B LATTICE,NONEQUIV.ATOMS 7 74 Imma MODE OF CALC=RELA unit=bohr 13.730750 19.167492 14.365887 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.50000000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 2.41 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.25000000 Y=0.25000000 Z=0.75000000 MULT= 2 ISPLIT= 8 -2: X=0.25000000 Y=0.75000000 Z=0.25000000 Ag NPT= 781 R0=.000010000 RMT= 2.41 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.50000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.50000000 Z=0.50000000 Te NPT= 781 R0=.000010000 RMT= 1.84 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.25000000 Y=0.75000000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 1.84 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.25000000 Z=0.15800000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.75000000 Z=0.84200000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.00000000 Y=0.58860000 Z=0.29100000 MULT= 4 ISPLIT= 8 -6: X=0.00000000 Y=0.41140000 Z=0.70900000 -6: X=0.00000000 Y=0.08860000 Z=0.70900000 -6: X=0.00000000 Y=0.91140000 Z=0.29100000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -7: X=0.29750000 Y=0.12120000 Z=0.07340000 MULT= 8 ISPLIT= 8 -7: X=0.70250000 Y=0.87880000 Z=0.92660000 -7: X=0.29750000 Y=0.62120000 Z=0.92660000 -7: X=0.70250000 Y=0.37880000 Z=0.07340000 -7: X=0.70250000 Y=0.12120000 Z=0.07340000 -7: X=0.29750000 Y=0.87880000 Z=0.92660000 -7: X=0.70250000 Y=0.62120000 Z=0.92660000 -7: X=0.29750000 Y=0.37880000 Z=0.07340000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000