CXY LATTICE,NONEQUIV.ATOMS   3   63 Cmcm    
MODE OF CALC=RELA unit=bohr
  8.178735 26.476953 18.906710 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.74380000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.25620000 Z=0.75000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.07890000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.92110000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.35570000 Z=0.06610000
          MULT= 4          ISPLIT=15
      -3: X=0.00000000 Y=0.64430000 Z=0.93390000
      -3: X=0.00000000 Y=0.35570000 Z=0.43390000
      -3: X=0.00000000 Y=0.64430000 Z=0.56610000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000