R LATTICE,NONEQUIV.ATOMS 3 155 R32 MODE OF CALC=RELA unit=bohr 18.657268 18.657268 6.389159 90.000000 90.000000120.000000 ATOM -1: X=0.49950000 Y=0.50050000 Z=0.00000000 MULT= 3 ISPLIT= 8 -1: X=0.50050000 Y=0.00000000 Z=0.49950000 -1: X=0.00000000 Y=0.49950000 Z=0.50050000 Ag NPT= 781 R0=.000010000 RMT= 2.15 Z: 47.00000 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=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 B NPT= 781 R0=.000100000 RMT= 1.18 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.13800000 Y=0.86200000 Z=0.00000000 MULT= 3 ISPLIT= 8 -3: X=0.86200000 Y=0.00000000 Z=0.13800000 -3: X=0.00000000 Y=0.13800000 Z=0.86200000 O NPT= 781 R0=.000100000 RMT= 1.38 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000