../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cl Cs I A2BC_hR4_166_c_a_b a c/a x3 standard 2 6.5693914 1.9038597 0.70585334 6.4824635 2.0189431 0.69632083 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003