# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36805266
_cell_length_b   11.64991416
_cell_length_c   48.62666667
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   3959.78130754
_cell_formula_units_Z   12
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  0.708333  0.541667  0.294643  1
  H  H2  1  0.930556  0.986111  0.330357  1
  H  H3  1  0.319444  0.763889  0.312500  1
  H  H4  1  0.541667  0.208333  0.348214  1
  H  H5  1  0.152778  0.430556  0.366071  1
  H  H6  1  0.375000  0.875000  0.401786  1
  H  H7  1  0.763889  0.652778  0.383929  1
  H  H8  1  0.986111  0.097222  0.419643  1
  H  H9  1  0.597222  0.319444  0.437500  1
  H  H10  1  0.819444  0.763889  0.473214  1
  H  H11  1  0.208333  0.541667  0.455357  1
  H  H12  1  0.430556  0.986111  0.491071  1
  H  H13  1  0.041667  0.208333  0.508929  1
  H  H14  1  0.263889  0.652778  0.544643  1
  H  H15  1  0.652778  0.430556  0.526786  1
  H  H16  1  0.875000  0.875000  0.562500  1
  H  H17  1  0.486111  0.097222  0.580357  1
  H  H18  1  0.708333  0.541667  0.616071  1
  H  H19  1  0.097222  0.319444  0.598214  1
  H  H20  1  0.319444  0.763889  0.633929  1
  H  H21  1  0.930556  0.986111  0.651786  1
  H  H22  1  0.152778  0.430556  0.687500  1
  H  H23  1  0.541667  0.208333  0.669643  1
  H  H24  1  0.763889  0.652778  0.705357  1
