fcc with 5.84 lattice const
1.000
10.000 0.0 0.0
0.0 10.0 0.0
0.0 0.0 10.0
  C H
  1 4
Cartesian
0 0 0
0.849156 0.600444 0.0
-0.849156 0.600444 0.0
0.0 -0.600444 0.849156
0.0 -0.600444 -0.849156


