P LATTICE,NONEQUIV.ATOMS 2 113 P-421m MODE OF CALC=RELA unit=bohr 6.260663 6.260663 8.972420 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=0.00000000 C NPT= 781 R0=.000100000 RMT= 1.34 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.15442000 Y=0.65442000 Z=0.16080000 MULT= 4 ISPLIT= 8 -2: X=0.65442000 Y=0.84558000 Z=0.83920000 -2: X=0.84558000 Y=0.34558000 Z=0.16080000 -2: X=0.34558000 Y=0.15442000 Z=0.83920000 N NPT= 781 R0=.000100000 RMT= 1.36 Z: 7.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000