CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 7.504102 25.911925 16.674943 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.70849000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.29151000 Z=0.75000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 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= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.00000000 Z=0.50000000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.34378000 Z=0.06215000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.65622000 Z=0.93785000 -3: X=0.00000000 Y=0.34378000 Z=0.43785000 -3: X=0.00000000 Y=0.65622000 Z=0.56215000 Cl NPT= 781 R0=.000100000 RMT= 2.41 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.08097000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.91903000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.09 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000