def _get_atoms_spec_and_coords(structure, orbitals):
    """Construct the `ATOMS.SPECIESANDCOORDINATES` parameter dictionary."""
    atoms_spec_and_coords = []
    for site in structure.sites:
        kind_name = site.kind_name
        valence = orbitals[kind_name].z_valence
        atoms_spec_and_coords.append({
            'specie': kind_name,
            'coords': site.position,
            'up_charge': valence / 2,
            'down_charge': valence / 2
        })
    return atoms_spec_and_coords