$cell vectors 1.0 6.4179969800629122 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.3659946518222270 0.0000000000000000 0.0000000000000000 0.0000000000000000 6.3839969960613354 4 16 Direct 0.0000000000000000 0.2500000000000001 0.2499999999999998 # Pt1 0.5000000000000004 0.7500000000000001 0.2499999999999998 # Pt2 0.0000000000000000 0.7500000000000001 0.7500000000000001 # Pt3 0.5000000000000004 0.2500000000000001 0.7500000000000001 # Pt4 0.3338999999999998 0.1233000000000002 0.0840000000000000 # Sn1 0.8339000000000003 0.6233000000000004 0.0840000000000000 # Sn2 0.6661000000000002 0.8767000000000000 0.9159999999999998 # Sn3 0.1660999999999999 0.3767000000000003 0.9159999999999998 # Sn4 0.6661000000000002 0.3766999999999998 0.0840000000000000 # Sn5 0.1660999999999999 0.8767000000000000 0.0840000000000000 # Sn6 0.3338999999999998 0.6233000000000004 0.9159999999999998 # Sn7 0.8339000000000003 0.1233000000000002 0.9159999999999998 # Sn8 0.3338999999999998 0.3766999999999998 0.4159999999999995 # Sn9 0.8339000000000003 0.8767000000000000 0.4159999999999995 # Sn10 0.6661000000000002 0.6233000000000004 0.5839999999999995 # Sn11 0.1660999999999999 0.1233000000000002 0.5839999999999995 # Sn12 0.6661000000000002 0.1233000000000002 0.4159999999999995 # Sn13 0.1660999999999999 0.6233000000000004 0.4159999999999995 # Sn14 0.3338999999999998 0.8767000000000000 0.5839999999999995 # Sn15 0.8339000000000003 0.3766999999999998 0.5839999999999995 # Sn16