R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.779129 13.779129 13.423480 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ge         NPT=  781  R0=.000050000 RMT= 1.71        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.74100000 Y=0.08599000 Z=0.74100000
          MULT= 6          ISPLIT= 8
      -3: X=0.25900000 Y=0.91401000 Z=0.25900000
      -3: X=0.08599000 Y=0.74100000 Z=0.74100000
      -3: X=0.91401000 Y=0.25900000 Z=0.25900000
      -3: X=0.74100000 Y=0.74100000 Z=0.08599000
      -3: X=0.25900000 Y=0.25900000 Z=0.91401000
F          NPT=  781  R0=.000100000 RMT= 1.63        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000