CXY LATTICE,NONEQUIV.ATOMS   4   63 Cmcm    
MODE OF CALC=RELA unit=bohr
  7.114819 22.929937 17.340127 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.74769000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.25231000 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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  21.00000
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=0.07980000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.92020000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.35890000 Z=0.06000000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.64110000 Z=0.94000000
      -4: X=0.00000000 Y=0.35890000 Z=0.44000000
      -4: X=0.00000000 Y=0.64110000 Z=0.56000000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000