# a fcc lattice, one conventional cell dummy title 0 1 C 0.0 0.0 0.0 C 0.0 3.0 0.0 C 3.0 0.0 0.0 C 3.0 3.0 0.0 C 0.0 0.0 3.0 C 0.0 3.0 3.0 C 3.0 0.0 3.0 C 3.0 3.0 3.0 O 1.5 1.5 0.0 O 1.5 0.0 1.5 O 0.0 1.5 1.5 O 3.0 1.5 1.5 O 1.5 3.0 1.5 O 1.5 1.5 3.0