CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 13.356584 27.903696 12.029997 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.59090000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.40910000 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=0.20890000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.79110000 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 -3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.00000000 Z=0.50000000 Pd NPT= 781 R0=.000010000 RMT= 2.40 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.33060000 Y=0.39840000 Z=0.25000000 MULT= 4 ISPLIT= 8 -4: X=0.66940000 Y=0.60160000 Z=0.75000000 -4: X=0.66940000 Y=0.39840000 Z=0.25000000 -4: X=0.33060000 Y=0.60160000 Z=0.75000000 As NPT= 781 R0=.000050000 RMT= 2.25 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000