R LATTICE,NONEQUIV.ATOMS 1 166 R-3m MODE OF CALC=RELA unit=bohr 10.469083 10.469083 43.747157 90.000000 90.000000120.000000 ATOM -1: X=0.07000000 Y=0.07000000 Z=0.07000000 MULT= 2 ISPLIT= 4 -1: X=0.93000000 Y=0.93000000 Z=0.93000000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000