Returns a symmetrized molecule

        The equivalent atoms obtained via
        :meth:`~pymatgen.symmetry.analyzer.PointGroupAnalyzer.get_equivalent_atoms`
        are rotated, mirrored... unto one position.
        Then the average position is calculated.
        The average position is rotated, mirrored... back with the inverse
        of the previous symmetry operations, which gives the
        symmetrized molecule

        Args:
            None

        Returns:
            dict: The returned dictionary has three possible keys:

            ``sym_mol``:
            A symmetrized molecule instance.

            ``eq_sets``:
            A dictionary of indices mapping to sets of indices,
            each key maps to indices of all equivalent atoms.
            The keys are guaranteed to be not equivalent.

            ``sym_ops``:
            Twofold nested dictionary.
            ``operations[i][j]`` gives the symmetry operation
            that maps atom ``i`` unto ``j``.

def symmetrize_molecule(self):
        """Returns a symmetrized molecule

        The equivalent atoms obtained via
        :meth:`~pymatgen.symmetry.analyzer.PointGroupAnalyzer.get_equivalent_atoms`
        are rotated, mirrored... unto one position.
        Then the average position is calculated.
        The average position is rotated, mirrored... back with the inverse
        of the previous symmetry operations, which gives the
        symmetrized molecule

        Args:
            None

        Returns:
            dict: The returned dictionary has three possible keys:

            ``sym_mol``:
            A symmetrized molecule instance.

            ``eq_sets``:
            A dictionary of indices mapping to sets of indices,
            each key maps to indices of all equivalent atoms.
            The keys are guaranteed to be not equivalent.

            ``sym_ops``:
            Twofold nested dictionary.
            ``operations[i][j]`` gives the symmetry operation
            that maps atom ``i`` unto ``j``.
        """
        eq = self.get_equivalent_atoms()
        eq_sets, ops = eq['eq_sets'], eq['sym_ops']
        coords = self.centered_mol.cart_coords.copy()
        for i, eq_indices in eq_sets.items():
            for j in eq_indices:
                coords[j] = np.dot(ops[j][i], coords[j])
            coords[i] = np.mean(coords[list(eq_indices)], axis=0)
            for j in eq_indices:
                if j == i:
                    continue
                coords[j] = np.dot(ops[i][j], coords[i])
                coords[j] = np.dot(ops[i][j], coords[i])
        molecule = Molecule(species=self.centered_mol.species_and_occu,
                            coords=coords)
        return {'sym_mol': molecule,
                'eq_sets': eq_sets,
                'sym_ops': ops}