CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm    
MODE OF CALC=RELA unit=bohr
  8.314795 27.098673 21.089344 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.74700000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.25300000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  56.00000
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=0.46500000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.53500000 Z=0.75000000
Ag         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  47.00000
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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
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=0.37500000 Z=0.05100000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.62500000 Z=0.94900000
      -4: X=0.00000000 Y=0.37500000 Z=0.44900000
      -4: X=0.00000000 Y=0.62500000 Z=0.55100000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.06700000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -5: X=0.00000000 Y=0.93300000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000