../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Na O AB3_oI8_44_a_ac a b/a c/a z1 z2 x3 z3 standard 1 5.3795 0.66035877 1.091923 0.49492984 0.98934946 0.788907 0.11776535 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003