../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
B O
A2B_mC12_12_2i_i
a b/a c/a beta x1 z1 x2 z2 x3 z3
standard
1
4.2467 0.63738903 2.6558975 113.6745 0.34131793 0.023772988 0.42296288 0.41593818 0.69608855 0.36258224
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003