CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.512924 18.653676 27.066547 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.16327000 Z=0.42115000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.83673000 Z=0.57885000
      -1: X=0.00000000 Y=0.66327000 Z=0.07885000
      -1: X=0.00000000 Y=0.33673000 Z=0.92115000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.32850000 Z=0.18228000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.67150000 Z=0.81772000
      -2: X=0.00000000 Y=0.82850000 Z=0.31772000
      -2: X=0.00000000 Y=0.17150000 Z=0.68228000
Ge         NPT=  781  R0=.000050000 RMT= 1.68        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.13995000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.86005000
      -3: X=0.00000000 Y=0.50000000 Z=0.36005000
      -3: X=0.00000000 Y=0.50000000 Z=0.63995000
Ge         NPT=  781  R0=.000050000 RMT= 1.68        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.25910000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.00000000 Z=0.74090000
      -4: X=0.00000000 Y=0.50000000 Z=0.24090000
      -4: X=0.00000000 Y=0.50000000 Z=0.75910000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
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=0.16900000 Z=0.10040000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.83100000 Z=0.89960000
      -5: X=0.00000000 Y=0.66900000 Z=0.39960000
      -5: X=0.00000000 Y=0.33100000 Z=0.60040000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.75000000 Y=0.75000000 Z=0.75000000
      -6: X=0.25000000 Y=0.75000000 Z=0.25000000
      -6: X=0.75000000 Y=0.25000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.23990000 Y=0.40110000 Z=0.09340000
          MULT= 8          ISPLIT= 8
      -7: X=0.76010000 Y=0.59890000 Z=0.90660000
      -7: X=0.23990000 Y=0.90110000 Z=0.40660000
      -7: X=0.76010000 Y=0.09890000 Z=0.59340000
      -7: X=0.76010000 Y=0.40110000 Z=0.09340000
      -7: X=0.23990000 Y=0.59890000 Z=0.90660000
      -7: X=0.76010000 Y=0.90110000 Z=0.40660000
      -7: X=0.23990000 Y=0.09890000 Z=0.59340000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000