CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.837245 25.883579 12.302117 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.08960000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.91040000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 1.90        Z:  51.00000              
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=0.42980000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.57020000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.36        Z:  19.00000              
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=0.75210000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.24790000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.36        Z:  19.00000              
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=0.23020000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.76980000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.23340000 Y=0.11870000 Z=0.03410000
          MULT= 8          ISPLIT= 8
      -5: X=0.76660000 Y=0.88130000 Z=0.96590000
      -5: X=0.23340000 Y=0.11870000 Z=0.46590000
      -5: X=0.76660000 Y=0.88130000 Z=0.53410000
      -5: X=0.76660000 Y=0.11870000 Z=0.03410000
      -5: X=0.23340000 Y=0.88130000 Z=0.96590000
      -5: X=0.76660000 Y=0.11870000 Z=0.46590000
      -5: X=0.23340000 Y=0.88130000 Z=0.53410000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000