B   LATTICE,NONEQUIV.ATOMS   3  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 11.565124 11.565124 20.751083 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.45        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=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 1.93        Z:  46.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16400000 Y=0.66400000 Z=0.12300000
          MULT= 8          ISPLIT= 8
      -3: X=0.83600000 Y=0.33600000 Z=0.87700000
      -3: X=0.33600000 Y=0.16400000 Z=0.12300000
      -3: X=0.66400000 Y=0.83600000 Z=0.87700000
      -3: X=0.83600000 Y=0.33600000 Z=0.12300000
      -3: X=0.16400000 Y=0.66400000 Z=0.87700000
      -3: X=0.66400000 Y=0.83600000 Z=0.12300000
      -3: X=0.33600000 Y=0.16400000 Z=0.87700000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000