P LATTICE,NONEQUIV.ATOMS 4 218 P-43n MODE OF CALC=RELA unit=bohr 27.301629 27.301629 27.301629 90.000000 90.000000 90.000000 ATOM -1: X=0.06674000 Y=0.42265000 Z=0.32006000 MULT=24 ISPLIT= 8 -1: X=0.92265000 Y=0.43326000 Z=0.17994000 -1: X=0.06674000 Y=0.57735000 Z=0.67994000 -1: X=0.32006000 Y=0.06674000 Z=0.42265000 -1: X=0.93326000 Y=0.57735000 Z=0.32006000 -1: X=0.07735000 Y=0.43326000 Z=0.82006000 -1: X=0.56674000 Y=0.17994000 Z=0.07735000 -1: X=0.07735000 Y=0.56674000 Z=0.17994000 -1: X=0.93326000 Y=0.42265000 Z=0.67994000 -1: X=0.67994000 Y=0.93326000 Z=0.42265000 -1: X=0.92265000 Y=0.56674000 Z=0.82006000 -1: X=0.43326000 Y=0.82006000 Z=0.07735000 -1: X=0.32006000 Y=0.93326000 Z=0.57735000 -1: X=0.43326000 Y=0.17994000 Z=0.92265000 -1: X=0.67994000 Y=0.06674000 Z=0.57735000 -1: X=0.56674000 Y=0.82006000 Z=0.92265000 -1: X=0.17994000 Y=0.92265000 Z=0.43326000 -1: X=0.42265000 Y=0.32006000 Z=0.06674000 -1: X=0.82006000 Y=0.07735000 Z=0.43326000 -1: X=0.57735000 Y=0.67994000 Z=0.06674000 -1: X=0.17994000 Y=0.07735000 Z=0.56674000 -1: X=0.57735000 Y=0.32006000 Z=0.93326000 -1: X=0.82006000 Y=0.92265000 Z=0.56674000 -1: X=0.42265000 Y=0.67994000 Z=0.93326000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.07136000 Y=0.07136000 Z=0.07136000 MULT= 8 ISPLIT= 4 -2: X=0.57136000 Y=0.42864000 Z=0.42864000 -2: X=0.07136000 Y=0.92864000 Z=0.92864000 -2: X=0.92864000 Y=0.92864000 Z=0.07136000 -2: X=0.42864000 Y=0.42864000 Z=0.57136000 -2: X=0.42864000 Y=0.57136000 Z=0.42864000 -2: X=0.92864000 Y=0.07136000 Z=0.92864000 -2: X=0.57136000 Y=0.57136000 Z=0.57136000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -3: X=0.06464000 Y=0.14245000 Z=0.33501000 MULT=24 ISPLIT= 8 -3: X=0.64245000 Y=0.43536000 Z=0.16499000 -3: X=0.06464000 Y=0.85755000 Z=0.66499000 -3: X=0.33501000 Y=0.06464000 Z=0.14245000 -3: X=0.93536000 Y=0.85755000 Z=0.33501000 -3: X=0.35755000 Y=0.43536000 Z=0.83501000 -3: X=0.56464000 Y=0.16499000 Z=0.35755000 -3: X=0.35755000 Y=0.56464000 Z=0.16499000 -3: X=0.93536000 Y=0.14245000 Z=0.66499000 -3: X=0.66499000 Y=0.93536000 Z=0.14245000 -3: X=0.64245000 Y=0.56464000 Z=0.83501000 -3: X=0.43536000 Y=0.83501000 Z=0.35755000 -3: X=0.33501000 Y=0.93536000 Z=0.85755000 -3: X=0.43536000 Y=0.16499000 Z=0.64245000 -3: X=0.66499000 Y=0.06464000 Z=0.85755000 -3: X=0.56464000 Y=0.83501000 Z=0.64245000 -3: X=0.16499000 Y=0.64245000 Z=0.43536000 -3: X=0.14245000 Y=0.33501000 Z=0.06464000 -3: X=0.83501000 Y=0.35755000 Z=0.43536000 -3: X=0.85755000 Y=0.66499000 Z=0.06464000 -3: X=0.16499000 Y=0.35755000 Z=0.56464000 -3: X=0.85755000 Y=0.33501000 Z=0.93536000 -3: X=0.83501000 Y=0.64245000 Z=0.56464000 -3: X=0.14245000 Y=0.66499000 Z=0.93536000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.33208000 Y=0.33208000 Z=0.33208000 MULT= 8 ISPLIT= 4 -4: X=0.83208000 Y=0.16792000 Z=0.16792000 -4: X=0.33208000 Y=0.66792000 Z=0.66792000 -4: X=0.66792000 Y=0.66792000 Z=0.33208000 -4: X=0.16792000 Y=0.16792000 Z=0.83208000 -4: X=0.16792000 Y=0.83208000 Z=0.16792000 -4: X=0.66792000 Y=0.33208000 Z=0.66792000 -4: X=0.83208000 Y=0.83208000 Z=0.83208000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503