# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36805266
_cell_length_b   16.47546661
_cell_length_c   46.61498297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H36
_cell_volume   5515.40967876
_cell_formula_units_Z   18
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  0.114035  0.811404  0.275641  1
  H  H2  1  0.271930  0.127193  0.301282  1
  H  H3  1  0.429825  0.442982  0.326923  1
  H  H4  1  0.692982  0.969298  0.288462  1
  H  H5  1  0.850877  0.285088  0.314103  1
  H  H6  1  0.008772  0.600877  0.339744  1
  H  H7  1  0.587719  0.758772  0.352564  1
  H  H8  1  0.745614  0.074561  0.378205  1
  H  H9  1  0.903509  0.390351  0.403846  1
  H  H10  1  0.166667  0.916667  0.365385  1
  H  H11  1  0.324561  0.232456  0.391026  1
  H  H12  1  0.482456  0.548246  0.416667  1
  H  H13  1  0.061404  0.706140  0.429487  1
  H  H14  1  0.219298  0.021930  0.455128  1
  H  H15  1  0.377193  0.337719  0.480769  1
  H  H16  1  0.640351  0.864035  0.442308  1
  H  H17  1  0.798246  0.179825  0.467949  1
  H  H18  1  0.956140  0.495614  0.493590  1
  H  H19  1  0.535088  0.653509  0.506410  1
  H  H20  1  0.692982  0.969298  0.532051  1
  H  H21  1  0.850877  0.285088  0.557692  1
  H  H22  1  0.114035  0.811404  0.519231  1
  H  H23  1  0.271930  0.127193  0.544872  1
  H  H24  1  0.429825  0.442982  0.570513  1
  H  H25  1  0.008772  0.600877  0.583333  1
  H  H26  1  0.166667  0.916667  0.608974  1
  H  H27  1  0.324561  0.232456  0.634615  1
  H  H28  1  0.587719  0.758772  0.596154  1
  H  H29  1  0.745614  0.074561  0.621795  1
  H  H30  1  0.903509  0.390351  0.647436  1
  H  H31  1  0.482456  0.548246  0.660256  1
  H  H32  1  0.640351  0.864035  0.685897  1
  H  H33  1  0.798246  0.179825  0.711538  1
  H  H34  1  0.061404  0.706140  0.673077  1
  H  H35  1  0.219298  0.021930  0.698718  1
  H  H36  1  0.377193  0.337719  0.724359  1
