CXY LATTICE,NONEQUIV.ATOMS 3 67 Cmma MODE OF CALC=RELA unit=bohr 11.470638 11.584021 12.623371 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.62000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.38000000 Ag NPT= 781 R0=.000010000 RMT= 2.23 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=0.25000000 Z=0.29000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.75000000 Z=0.71000000 Cl NPT= 781 R0=.000100000 RMT= 1.50 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.22000000 Y=0.25000000 Z=0.16000000 MULT= 4 ISPLIT= 8 -3: X=0.78000000 Y=0.75000000 Z=0.84000000 -3: X=0.22000000 Y=0.75000000 Z=0.84000000 -3: X=0.78000000 Y=0.25000000 Z=0.16000000 O NPT= 781 R0=.000100000 RMT= 1.50 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000