CXZ LATTICE,NONEQUIV.ATOMS 9 12 B2/m MODE OF CALC=RELA unit=bohr 33.580433 22.404593 8.403612 90.000000 90.000000 71.600000 ATOM -1: X=0.66560000 Y=0.66100000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.33440000 Y=0.33900000 Z=0.00000000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.18660000 Y=0.15600000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.81340000 Y=0.84400000 Z=0.00000000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.99340000 Y=0.37760000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.00660000 Y=0.62240000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 2.46 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.98290000 Y=0.12980000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.01710000 Y=0.87020000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 2.46 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.59100000 Y=0.41090000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.40900000 Y=0.58910000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 2.46 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.40790000 Y=0.01710000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.59210000 Y=0.98290000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 2.46 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.85540000 Y=0.54030000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.14460000 Y=0.45970000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.34 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.83850000 Y=0.11610000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.16150000 Y=0.88390000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.34 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.53410000 Y=0.22230000 Z=0.00000000 MULT= 2 ISPLIT= 8 -9: X=0.46590000 Y=0.77770000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.34 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000