P LATTICE,NONEQUIV.ATOMS 2 114 P-421c MODE OF CALC=RELA unit=bohr 9.665949 9.665949 10.563569 90.000000 90.000000 90.000000 ATOM -1: X=0.23000000 Y=0.35800000 Z=0.15500000 MULT= 8 ISPLIT= 8 -1: X=0.35800000 Y=0.77000000 Z=0.84500000 -1: X=0.73000000 Y=0.14200000 Z=0.34500000 -1: X=0.77000000 Y=0.64200000 Z=0.15500000 -1: X=0.14200000 Y=0.27000000 Z=0.65500000 -1: X=0.64200000 Y=0.23000000 Z=0.84500000 -1: X=0.27000000 Y=0.85800000 Z=0.34500000 -1: X=0.85800000 Y=0.73000000 Z=0.65500000 Pd NPT= 781 R0=.000010000 RMT= 2.42 Z: 46.00000 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=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 1.98 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000