def METHOD_NAME(atoms, name: str=None, group_dict: dict=None, f: int=0) -> dict:
    """
    Function to organize fitting data for FitSNAP from ASE atoms objects.
    Args: 
        atoms: ASE atoms object for a single configuration of atoms.
        name: Optional name of this configuration.
        group_dict: Optional dictionary containing group information.
        f: Optional index associated with configuration in a group.
    Returns a data dictionary for a single configuration.
    """
    # Transform ASE cell to be appropriate for LAMMPS.
    apre = get_apre(cell=atoms.cell)
    R = np.dot(np.linalg.inv(atoms.cell), apre)
    positions = np.matmul(atoms.get_positions(), R)
    cell = apre.T
    # Make a data dictionary for this config.
    data = {}
    data['Group'] = name # TODO: Make this customizable for ASE groups.
    data['File'] = f"{name}_{f}"
    data['Positions'] = positions
    data['AtomTypes'] = atoms.get_chemical_symbols()
    if (atoms.calc is None):
        # Just calculating descriptors; assign 0.
        data['Energy'] = 0.0
        data['Forces'] = np.zeros((len(atoms), 3))
        data['Stress'] = np.zeros(6)
    else:
        data['Energy'] = atoms.get_total_energy()
        data['Forces'] = atoms.get_forces()
        data['Stress'] = atoms.get_stress(voigt=False)
    data['NumAtoms'] = len(atoms)
    data['QMLattice'] = cell
    data['Lattice'] = cell
    data['Rotation'] = np.array([[1,0,0],[0,1,0],[0,0,1]])
    data['Translation'] = np.zeros((len(atoms), 3))
    # Inject the weights and other group quantities.
    if group_dict is not None:
        data['eweight'] = group_dict["eweight"] if "eweight" in group_dict else 1.0
        data['fweight'] = group_dict["fweight"] if "fweight" in group_dict else 1.0
        data['vweight'] = group_dict["vweight"] if "vweight" in group_dict else 1.0
        data['test_bool'] = group_dict['test_bools'][f]
    else:
        data['eweight'] = 1.0
        data['fweight'] = 1.0
        data['vweight'] = 1.0
        data['test_bool'] = 0
    return dat