CXY LATTICE,NONEQUIV.ATOMS 3 63 Cmcm MODE OF CALC=RELA unit=bohr 8.570664 20.405263 14.936395 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.06033000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.93967000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.78015000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.21985000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.34803000 Z=0.05480000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.65197000 Z=0.94520000 -3: X=0.00000000 Y=0.34803000 Z=0.44520000 -3: X=0.00000000 Y=0.65197000 Z=0.55480000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000