CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 8.644174 37.594968 11.238390 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.41610000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.58390000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 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=0.20050000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.79950000 Z=0.75000000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 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 -3: X=0.00000000 Y=0.77490000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.22510000 Z=0.75000000 Br NPT= 781 R0=.000050000 RMT= 2.40 Z: 35.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.06890000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.93110000 Z=0.75000000 Br NPT= 781 R0=.000050000 RMT= 2.40 Z: 35.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000