0.421282  0.832993  0.596595  1
  H  H65  1  1.002775  0.081534  0.646410  1
  H  H66  1  1.000168  0.330654  0.673302  1
  H  H67  1  0.924972  0.581534  0.646410  1
  H  H68  1  0.927579  0.830654  0.673302  1
  H  H69  1  0.500168  0.084281  0.673302  1
  H  H70  1  0.502775  0.333400  0.646410  1
  H  H71  1  0.427579  0.584281  0.673302  1
  H  H72  1  0.424972  0.833400  0.646410  1
