PERIODIC_GRAPH ID sqc7684 EDGES 1 2 0 0 0 1 2 1 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 2 6 0 0 0 2 7 0 0 0 2 8 0 0 0 3 6 0 0 0 3 6 0 1 0 3 9 0 0 0 3 10 0 0 0 4 9 0 0 1 4 11 0 0 0 5 7 0 1 1 5 7 1 0 0 5 10 0 0 0 5 11 0 1 0 6 12 0 0 0 6 13 0 0 0 7 13 0 0 0 7 14 0 0 0 8 12 -1 1 1 8 14 0 0 1 9 15 0 0 0 10 13 0 1 0 10 13 0 1 1 10 15 -1 1 1 11 15 0 0 1 12 16 0 0 0 13 16 -1 0 0 14 16 -1 1 0 END CRYSTAL ID sqc7684_maximal GROUP I-42d CELL 3.36209 3.36209 3.77428 90.0 90.0 90.0 ATOM 1 5 0.1625 0.0375 0.04167 2 3 0.3875 0.0125 0.20833 EDGE 0.1625 0.0375 0.04167 0.0375 -0.1625 -0.04167 0.3875 0.0125 0.20833 0.4875 -0.1125 0.29167 0.1625 0.0375 0.04167 0.4625 -0.1625 -0.20833 0.1625 0.0375 0.04167 0.3875 0.0125 0.20833 END CRYSTAL ID sqc7684_relaxed GROUP I-42d CELL 2.31356 2.31356 2.32365 90.0 90.0 90.0 ATOM 1 5 0.25373 0.00367 0.11951 2 3 0.34829 0.19266 0.12196 EDGE 0.25373 0.00367 0.11951 0.00367 -0.25373 -0.11951 0.34829 0.19266 0.12196 0.30734 -0.15171 0.37804 0.25373 0.00367 0.11951 0.00367 -0.24627 0.36951 0.25373 0.00367 0.11951 0.19266 -0.34829 -0.12196 END