$cell vectors 1.0 4.1199980613679008 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.1199980613679008 0.0000000000000000 0.0000000000000000 0.0000000000000000 10.4749950710749467 2 6 2 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Pd1 0.5000000000000000 0.5000000000000000 0.5000000000000000 # Pd2 0.0000000000000000 0.5000000000000000 0.2519999999999998 # Si1 0.0000000000000000 0.0000000000000000 0.3910000000000001 # Si2 0.5000000000000000 0.0000000000000000 0.7519999999999999 # Si3 0.5000000000000000 0.0000000000000000 0.2519999999999998 # Si4 0.0000000000000000 0.5000000000000000 0.7519999999999999 # Si5 0.5000000000000000 0.5000000000000000 0.8909999999999999 # Si6 0.0000000000000000 0.0000000000000000 0.6260000000000000 # Li1 0.5000000000000000 0.5000000000000000 0.1259999999999999 # Li2