CXZ LATTICE,NONEQUIV.ATOMS 10 12 B2/m MODE OF CALC=RELA unit=bohr 26.369238 35.326540 6.670733 90.000000 90.000000 70.720000 ATOM -1: X=0.84908000 Y=0.39887000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.15092000 Y=0.60113000 Z=0.00000000 Ta NPT= 781 R0=.000005000 RMT= 2.39 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.76893000 Y=0.09187000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.23107000 Y=0.90813000 Z=0.00000000 Ta NPT= 781 R0=.000005000 RMT= 2.39 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.31191000 Y=0.20792000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.68809000 Y=0.79208000 Z=0.00000000 Pt NPT= 781 R0=.000005000 RMT= 2.46 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.63963000 Y=0.01177000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.36037000 Y=0.98823000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.22 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 -5: X=0.43433000 Y=0.29387000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.56567000 Y=0.70613000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.22 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 -6: X=0.92554000 Y=0.12719000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.07446000 Y=0.87281000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.22 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 -7: X=0.85187000 Y=0.82838000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.14813000 Y=0.17162000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.22 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=0.47684000 Y=0.41909000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.52316000 Y=0.58091000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.22 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=0.79963000 Y=0.55265000 Z=0.00000000 MULT= 2 ISPLIT= 8 -9: X=0.20037000 Y=0.44735000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.22 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 -10: X=0.73542000 Y=0.30378000 Z=0.00000000 MULT= 2 ISPLIT= 8 -10: X=0.26458000 Y=0.69622000 Z=0.00000000 Se NPT= 781 R0=.000050000 RMT= 2.22 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000