R LATTICE,NONEQUIV.ATOMS 6 166 R-3m MODE OF CALC=RELA unit=bohr 8.071399 8.071399120.745376 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=0.36623000 Y=0.36623000 Z=0.36623000 MULT= 2 ISPLIT= 4 -2: X=0.63377000 Y=0.63377000 Z=0.63377000 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=0.27493000 Y=0.27493000 Z=0.27493000 MULT= 2 ISPLIT= 4 -3: X=0.72507000 Y=0.72507000 Z=0.72507000 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=0.09430000 Y=0.09430000 Z=0.09430000 MULT= 2 ISPLIT= 4 -4: X=0.90570000 Y=0.90570000 Z=0.90570000 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=0.45179000 Y=0.45179000 Z=0.45179000 MULT= 2 ISPLIT= 4 -5: X=0.54821000 Y=0.54821000 Z=0.54821000 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=0.17876000 Y=0.17876000 Z=0.17876000 MULT= 2 ISPLIT= 4 -6: X=0.82124000 Y=0.82124000 Z=0.82124000 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