B   LATTICE,NONEQUIV.ATOMS   6   46 Ima2                                       
MODE OF CALC=RELA unit=bohr                                                    
 31.579591 11.519015 11.262957 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10940000 Y=0.51460000 Z=0.00230000
          MULT= 4          ISPLIT= 8
      -1: X=0.89060000 Y=0.48540000 Z=0.00230000
      -1: X=0.89060000 Y=0.01460000 Z=0.50230000
      -1: X=0.10940000 Y=0.98540000 Z=0.50230000
Ba         NPT=  781  R0=.000010000 RMT= 2.39        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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 1.90        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.06430000 Z=0.01470000
          MULT= 2          ISPLIT= 8
      -3: X=0.75000000 Y=0.93570000 Z=0.01470000
In         NPT=  781  R0=.000010000 RMT= 1.90        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00960000 Y=0.31210000 Z=0.25090000
          MULT= 4          ISPLIT= 8
      -4: X=0.99040000 Y=0.68790000 Z=0.25090000
      -4: X=0.99040000 Y=0.81210000 Z=0.75090000
      -4: X=0.00960000 Y=0.18790000 Z=0.75090000
O          NPT=  781  R0=.000100000 RMT= 1.63        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=0.64230000 Y=0.04040000 Z=0.03200000
          MULT= 4          ISPLIT= 8
      -5: X=0.35770000 Y=0.95960000 Z=0.03200000
      -5: X=0.35770000 Y=0.54040000 Z=0.53200000
      -5: X=0.64230000 Y=0.45960000 Z=0.53200000
O          NPT=  781  R0=.000100000 RMT= 1.63        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  -6: X=0.25000000 Y=0.37600000 Z=0.12450000
          MULT= 2          ISPLIT= 8
      -6: X=0.75000000 Y=0.62400000 Z=0.12450000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000