$cell vectors 1.0 3.3959984020401435 0.0000000000000000 0.0000000000000000 -1.6979992010200717 2.9410208873781261 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.0919976040013033 1 1 1 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Au1 0.0000000000000000 0.0000000000000000 0.4040000000000003 # C1 0.0000000000000000 0.0000000000000000 0.6419999999999999 # N1