$cell vectors 1.0 3.9091981605581103 0.0000000000000000 0.0000000000000000 0.0000000000000000 3.8712981783916436 0.0000000000000000 -0.0511698229299495 0.0000000000000000 3.9088632500680052 1 1 3 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Na1 0.4999999999999992 0.4999999999999994 0.5000000000000007 # Nb1 0.4999999999999992 0.0000000000000000 0.5000000000000007 # O1 0.0000000000000000 0.4999999999999994 0.5000000000000007 # O2 0.4999999999999992 0.4999999999999994 0.0000000000000000 # O3