P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 21.939720 7.558905 8.295898 90.000000 90.000000 90.000000 ATOM -1: X=0.12000000 Y=0.25000000 Z=0.12500000 MULT= 4 ISPLIT= 8 -1: X=0.88000000 Y=0.75000000 Z=0.87500000 -1: X=0.62000000 Y=0.25000000 Z=0.37500000 -1: X=0.38000000 Y=0.75000000 Z=0.62500000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.35000000 Y=0.25000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.65000000 Y=0.75000000 Z=0.00000000 -2: X=0.85000000 Y=0.25000000 Z=0.50000000 -2: X=0.15000000 Y=0.75000000 Z=0.50000000 Se NPT= 781 R0=.000050000 RMT= 2.33 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000