CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 6.468533 23.122689 14.256094 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.34000000 Z=0.56000000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.66000000 Z=0.44000000 -1: X=0.00000000 Y=0.34000000 Z=0.94000000 -1: X=0.00000000 Y=0.66000000 Z=0.06000000 Pt NPT= 781 R0=.000005000 RMT= 2.45 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.47000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.53000000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.45 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.75000000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.22 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 -4: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.00000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.22 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000