P LATTICE,NONEQUIV.ATOMS 2 118 P-4n2 MODE OF CALC=RELA unit=bohr 12.464634 12.464634 9.759869 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 Zn NPT= 781 R0=.000050000 RMT= 2.50000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.16000000 Y=0.34000000 Z=0.25000000 MULT= 4 ISPLIT= 8 -2: X=0.34000000 Y=0.84000000 Z=0.75000000 -2: X=0.84000000 Y=0.66000000 Z=0.25000000 -2: X=0.66000000 Y=0.16000000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000