PERIODIC_GRAPH ID sqc3473 EDGES 1 2 0 0 0 1 2 1 0 0 1 3 0 0 0 1 3 0 1 0 1 4 0 0 0 1 4 0 0 1 1 5 0 0 0 1 5 1 0 -1 2 3 -1 0 1 2 3 0 0 0 2 4 -1 -1 1 2 4 -1 0 1 2 5 -1 -1 0 2 5 0 0 -1 3 4 -1 -1 1 3 4 0 0 0 3 5 0 -1 -1 3 5 0 -1 0 4 5 0 0 -1 4 5 1 0 -1 END CRYSTAL ID sqc3473_maximal GROUP I-4 CELL 2.26779 2.26779 1.78429 90.0 90.0 90.0 ATOM 1 8 0.0 0.0 0.0 2 8 0.25 0.15 0.35 EDGE 0.0 0.0 0.0 0.25 0.35 -0.15 0.0 0.0 0.0 0.15 -0.25 -0.35 0.25 0.15 0.35 0.15 -0.25 0.65 0.25 0.15 0.35 0.25 0.35 -0.15 0.25 0.15 0.35 0.35 -0.25 0.15 END CRYSTAL ID sqc3473_relaxed GROUP I-4 CELL 2.26011 2.26011 1.51575 90.0 90.0 90.0 ATOM 1 8 0.0 0.0 0.0 2 8 0.29105 0.11122 0.46629 EDGE 0.0 0.0 0.0 0.20895 0.38878 -0.03371 0.0 0.0 0.0 0.11122 -0.29105 -0.46629 0.29105 0.11122 0.46629 0.11122 -0.29105 0.53371 0.29105 0.11122 0.46629 0.20895 0.38878 -0.03371 0.29105 0.11122 0.46629 0.38878 -0.20895 0.03371 END