PERIODIC_GRAPH ID sqc837 EDGES 1 1 -1 0 0 1 2 0 0 0 1 3 0 0 0 1 3 0 1 0 1 3 0 2 0 2 2 -1 0 0 2 4 -2 2 0 2 4 -1 1 0 2 4 0 0 0 3 3 -1 2 0 3 4 0 0 1 4 4 -1 2 0 END CRYSTAL ID sqc837_maximal GROUP P4222 CELL 0.84932 0.84932 3.39727 90.0 90.0 90.0 ATOM 1 6 0.0 0.0 0.0625 EDGE 0.0 0.0 0.0625 0.0 0.0 -0.0625 0.0 0.0 0.0625 0.0 0.0 0.4375 0.0 0.0 0.0625 1.0 0.0 -0.0625 0.0 0.0 0.0625 1.0 1.0 0.0625 END CRYSTAL ID sqc837_relaxed GROUP P4222 CELL 0.69088 0.69088 3.72405 90.0 90.0 90.0 ATOM 1 6 0.0 0.0 0.11353 EDGE 0.0 0.0 0.11353 0.0 0.0 -0.11353 0.0 0.0 0.11353 0.0 0.0 0.38647 0.0 0.0 0.11353 1.0 0.0 -0.11353 0.0 0.0 0.11353 1.0 1.0 0.11353 END