P LATTICE,NONEQUIV.ATOMS 5 11 P21/m MODE OF CALC=RELA unit=bohr 13.349025 7.318909 10.633489 90.000000 90.000000 99.990000 ATOM -1: X=0.41670000 Y=0.14440000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.58330000 Y=0.85560000 Z=0.75000000 Pb NPT= 781 R0=.000005000 RMT= 1.98 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=0.88330000 Y=0.67220000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.11670000 Y=0.32780000 Z=0.75000000 Pb NPT= 781 R0=.000005000 RMT= 1.98 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=0.72780000 Y=0.21310000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.27220000 Y=0.78690000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -4: X=0.11940000 Y=0.24860000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.88060000 Y=0.75140000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.62 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=0.43060000 Y=0.65000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.56940000 Y=0.35000000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000