../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Cs I Li
A3B4C_mP16_11_a2e_2ef_e
a b/a c/a beta x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 x7 y7 z7
standard
1
17.5545 0.53230226 0.29626591 98.4928 0.45743075 0.22714992 0.73918557 0.87100239 0.18731799 0.092092217 0.90708465 0.45408229 0.26077177 0.62855013 0.63841968 0.99355906 0.32073264
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003