P LATTICE,NONEQUIV.ATOMS 1 2 P-1 MODE OF CALC=RELA unit=bohr 5.247958 5.248147 8.465217 89.993000 89.992000 60.001000 ATOM -1: X=0.16666000 Y=0.16666000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.83334000 Y=0.83334000 Z=0.75000000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000