CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 5.034230 16.396776 12.375816 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.00000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 1.77 Z: 32.00000 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=0.74700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.25300000 Z=0.75000000 Mg NPT= 781 R0=.000100000 RMT= 1.82 Z: 12.00000 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=0.08440000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.91560000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.60 Z: 8.00000 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=0.36070000 Z=0.06290000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.63930000 Z=0.93710000 -4: X=0.00000000 Y=0.36070000 Z=0.43710000 -4: X=0.00000000 Y=0.63930000 Z=0.56290000 O NPT= 781 R0=.000100000 RMT= 1.60 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000