P LATTICE,NONEQUIV.ATOMS 4 200 Pm-3 MODE OF CALC=RELA unit=bohr 10.818682 10.818682 10.818682 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=15 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.25061000 Y=0.00000000 Z=0.50000000 MULT= 6 ISPLIT=15 -2: X=0.74939000 Y=0.00000000 Z=0.50000000 -2: X=0.50000000 Y=0.25061000 Z=0.00000000 -2: X=0.50000000 Y=0.74939000 Z=0.00000000 -2: X=0.00000000 Y=0.50000000 Z=0.25061000 -2: X=0.00000000 Y=0.50000000 Z=0.74939000 Pd NPT= 781 R0=.000010000 RMT= 2.00000 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 -3: X=0.50000000 Y=0.50000000 Z=0.50000000 MULT= 1 ISPLIT=15 Na NPT= 781 R0=.000100000 RMT= 2.00000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.23910000 Y=0.23910000 Z=0.23910000 MULT= 8 ISPLIT=15 -4: X=0.76090000 Y=0.76090000 Z=0.76090000 -4: X=0.76090000 Y=0.76090000 Z=0.23910000 -4: X=0.23910000 Y=0.23910000 Z=0.76090000 -4: X=0.23910000 Y=0.76090000 Z=0.76090000 -4: X=0.76090000 Y=0.23910000 Z=0.23910000 -4: X=0.76090000 Y=0.23910000 Z=0.76090000 -4: X=0.23910000 Y=0.76090000 Z=0.23910000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000