R LATTICE,NONEQUIV.ATOMS 3 161 R3c MODE OF CALC=RELA unit=bohr 20.885255 20.885255 16.474064 90.000000 90.000000120.000000 ATOM -1: X=0.51900000 Y=0.71299000 Z=0.06300000 MULT= 6 ISPLIT= 8 -1: X=0.71299000 Y=0.06300000 Z=0.51900000 -1: X=0.01900000 Y=0.56300000 Z=0.21299000 -1: X=0.06300000 Y=0.51900000 Z=0.71299000 -1: X=0.56300000 Y=0.21299000 Z=0.01900000 -1: X=0.21299000 Y=0.01900000 Z=0.56300000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 Sb NPT= 781 R0=.000010000 RMT= 2.42 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.21000000 Y=0.24000000 Z=0.89500000 MULT= 6 ISPLIT= 8 -3: X=0.24000000 Y=0.89500000 Z=0.21000000 -3: X=0.71000000 Y=0.39500000 Z=0.74000000 -3: X=0.89500000 Y=0.21000000 Z=0.24000000 -3: X=0.39500000 Y=0.74000000 Z=0.71000000 -3: X=0.74000000 Y=0.71000000 Z=0.39500000 S NPT= 781 R0=.000100000 RMT= 1.98 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000