CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.802560 18.884033 17.585791 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.52050000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.47950000 Z=0.75000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.29770000 Y=0.29950000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.70230000 Y=0.70050000 Z=0.75000000
      -2: X=0.70230000 Y=0.29950000 Z=0.25000000
      -2: X=0.29770000 Y=0.70050000 Z=0.75000000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
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=0.28940000 Z=0.01790000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.71060000 Z=0.98210000
      -3: X=0.00000000 Y=0.28940000 Z=0.48210000
      -3: X=0.00000000 Y=0.71060000 Z=0.51790000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.21090000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.78910000 Y=0.00000000 Z=0.00000000
      -4: X=0.21090000 Y=0.00000000 Z=0.50000000
      -4: X=0.78910000 Y=0.00000000 Z=0.50000000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.08530000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.91470000 Z=0.75000000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000