../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C H N
A2BC3_oC24_36_b_a_ab
a b/a c/a y1 z1 y2 z2 x3 y3 z3 x4 y4 z4
standard
1
7.6812 0.58813727 0.5279774 0.60470909 0.79582739 0.71851742 0.5747238 0.32882664 0.6598455 0.0020244099 0.30071484 0.63413989 0.64469999
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003