P LATTICE,NONEQUIV.ATOMS 2 59 Pmmn MODE OF CALC=RELA unit=bohr 6.559239 9.208635 6.423179 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.24000000 MULT= 2 ISPLIT= 8 -1: X=0.75000000 Y=0.75000000 Z=0.76000000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 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=0.75000000 Z=0.26000000 MULT= 2 ISPLIT= 8 -2: X=0.75000000 Y=0.25000000 Z=0.74000000 S NPT= 781 R0=.000100000 RMT= 2.05 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000