CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm    
MODE OF CALC=RELA unit=bohr
 19.261978 15.505203 19.604019 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.01810000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.98190000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  49.00000
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=0.63190000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.36810000 Z=0.75000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.20630000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.79370000 Y=0.00000000 Z=0.00000000
      -3: X=0.20630000 Y=0.00000000 Z=0.50000000
      -3: X=0.79370000 Y=0.00000000 Z=0.50000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
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=0.30900000 Z=0.05210000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.69100000 Z=0.94790000
      -4: X=0.00000000 Y=0.30900000 Z=0.44790000
      -4: X=0.00000000 Y=0.69100000 Z=0.55210000
In         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  49.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.20790000 Y=0.28440000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -5: X=0.79210000 Y=0.71560000 Z=0.75000000
      -5: X=0.79210000 Y=0.28440000 Z=0.25000000
      -5: X=0.20790000 Y=0.71560000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  49.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000