P LATTICE,NONEQUIV.ATOMS 7 19 P212121 MODE OF CALC=RELA unit=bohr 12.091791 12.642079 32.687538 90.000000 90.000000 90.000000 ATOM -1: X=0.02119000 Y=0.00342000 Z=0.04319000 MULT= 4 ISPLIT= 8 -1: X=0.47881000 Y=0.99658000 Z=0.54319000 -1: X=0.52119000 Y=0.49658000 Z=0.95681000 -1: X=0.97881000 Y=0.50342000 Z=0.45681000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.28891000 Y=0.47494000 Z=0.23084000 MULT= 4 ISPLIT= 8 -2: X=0.21109000 Y=0.52506000 Z=0.73084000 -2: X=0.78891000 Y=0.02506000 Z=0.76916000 -2: X=0.71109000 Y=0.97494000 Z=0.26916000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 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=0.21890000 Y=0.01031000 Z=0.34791000 MULT= 4 ISPLIT= 8 -3: X=0.28110000 Y=0.98969000 Z=0.84791000 -3: X=0.71890000 Y=0.48969000 Z=0.65209000 -3: X=0.78110000 Y=0.51031000 Z=0.15209000 P NPT= 781 R0=.000100000 RMT= 1.86 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=0.15330000 Y=0.03160000 Z=0.23134000 MULT= 4 ISPLIT= 8 -4: X=0.34670000 Y=0.96840000 Z=0.73134000 -4: X=0.65330000 Y=0.46840000 Z=0.76866000 -4: X=0.84670000 Y=0.53160000 Z=0.26866000 S NPT= 781 R0=.000100000 RMT= 1.96 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=0.39900000 Y=0.25142000 Z=0.37520000 MULT= 4 ISPLIT= 8 -5: X=0.10100000 Y=0.74858000 Z=0.87520000 -5: X=0.89900000 Y=0.24858000 Z=0.62480000 -5: X=0.60100000 Y=0.75142000 Z=0.12480000 S NPT= 781 R0=.000100000 RMT= 1.96 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 -6: X=0.61010000 Y=0.25876000 Z=0.13163000 MULT= 4 ISPLIT= 8 -6: X=0.88990000 Y=0.74124000 Z=0.63163000 -6: X=0.11010000 Y=0.24124000 Z=0.86837000 -6: X=0.38990000 Y=0.75876000 Z=0.36837000 S NPT= 781 R0=.000100000 RMT= 1.96 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 -7: X=0.04720000 Y=0.50390000 Z=0.08806000 MULT= 4 ISPLIT= 8 -7: X=0.45280000 Y=0.49610000 Z=0.58806000 -7: X=0.54720000 Y=0.99610000 Z=0.91194000 -7: X=0.95280000 Y=0.00390000 Z=0.41194000 S NPT= 781 R0=.000100000 RMT= 1.96 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000