P LATTICE,NONEQUIV.ATOMS 9 4 P21 MODE OF CALC=RELA unit=bohr 10.350030 9.939959 19.723072 90.000000 90.000000 92.550000 ATOM -1: X=0.96250000 Y=0.02230000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.03750000 Y=0.97770000 Z=0.50000000 Pb NPT= 781 R0=.000005000 RMT= 2.23 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=0.01700000 Y=0.50910000 Z=0.75000000 MULT= 2 ISPLIT= 8 -2: X=0.98300000 Y=0.49090000 Z=0.25000000 Pb NPT= 781 R0=.000005000 RMT= 2.23 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=0.49890000 Y=0.51360000 Z=0.01430000 MULT= 2 ISPLIT= 8 -3: X=0.50110000 Y=0.48640000 Z=0.51430000 Pb NPT= 781 R0=.000005000 RMT= 2.23 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 -4: X=0.45550000 Y=0.02060000 Z=0.24330000 MULT= 2 ISPLIT= 8 -4: X=0.54450000 Y=0.97940000 Z=0.74330000 Ge NPT= 781 R0=.000050000 RMT= 1.70 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.42500000 Y=0.70000000 Z=0.20900000 MULT= 2 ISPLIT= 8 -5: X=0.57500000 Y=0.30000000 Z=0.70900000 O NPT= 781 R0=.000100000 RMT= 1.54 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=0.47500000 Y=0.07100000 Z=0.40830000 MULT= 2 ISPLIT= 8 -6: X=0.52500000 Y=0.92900000 Z=0.90830000 O NPT= 781 R0=.000100000 RMT= 1.54 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=0.19200000 Y=0.17100000 Z=0.18600000 MULT= 2 ISPLIT= 8 -7: X=0.80800000 Y=0.82900000 Z=0.68600000 O NPT= 781 R0=.000100000 RMT= 1.54 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=0.70400000 Y=0.16400000 Z=0.16500000 MULT= 2 ISPLIT= 8 -8: X=0.29600000 Y=0.83600000 Z=0.66500000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -9: X=0.10000000 Y=0.37700000 Z=0.54300000 MULT= 2 ISPLIT= 8 -9: X=0.90000000 Y=0.62300000 Z=0.04300000 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000