PERIODIC_GRAPH ID sqc3496 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 5 0 0 0 2 4 0 0 0 2 6 0 0 0 2 7 0 0 0 2 7 0 0 1 3 5 0 -1 0 3 7 0 -1 0 3 7 1 0 1 3 8 0 0 0 4 5 -1 -1 0 4 6 1 0 1 5 8 1 1 1 6 7 0 0 0 6 8 -1 0 0 7 8 0 1 0 END CRYSTAL ID sqc3496_maximal GROUP I-4m2 CELL 2.41338 2.41338 3.38705 90.0 90.0 90.0 ATOM 1 4 0.18182 0.18182 0.0 2 6 0.0 0.27273 0.6 EDGE 0.18182 0.18182 0.0 0.18182 -0.18182 0.0 0.0 0.27273 0.6 0.22727 0.5 0.9 0.18182 0.18182 0.0 0.22727 0.5 -0.1 0.0 0.27273 0.6 0.27273 -0.0 0.4 END CRYSTAL ID sqc3496_relaxed GROUP I-4m2 CELL 2.86232 2.86232 0.76474 90.0 90.0 90.0 ATOM 1 4 0.1705 0.1705 0.0 2 6 0.24662 0.0 0.33755 EDGE 0.1705 0.1705 0.0 0.1705 -0.1705 0.0 0.24662 0.0 0.33755 0.5 0.25338 0.16245 0.1705 0.1705 0.0 0.25338 0.5 -0.16245 0.24662 0.0 0.33755 0.0 0.24662 0.66245 END