R   LATTICE,NONEQUIV.ATOMS   5  155 R32                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.316351  9.316351 47.394334 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Tl         NPT=  781  R0=.000005000 RMT= 2.30        Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26050000 Y=0.26050000 Z=0.26050000
          MULT= 2          ISPLIT= 4
      -3: X=0.73950000 Y=0.73950000 Z=0.73950000
S          NPT=  781  R0=.000100000 RMT= 1.33        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20150000 Y=0.20150000 Z=0.20150000
          MULT= 2          ISPLIT= 4
      -4: X=0.79850000 Y=0.79850000 Z=0.79850000
O          NPT=  781  R0=.000100000 RMT= 1.40        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.43940000 Y=0.72539000 Z=0.99610000
          MULT= 6          ISPLIT= 8
      -5: X=0.72539000 Y=0.99610000 Z=0.43940000
      -5: X=0.56060000 Y=0.00390000 Z=0.27461000
      -5: X=0.99610000 Y=0.43940000 Z=0.72539000
      -5: X=0.00390000 Y=0.27461000 Z=0.56060000
      -5: X=0.27461000 Y=0.56060000 Z=0.00390000
O          NPT=  781  R0=.000100000 RMT= 1.40        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000