P LATTICE,NONEQUIV.ATOMS 4 11 P21/m MODE OF CALC=RELA unit=bohr 12.414367 8.541562 10.393494 90.000000 90.000000106.297000 ATOM -1: X=0.70800000 Y=0.34700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.29200000 Y=0.65300000 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=0.16900000 Y=0.06300000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.83100000 Y=0.93700000 Z=0.75000000 Se NPT= 781 R0=.000050000 RMT= 1.40 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.09700000 Y=0.72200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.90300000 Y=0.27800000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.26 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=0.27800000 Y=0.15300000 Z=0.02800000 MULT= 4 ISPLIT= 8 -4: X=0.72200000 Y=0.84700000 Z=0.97200000 -4: X=0.72200000 Y=0.84700000 Z=0.52800000 -4: X=0.27800000 Y=0.15300000 Z=0.47200000 O NPT= 781 R0=.000100000 RMT= 1.26 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000