P LATTICE,NONEQUIV.ATOMS 2 129 P4/nmm MODE OF CALC=RELA unit=bohr 7.148456 7.148456 11.570982 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.24610000 MULT= 2 ISPLIT=-2 -1: X=0.75000000 Y=0.75000000 Z=0.75390000 Tl NPT= 781 R0=.000005000 RMT= 2.45 Z: 81.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.25000000 Y=0.25000000 Z=0.64260000 MULT= 2 ISPLIT=-2 -2: X=0.75000000 Y=0.75000000 Z=0.35740000 F NPT= 781 R0=.000100000 RMT= 2.11 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000