$cell vectors 1.0 5.62399735367308 0.00000000000000 0.00000000000000 0.00000000000000 5.62399735367308 0.00000000000000 0.00000000000000 0.00000000000000 5.62399735367308 4 8 Direct 0.00000000000000 0.00000000000000 0.00000000000000 # C1 0.50000000000000 0.00000000000000 0.50000000000000 # C2 0.50000000000000 0.50000000000000 0.00000000000000 # C3 0.00000000000000 0.50000000000000 0.50000000000000 # C4 0.11850000000000 0.11850000000000 0.11850000000000 # O1 -0.11850000000000 -0.11850000000000 -0.11850000000000 # O2 0.38150000000000 -0.11850000000000 0.61850000000000 # O3 0.61850000000000 0.11850000000000 0.38150000000000 # O4 0.61850000000000 0.38150000000000 -0.11850000000000 # O5 0.38150000000000 0.61850000000000 0.11850000000000 # O6 -0.11850000000000 0.61850000000000 0.38150000000000 # O7 0.11850000000000 0.38150000000000 0.61850000000000 # O8