CXY LATTICE,NONEQUIV.ATOMS 3 63 Cmcm MODE OF CALC=RELA unit=bohr 17.370741 14.021390 10.393872 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.26858000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.73142000 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 -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.00000000 Z=0.50000000 Zn NPT= 781 R0=.000050000 RMT= 2.33 Z: 30.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.32521000 Y=0.14055000 Z=0.25000000 MULT= 4 ISPLIT= 8 -3: X=0.67479000 Y=0.85945000 Z=0.75000000 -3: X=0.67479000 Y=0.14055000 Z=0.25000000 -3: X=0.32521000 Y=0.85945000 Z=0.75000000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000