P LATTICE,NONEQUIV.ATOMS 4 11 P21/m MODE OF CALC=RELA unit=bohr 18.046885 10.884823 7.483315 90.000000 90.000000 98.970000 ATOM -1: X=0.40530000 Y=0.26400000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.59470000 Y=0.73600000 Z=0.75000000 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 -2: X=0.09930000 Y=0.77640000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.90070000 Y=0.22360000 Z=0.75000000 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=0.10670000 Y=0.27410000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.89330000 Y=0.72590000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.22 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 -4: X=0.66090000 Y=0.05410000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.33910000 Y=0.94590000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.22 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000