PERIODIC_GRAPH ID sqc859 EDGES 1 1 -1 1 -1 1 2 -2 0 -1 1 2 -1 0 0 1 2 0 0 0 1 2 0 0 1 1 2 0 1 0 1 2 0 2 0 1 3 -1 1 -1 1 3 0 0 0 2 2 -1 -1 -1 2 3 0 0 -1 2 3 1 1 0 END CRYSTAL ID sqc859_maximal GROUP P222 CELL 0.92344 0.92371 1.57693 90.0 90.0 90.0 ATOM 1 10 0.0 0.0 0.28571 2 4 0.5 0.5 0.5 EDGE 0.0 0.0 0.28571 -0.0 0.0 0.71429 0.0 0.0 0.28571 -0.0 1.0 0.71429 0.0 0.0 0.28571 0.5 -0.5 0.5 0.0 0.0 0.28571 1.0 -1.0 0.28571 0.0 0.0 0.28571 1.0 0.0 -0.28571 0.0 0.0 0.28571 -0.0 0.0 -0.28571 END CRYSTAL ID sqc859_relaxed GROUP P222 CELL 0.93123 0.56988 1.86452 90.0 90.0 90.0 ATOM 1 10 0.0 0.0 0.20996 2 4 0.5 0.5 0.5 EDGE 0.0 0.0 0.20996 -0.0 0.0 0.79004 0.0 0.0 0.20996 -0.0 1.0 0.79004 0.0 0.0 0.20996 0.5 -0.5 0.5 0.0 0.0 0.20996 1.0 -1.0 0.20996 0.0 0.0 0.20996 1.0 0.0 -0.20996 0.0 0.0 0.20996 -0.0 0.0 -0.20996 END