P LATTICE,NONEQUIV.ATOMS 6 7 Pb MODE OF CALC=RELA unit=bohr 15.399756 9.102811 9.038560 90.000000 90.000000126.225000 ATOM -1: X=0.52900000 Y=0.48100000 Z=0.17310000 MULT= 2 ISPLIT= 8 -1: X=0.52900000 Y=0.98100000 Z=0.82690000 Hg NPT= 781 R0=.000005000 RMT= 2.28 Z: 80.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.04270000 Y=0.01570000 Z=0.32920000 MULT= 2 ISPLIT= 8 -2: X=0.04270000 Y=0.51570000 Z=0.67080000 S NPT= 781 R0=.000100000 RMT= 1.30 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.62200000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.50000000 Z=0.37800000 O NPT= 781 R0=.000100000 RMT= 1.24 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.03000000 Y=0.28800000 Z=0.25400000 MULT= 2 ISPLIT= 8 -4: X=0.03000000 Y=0.78800000 Z=0.74600000 O NPT= 781 R0=.000100000 RMT= 1.24 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.21000000 Y=0.02100000 Z=0.20000000 MULT= 2 ISPLIT= 8 -5: X=0.21000000 Y=0.52100000 Z=0.80000000 O NPT= 781 R0=.000100000 RMT= 1.24 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.84800000 Y=0.64800000 Z=0.15800000 MULT= 2 ISPLIT= 8 -6: X=0.84800000 Y=0.14800000 Z=0.84200000 O NPT= 781 R0=.000100000 RMT= 1.24 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000