CXZ LATTICE,NONEQUIV.ATOMS 7 15 B2/b MODE OF CALC=RELA unit=bohr 25.975420 17.828999 10.393872 90.000000 90.000000 76.900000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.23000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.77000000 Pb NPT= 781 R0=.000005000 RMT= 2.44 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.68390000 Y=0.36260000 Z=0.21700000 MULT= 4 ISPLIT= 8 -2: X=0.31610000 Y=0.63740000 Z=0.78300000 -2: X=0.31610000 Y=0.13740000 Z=0.21700000 -2: X=0.68390000 Y=0.86260000 Z=0.78300000 Pb NPT= 781 R0=.000005000 RMT= 2.44 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.60210000 Y=0.06360000 Z=0.23200000 MULT= 4 ISPLIT= 8 -3: X=0.39790000 Y=0.93640000 Z=0.76800000 -3: X=0.39790000 Y=0.43640000 Z=0.23200000 -3: X=0.60210000 Y=0.56360000 Z=0.76800000 P NPT= 781 R0=.000100000 RMT= 1.26 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.49170000 Y=0.06900000 Z=0.25500000 MULT= 4 ISPLIT= 8 -4: X=0.50830000 Y=0.93100000 Z=0.74500000 -4: X=0.50830000 Y=0.43100000 Z=0.25500000 -4: X=0.49170000 Y=0.56900000 Z=0.74500000 O NPT= 781 R0=.000100000 RMT= 1.40 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 -5: X=0.64510000 Y=0.11800000 Z=0.47700000 MULT= 4 ISPLIT= 8 -5: X=0.35490000 Y=0.88200000 Z=0.52300000 -5: X=0.35490000 Y=0.38200000 Z=0.47700000 -5: X=0.64510000 Y=0.61800000 Z=0.52300000 O NPT= 781 R0=.000100000 RMT= 1.40 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=0.63580000 Y=0.12900000 Z=0.02600000 MULT= 4 ISPLIT= 8 -6: X=0.36420000 Y=0.87100000 Z=0.97400000 -6: X=0.36420000 Y=0.37100000 Z=0.02600000 -6: X=0.63580000 Y=0.62900000 Z=0.97400000 O NPT= 781 R0=.000100000 RMT= 1.40 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=0.85250000 Y=0.11600000 Z=0.26200000 MULT= 4 ISPLIT= 8 -7: X=0.14750000 Y=0.88400000 Z=0.73800000 -7: X=0.14750000 Y=0.38400000 Z=0.26200000 -7: X=0.85250000 Y=0.61600000 Z=0.73800000 O NPT= 781 R0=.000100000 RMT= 1.40 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000