CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 10.588136 23.139697 10.295228 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.38120000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.61880000 Z=0.75000000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 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=0.07950000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.92050000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.09 Z: 51.00000 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=0.74580000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.25420000 Z=0.75000000 Cl NPT= 781 R0=.000100000 RMT= 2.50000 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.21830000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.78170000 Y=0.00000000 Z=0.00000000 -4: X=0.21830000 Y=0.00000000 Z=0.50000000 -4: X=0.78170000 Y=0.00000000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.80 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000