../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Li S
A2B_oC12_36_2a_a
a b/a c/a y1 z1 y2 z2 y3 z3
standard
1
3.9622 1.742542 1.7053657 0.001512833 0.66309716 0.66769703 0.41711183 0.33458444 0.54409101
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003