B   LATTICE,NONEQUIV.ATOMS   7   74 Imma    
MODE OF CALC=RELA unit=bohr
 15.410717 21.382251 15.483093 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.25000000 Y=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT=15
      -2: X=0.25000000 Y=0.75000000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.25000000 Y=0.75000000 Z=0.75000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.16290000
          MULT= 2          ISPLIT=15
      -5: X=0.00000000 Y=0.75000000 Z=0.83710000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00000000 Y=0.59010000 Z=0.28410000
          MULT= 4          ISPLIT=15
      -6: X=0.00000000 Y=0.40990000 Z=0.71590000
      -6: X=0.00000000 Y=0.09010000 Z=0.71590000
      -6: X=0.00000000 Y=0.90990000 Z=0.28410000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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  -7: X=0.29690000 Y=0.11990000 Z=0.06650000
          MULT= 8          ISPLIT=15
      -7: X=0.70310000 Y=0.88010000 Z=0.93350000
      -7: X=0.29690000 Y=0.61990000 Z=0.93350000
      -7: X=0.70310000 Y=0.38010000 Z=0.06650000
      -7: X=0.70310000 Y=0.11990000 Z=0.06650000
      -7: X=0.29690000 Y=0.88010000 Z=0.93350000
      -7: X=0.70310000 Y=0.61990000 Z=0.93350000
      -7: X=0.29690000 Y=0.38010000 Z=0.06650000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000