P LATTICE,NONEQUIV.ATOMS 2 92 P41212 MODE OF CALC=RELA unit=bohr 9.587148 9.587148 16.045665 90.000000 90.000000 90.000000 ATOM -1: X=0.01100000 Y=0.01100000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.48900000 Y=0.51100000 Z=0.25000000 -1: X=0.51100000 Y=0.48900000 Z=0.75000000 -1: X=0.98900000 Y=0.98900000 Z=0.50000000 Sn NPT= 781 R0=.000010000 RMT= 2.10 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.10200000 Y=0.30500000 Z=0.17100000 MULT= 8 ISPLIT= 8 -2: X=0.19500000 Y=0.60200000 Z=0.42100000 -2: X=0.60200000 Y=0.19500000 Z=0.57900000 -2: X=0.89800000 Y=0.69500000 Z=0.67100000 -2: X=0.30500000 Y=0.10200000 Z=0.82900000 -2: X=0.80500000 Y=0.39800000 Z=0.92100000 -2: X=0.39800000 Y=0.80500000 Z=0.07900000 -2: X=0.69500000 Y=0.89800000 Z=0.32900000 F NPT= 781 R0=.000100000 RMT= 1.90 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000