2) with elemental lists only, and 3) with an explicit chemical formula. For the input with no chemical information, the input key was simply "The XRD is ... Generate atomic structure description with lattice lengths, angles, coordinates, and atom types." Similarly, for the second and third cases, the inputs were "The chemical elements are ... The XRD is ... Generate atomic structure description with lattice lengths, angles, coordinates, and atom types." and "The chemical formula is ... The XRD is ... Generate atomic structure description with lattice lengths, angles, coordinates, and atom types," respectively. Finally, the output key was a string of lattice lengths, angles, and chemical coordinates along with three fractional coordinates in XYZ format. Two decimal precision was used for lattice parameters and three decimal precision for coordinates.