P LATTICE,NONEQUIV.ATOMS 3 59 Pmmn MODE OF CALC=RELA unit=bohr 9.165172 11.319460 9.902165 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.75000000 Z=0.16700000 MULT= 2 ISPLIT= 8 -1: X=0.75000000 Y=0.25000000 Z=0.83300000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 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=0.25000000 Y=0.00000000 Z=0.66700000 MULT= 4 ISPLIT= 8 -2: X=0.75000000 Y=0.00000000 Z=0.33300000 -2: X=0.75000000 Y=0.50000000 Z=0.33300000 -2: X=0.25000000 Y=0.50000000 Z=0.66700000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.25000000 Y=0.25000000 Z=0.16700000 MULT= 2 ISPLIT= 8 -3: X=0.75000000 Y=0.75000000 Z=0.83300000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000