B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.186990 11.186990 24.645808 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
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=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.87500000
I          NPT=  781  R0=.000010000 RMT= 1.78        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12040000 Y=0.03510000 Z=0.20120000
          MULT= 8          ISPLIT= 8
      -3: X=0.87960000 Y=0.96490000 Z=0.79880000
      -3: X=0.21490000 Y=0.87040000 Z=0.95120000
      -3: X=0.28510000 Y=0.62960000 Z=0.54880000
      -3: X=0.87960000 Y=0.46490000 Z=0.20120000
      -3: X=0.12040000 Y=0.53510000 Z=0.79880000
      -3: X=0.28510000 Y=0.12960000 Z=0.45120000
      -3: X=0.21490000 Y=0.37040000 Z=0.04880000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000