P LATTICE,NONEQUIV.ATOMS 8 11 P21/m MODE OF CALC=RELA unit=bohr 15.185839 13.545557 10.905610 90.000000 90.000000102.400000 ATOM -1: X=0.87330000 Y=0.58040000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.12670000 Y=0.41960000 Z=0.75000000 Pb NPT= 781 R0=.000005000 RMT= 2.26 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=0.91400000 Y=0.10560000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.08600000 Y=0.89440000 Z=0.75000000 Pb NPT= 781 R0=.000005000 RMT= 2.26 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=0.34580000 Y=0.72620000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.65420000 Y=0.27380000 Z=0.75000000 Pb NPT= 781 R0=.000005000 RMT= 2.26 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=0.36170000 Y=0.20840000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.63830000 Y=0.79160000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.34 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.33400000 Y=0.08400000 Z=0.04300000 MULT= 4 ISPLIT= 8 -5: X=0.66600000 Y=0.91600000 Z=0.95700000 -5: X=0.66600000 Y=0.91600000 Z=0.54300000 -5: X=0.33400000 Y=0.08400000 Z=0.45700000 O NPT= 781 R0=.000100000 RMT= 1.41 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=0.53100000 Y=0.33600000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.46900000 Y=0.66400000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.41 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=0.21800000 Y=0.31800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.78200000 Y=0.68200000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.41 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=0.12000000 Y=0.67700000 Z=0.00200000 MULT= 4 ISPLIT= 8 -8: X=0.88000000 Y=0.32300000 Z=0.99800000 -8: X=0.88000000 Y=0.32300000 Z=0.50200000 -8: X=0.12000000 Y=0.67700000 Z=0.49800000 O NPT= 781 R0=.000100000 RMT= 1.41 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000