# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79703537
_cell_length_b   4.00926213
_cell_length_c   37.42789926
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   49.11413463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   884.544735036
_cell_formula_units_Z   22
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  0.041074  0.568191  0.444421  1
  H  H2  1  0.541074  0.568191  0.444421  1
  H  H3  1  0.188505  0.882102  0.423159  1
  H  H4  1  0.688505  0.882102  0.423159  1
  H  H5  1  0.736835  0.945511  0.485457  1
  H  H6  1  0.236835  0.945511  0.485457  1
  H  H7  1  0.888346  0.256555  0.464909  1
  H  H8  1  0.388346  0.256555  0.464909  1
  H  H9  1  0.433187  0.326272  0.525869  1
  H  H10  1  -0.066813  0.326272  0.525869  1
  H  H11  1  0.585037  0.636204  0.505661  1
  H  H12  1  0.085037  0.636204  0.505661  1
  H  H13  1  0.129736  0.706632  0.566648  1
  H  H14  1  0.629736  0.706632  0.566648  1
  H  H15  1  0.281447  0.016567  0.546296  1
  H  H16  1  0.781447  0.016567  0.546296  1
  H  H17  1  0.826183  0.086565  0.607409  1
  H  H18  1  0.326183  0.086565  0.607409  1
  H  H19  1  -0.022052  0.396604  0.587015  1
  H  H20  1  0.477948  0.396604  0.587015  1
  H  H21  1  0.522630  0.466456  0.648166  1
  H  H22  1  0.022630  0.466456  0.648166  1
  H  H23  1  0.674413  0.776510  0.627784  1
  H  H24  1  0.174413  0.776510  0.627784  1
  H  H25  1  0.219095  0.846361  0.688935  1
  H  H26  1  0.719095  0.846361  0.688935  1
  H  H27  1  0.370860  0.156400  0.668541  1
  H  H28  1  0.870860  0.156400  0.668541  1
  H  H29  1  -0.084404  0.226398  0.729653  1
  H  H30  1  0.415596  0.226398  0.729653  1
  H  H31  1  0.067307  0.536333  0.709302  1
  H  H32  1  0.567307  0.536333  0.709302  1
  H  H33  1  0.612006  0.606762  0.770289  1
  H  H34  1  0.112006  0.606762  0.770289  1
  H  H35  1  0.763856  0.916693  0.750080  1
  H  H36  1  0.263856  0.916693  0.750080  1
  H  H37  1  0.308697  0.986410  0.811040  1
  H  H38  1  0.808697  0.986410  0.811040  1
  H  H39  1  0.460209  0.297454  0.790492  1
  H  H40  1  -0.039791  0.297454  0.790492  1
  H  H41  1  0.008538  0.360863  0.852791  1
  H  H42  1  0.508538  0.360863  0.852791  1
  H  H43  1  0.155969  0.674774  0.831529  1
  H  H44  1  0.655969  0.674774  0.831529  1
