P LATTICE,NONEQUIV.ATOMS 2 11 P21/m MODE OF CALC=RELA unit=bohr 10.299007 6.974979 7.592920 90.000000 90.000000100.870000 ATOM -1: X=0.22900000 Y=0.12900000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.77100000 Y=0.87100000 Z=0.75000000 Ag NPT= 781 R0=.000010000 RMT= 2.33 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.68000000 Y=0.30500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.32000000 Y=0.69500000 Z=0.75000000 Br NPT= 781 R0=.000050000 RMT= 2.22 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000