CXY LATTICE,NONEQUIV.ATOMS 2 63 Cmcm MODE OF CALC=RELA unit=bohr 6.911862 18.082411 6.183751 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.11062000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.88938000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.39 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.35810000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.64190000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 2.06 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000