P LATTICE,NONEQUIV.ATOMS 12 55 Pbam MODE OF CALC=RELA unit=bohr 25.076666 44.351872 9.240761 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.18840000 Y=0.49180000 Z=0.50000000 MULT= 4 ISPLIT= 8 -2: X=0.81160000 Y=0.50820000 Z=0.50000000 -2: X=0.31160000 Y=0.99180000 Z=0.50000000 -2: X=0.68840000 Y=0.00820000 Z=0.50000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.37990000 Y=0.30800000 Z=0.50000000 MULT= 4 ISPLIT= 8 -3: X=0.62010000 Y=0.69200000 Z=0.50000000 -3: X=0.12010000 Y=0.80800000 Z=0.50000000 -3: X=0.87990000 Y=0.19200000 Z=0.50000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.04300000 Y=0.35330000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.95700000 Y=0.64670000 Z=0.00000000 -4: X=0.45700000 Y=0.85330000 Z=0.00000000 -4: X=0.54300000 Y=0.14670000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.18840000 Y=0.16860000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.81160000 Y=0.83140000 Z=0.00000000 -5: X=0.31160000 Y=0.66860000 Z=0.00000000 -5: X=0.68840000 Y=0.33140000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 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=0.50000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.50000000 Y=0.00000000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.36570000 Y=0.13650000 Z=0.50000000 MULT= 4 ISPLIT= 8 -7: X=0.63430000 Y=0.86350000 Z=0.50000000 -7: X=0.13430000 Y=0.63650000 Z=0.50000000 -7: X=0.86570000 Y=0.36350000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.06330000 Y=0.08990000 Z=0.50000000 MULT= 4 ISPLIT= 8 -8: X=0.93670000 Y=0.91010000 Z=0.50000000 -8: X=0.43670000 Y=0.58990000 Z=0.50000000 -8: X=0.56330000 Y=0.41010000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.12590000 Y=0.26360000 Z=0.50000000 MULT= 4 ISPLIT= 8 -9: X=0.87410000 Y=0.73640000 Z=0.50000000 -9: X=0.37410000 Y=0.76360000 Z=0.50000000 -9: X=0.62590000 Y=0.23640000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.29090000 Y=0.39780000 Z=0.00000000 MULT= 4 ISPLIT= 8 -10: X=0.70910000 Y=0.60220000 Z=0.00000000 -10: X=0.20910000 Y=0.89780000 Z=0.00000000 -10: X=0.79090000 Y=0.10220000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.22750000 Y=0.04600000 Z=0.00000000 MULT= 4 ISPLIT= 8 -11: X=0.77250000 Y=0.95400000 Z=0.00000000 -11: X=0.27250000 Y=0.54600000 Z=0.00000000 -11: X=0.72750000 Y=0.45400000 Z=0.00000000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.38680000 Y=0.24050000 Z=0.00000000 MULT= 4 ISPLIT= 8 -12: X=0.61320000 Y=0.75950000 Z=0.00000000 -12: X=0.11320000 Y=0.74050000 Z=0.00000000 -12: X=0.88680000 Y=0.25950000 Z=0.00000000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000