ATOMIC_SPECIES
C 12.011 C.pz-vbc.UPF

LATTICE_CONSTANT
6.74

LATTICE_VECTORS
-0.5 0.0 0.5
 0.0 0.5 0.5
-0.5 0.5 0.0

ATOMIC_POSITIONS
Direct
C	
0.0
2
 0.875  0.875  0.875 0 0 0
 0.125  0.125  0.125 0 0 0
