R LATTICE,NONEQUIV.ATOMS 4 167 R-3c MODE OF CALC=RELA unit=bohr 18.192394 18.192394 23.812437 90.000000 90.000000120.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 4 -1: X=0.75000000 Y=0.75000000 Z=0.75000000 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=0.58954000 Y=0.91046000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.41046000 Y=0.08954000 Z=0.75000000 -2: X=0.91046000 Y=0.25000000 Z=0.58954000 -2: X=0.08954000 Y=0.75000000 Z=0.41046000 -2: X=0.25000000 Y=0.58954000 Z=0.91046000 -2: X=0.75000000 Y=0.41046000 Z=0.08954000 Hg NPT= 781 R0=.000005000 RMT= 2.13 Z: 80.00000 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=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -3: X=0.50000000 Y=0.50000000 Z=0.50000000 Sb NPT= 781 R0=.000010000 RMT= 2.02 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 -4: X=0.28660000 Y=0.98670000 Z=0.00570000 MULT=12 ISPLIT= 8 -4: X=0.71340000 Y=0.01330000 Z=0.99430000 -4: X=0.98670000 Y=0.00570000 Z=0.28660000 -4: X=0.01330000 Y=0.99430000 Z=0.71340000 -4: X=0.78660000 Y=0.50570000 Z=0.48670000 -4: X=0.21340000 Y=0.49430000 Z=0.51330000 -4: X=0.00570000 Y=0.28660000 Z=0.98670000 -4: X=0.99430000 Y=0.71340000 Z=0.01330000 -4: X=0.50570000 Y=0.48670000 Z=0.78660000 -4: X=0.49430000 Y=0.51330000 Z=0.21340000 -4: X=0.48670000 Y=0.78660000 Z=0.50570000 -4: X=0.51330000 Y=0.21340000 Z=0.49430000 O NPT= 781 R0=.000100000 RMT= 1.73 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000