R LATTICE,NONEQUIV.ATOMS 1 166 R-3m MODE OF CALC=RELA unit=bohr 6.192633 6.192633 4.883052 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 S NPT= 781 R0=.000100000 RMT= 1.95 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000