R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.777237 13.777237 48.460702 90.000000 90.000000120.000000                   
ATOM  -1: X=0.70253000 Y=0.26460000 Z=0.70253000
          MULT= 6          ISPLIT= 8
      -1: X=0.29747000 Y=0.73540000 Z=0.29747000
      -1: X=0.26460000 Y=0.70253000 Z=0.70253000
      -1: X=0.73540000 Y=0.29747000 Z=0.29747000
      -1: X=0.70253000 Y=0.70253000 Z=0.26460000
      -1: X=0.29747000 Y=0.29747000 Z=0.73540000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
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=0.00000000 Z=0.00000000
          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  -4: X=0.21722000 Y=0.21722000 Z=0.21722000
          MULT= 2          ISPLIT= 4
      -4: X=0.78278000 Y=0.78278000 Z=0.78278000
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