# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.64991416
_cell_length_b   11.64991416
_cell_length_c   46.79341905
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H40
_cell_volume   6222.51348364
_cell_formula_units_Z   20
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  0.958333  0.958333  0.295455  1
  H  H2  1  0.458333  0.458333  0.295455  1
  H  H3  1  0.375000  0.875000  0.340909  1
  H  H4  1  0.875000  0.375000  0.340909  1
  H  H5  1  0.208333  0.208333  0.295455  1
  H  H6  1  0.708333  0.708333  0.295455  1
  H  H7  1  0.625000  0.125000  0.340909  1
  H  H8  1  0.125000  0.625000  0.340909  1
  H  H9  1  0.791667  0.791667  0.386364  1
  H  H10  1  0.291667  0.291667  0.386364  1
  H  H11  1  0.208333  0.708333  0.431818  1
  H  H12  1  0.708333  0.208333  0.431818  1
  H  H13  1  0.041667  0.041667  0.386364  1
  H  H14  1  0.541667  0.541667  0.386364  1
  H  H15  1  0.458333  0.958333  0.431818  1
  H  H16  1  0.958333  0.458333  0.431818  1
  H  H17  1  0.625000  0.625000  0.477273  1
  H  H18  1  0.125000  0.125000  0.477273  1
  H  H19  1  0.041667  0.541667  0.522727  1
  H  H20  1  0.541667  0.041667  0.522727  1
  H  H21  1  0.875000  0.875000  0.477273  1
  H  H22  1  0.375000  0.375000  0.477273  1
  H  H23  1  0.291667  0.791667  0.522727  1
  H  H24  1  0.791667  0.291667  0.522727  1
  H  H25  1  0.458333  0.458333  0.568182  1
  H  H26  1  0.958333  0.958333  0.568182  1
  H  H27  1  0.875000  0.375000  0.613636  1
  H  H28  1  0.375000  0.875000  0.613636  1
  H  H29  1  0.708333  0.708333  0.568182  1
  H  H30  1  0.208333  0.208333  0.568182  1
  H  H31  1  0.125000  0.625000  0.613636  1
  H  H32  1  0.625000  0.125000  0.613636  1
  H  H33  1  0.291667  0.291667  0.659091  1
  H  H34  1  0.791667  0.791667  0.659091  1
  H  H35  1  0.708333  0.208333  0.704545  1
  H  H36  1  0.208333  0.708333  0.704545  1
  H  H37  1  0.541667  0.541667  0.659091  1
  H  H38  1  0.041667  0.041667  0.659091  1
  H  H39  1  0.958333  0.458333  0.704545  1
  H  H40  1  0.458333  0.958333  0.704545  1
