R LATTICE,NONEQUIV.ATOMS 10 166 R-3m MODE OF CALC=RELA unit=bohr 8.091241 8.091241205.416443 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.31431000 Y=0.31431000 Z=0.31431000 MULT= 2 ISPLIT= 4 -2: X=0.68569000 Y=0.68569000 Z=0.68569000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.36746000 Y=0.36746000 Z=0.36746000 MULT= 2 ISPLIT= 4 -3: X=0.63254000 Y=0.63254000 Z=0.63254000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.05560000 Y=0.05560000 Z=0.05560000 MULT= 2 ISPLIT= 4 -4: X=0.94440000 Y=0.94440000 Z=0.94440000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.26402000 Y=0.26402000 Z=0.26402000 MULT= 2 ISPLIT= 4 -5: X=0.73598000 Y=0.73598000 Z=0.73598000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.42315000 Y=0.42315000 Z=0.42315000 MULT= 2 ISPLIT= 4 -6: X=0.57685000 Y=0.57685000 Z=0.57685000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.10426000 Y=0.10426000 Z=0.10426000 MULT= 2 ISPLIT= 4 -7: X=0.89574000 Y=0.89574000 Z=0.89574000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.20825000 Y=0.20825000 Z=0.20825000 MULT= 2 ISPLIT= 4 -8: X=0.79175000 Y=0.79175000 Z=0.79175000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.47219000 Y=0.47219000 Z=0.47219000 MULT= 2 ISPLIT= 4 -9: X=0.52781000 Y=0.52781000 Z=0.52781000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.15972000 Y=0.15972000 Z=0.15972000 MULT= 2 ISPLIT= 4 -10: X=0.84028000 Y=0.84028000 Z=0.84028000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000