CXZ LATTICE,NONEQUIV.ATOMS 8 15 B2/b MODE OF CALC=RELA unit=bohr 27.423706 16.712738 12.332353 90.000000 90.000000 81.650000 ATOM -1: X=0.68452000 Y=0.33025000 Z=0.10365000 MULT= 4 ISPLIT=15 -1: X=0.31548000 Y=0.66975000 Z=0.89635000 -1: X=0.31548000 Y=0.16975000 Z=0.10365000 -1: X=0.68452000 Y=0.83025000 Z=0.89635000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.25000000 Z=0.06850000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.75000000 Z=0.93150000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.25000000 Z=0.52690000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.75000000 Z=0.47310000 Cl NPT= 781 R0=.000100000 RMT= 2.00000 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.84170000 Y=0.02640000 Z=0.05590000 MULT= 4 ISPLIT=15 -4: X=0.15830000 Y=0.97360000 Z=0.94410000 -4: X=0.15830000 Y=0.47360000 Z=0.05590000 -4: X=0.84170000 Y=0.52640000 Z=0.94410000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.92150000 Y=0.53300000 Z=0.12060000 MULT= 4 ISPLIT=15 -5: X=0.07850000 Y=0.46700000 Z=0.87940000 -5: X=0.07850000 Y=0.96700000 Z=0.12060000 -5: X=0.92150000 Y=0.03300000 Z=0.87940000 O NPT= 781 R0=.000100000 RMT= 2.00000 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=0.74100000 Y=0.58090000 Z=0.05420000 MULT= 4 ISPLIT=15 -6: X=0.25900000 Y=0.41910000 Z=0.94580000 -6: X=0.25900000 Y=0.91910000 Z=0.05420000 -6: X=0.74100000 Y=0.08090000 Z=0.94580000 O NPT= 781 R0=.000100000 RMT= 2.00000 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 -7: X=0.85510000 Y=0.14610000 Z=0.23510000 MULT= 4 ISPLIT=15 -7: X=0.14490000 Y=0.85390000 Z=0.76490000 -7: X=0.14490000 Y=0.35390000 Z=0.23510000 -7: X=0.85510000 Y=0.64610000 Z=0.76490000 O NPT= 781 R0=.000100000 RMT= 2.00000 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 -8: X=0.65460000 Y=0.15150000 Z=0.38100000 MULT= 4 ISPLIT=15 -8: X=0.34540000 Y=0.84850000 Z=0.61900000 -8: X=0.34540000 Y=0.34850000 Z=0.38100000 -8: X=0.65460000 Y=0.65150000 Z=0.61900000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000