PERIODIC_GRAPH ID sqc8492 EDGES 1 2 0 0 0 1 2 0 0 1 1 2 0 1 0 1 2 1 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 6 0 0 0 1 7 0 0 0 1 8 0 0 0 1 9 0 0 0 1 10 0 0 0 2 11 0 0 0 2 12 0 0 0 2 13 0 0 0 2 14 0 0 0 2 15 0 0 0 2 16 0 0 0 2 17 0 0 0 2 18 0 0 0 3 10 0 -1 0 3 15 0 0 0 4 9 1 0 -1 4 16 0 0 0 5 8 -1 0 0 5 11 0 1 0 6 7 0 1 -1 6 12 0 1 0 7 17 1 0 0 8 18 1 0 0 9 13 0 0 1 10 14 0 0 1 11 18 0 -1 0 12 17 1 0 -1 13 16 -1 0 0 14 15 0 1 -1 END CRYSTAL ID sqc8492_maximal GROUP I-42d CELL 3.38731 3.38731 3.61451 90.0 90.0 90.0 ATOM 1 12 0.0 0.0 0.0 2 3 0.16667 0.3 0.33333 3 3 0.16667 0.3 0.0 EDGE 0.0 0.0 0.0 0.0 0.5 0.25 0.0 0.0 0.0 0.16667 0.2 0.25 0.0 0.0 0.0 0.16667 0.2 -0.08333 0.16667 0.3 0.0 0.16667 0.2 -0.08333 0.16667 0.3 0.0 0.33333 0.2 -0.16667 END CRYSTAL ID sqc8492_relaxed GROUP I-42d CELL 1.77428 1.77428 2.51008 90.0 90.0 90.0 ATOM 1 12 0.0 0.0 0.0 2 3 0.10761 0.22647 0.29758 3 3 0.46772 0.02703 0.11567 EDGE 0.0 0.0 0.0 0.0 0.5 0.25 0.0 0.0 0.0 0.02703 0.53228 -0.11567 0.0 0.0 0.0 0.27353 -0.39239 0.20242 0.10761 0.22647 0.29758 -0.03228 -0.02703 0.63433 0.10761 0.22647 0.29758 0.53228 -0.02703 0.11567 END