R LATTICE,NONEQUIV.ATOMS 2 167 R-3c MODE OF CALC=RELA unit=bohr 12.715211 12.715211 34.333297 90.000000 90.000000120.000000 ATOM -1: X=0.15056000 Y=0.15056000 Z=0.15056000 MULT= 4 ISPLIT=15 -1: X=0.84944000 Y=0.84944000 Z=0.84944000 -1: X=0.65056000 Y=0.65056000 Z=0.65056000 -1: X=0.34944000 Y=0.34944000 Z=0.34944000 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=0.55560000 Y=0.94440000 Z=0.25000000 MULT= 6 ISPLIT=15 -2: X=0.44440000 Y=0.05560000 Z=0.75000000 -2: X=0.94440000 Y=0.25000000 Z=0.55560000 -2: X=0.05560000 Y=0.75000000 Z=0.44440000 -2: X=0.25000000 Y=0.55560000 Z=0.94440000 -2: X=0.75000000 Y=0.44440000 Z=0.05560000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000