PERIODIC_GRAPH ID sqc7717 EDGES 1 2 0 0 0 1 2 1 0 0 1 3 0 0 0 1 4 0 0 0 2 3 0 0 1 2 4 0 1 0 3 5 0 0 0 3 6 0 0 0 4 7 0 0 0 4 8 0 0 0 5 9 0 0 0 5 10 0 0 0 5 11 0 0 0 6 9 1 0 0 6 10 1 0 0 6 11 1 0 0 7 12 0 0 0 7 13 0 0 0 7 14 0 0 0 8 12 1 0 0 8 13 1 0 0 8 14 1 0 0 9 10 0 0 0 9 15 0 0 0 10 11 0 0 0 11 16 0 0 0 12 13 0 0 0 12 15 0 -1 1 13 14 0 0 0 14 16 0 0 0 15 16 0 1 0 15 16 1 1 0 END CRYSTAL ID sqc7717_maximal GROUP Imma CELL 2.81812 5.63488 6.76848 90.0 90.0 90.0 ATOM 1 4 0.0 0.25 0.33333 2 4 0.0 0.0 0.5 3 4 0.875 0.0 0.0 4 4 0.0 0.5625 0.04545 5 4 0.0 0.0 0.0 6 4 0.0 0.75 0.18182 EDGE 0.0 0.25 0.33333 0.5 0.25 0.16667 0.0 0.0 0.5 0.375 0.0 0.5 0.0 0.0 0.5 0.0 0.25 0.33333 0.0 0.0 0.0 0.125 -0.0 0.0 0.875 0.0 0.0 1.0 0.0625 -0.04545 0.0 0.5625 0.04545 0.0 0.75 0.18182 0.0 0.0 0.0 0.0 0.0625 -0.04545 0.0 0.75 0.18182 0.5 0.75 0.31818 END CRYSTAL ID sqc7717_relaxed GROUP Imma CELL 2.52331 3.0478 3.18377 90.0 90.0 90.0 ATOM 1 4 0.0 0.25 0.25175 2 4 0.0 0.0 0.5 3 4 0.8082 0.0 0.0 4 4 0.0 0.10467 0.30498 5 4 0.0 0.0 0.0 6 4 0.0 0.75 0.24991 EDGE 0.0 0.25 0.25175 0.5 0.25 0.24825 0.0 0.0 0.5 0.3082 0.0 0.5 0.0 0.0 0.5 0.0 0.25 0.25175 0.0 0.0 0.0 0.1918 -0.0 0.0 0.8082 0.0 0.0 1.0 0.10467 0.30498 0.0 0.10467 0.30498 0.0 -0.25 0.24991 0.0 0.0 0.0 0.0 0.10467 0.30498 0.0 0.75 0.24991 0.5 0.75 0.25009 END