B   LATTICE,NONEQUIV.ATOMS   3  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 10.704543 10.704543 15.862739 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= 2.50000     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=0.66400000 Y=0.16400000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.33600000 Y=0.83600000 Z=0.00000000
      -2: X=0.83600000 Y=0.66400000 Z=0.00000000
      -2: X=0.16400000 Y=0.33600000 Z=0.00000000
N          NPT=  781  R0=.000100000 RMT= 1.64        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.12800000 Y=0.62800000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.87200000 Y=0.37200000 Z=0.00000000
      -3: X=0.37200000 Y=0.12800000 Z=0.00000000
      -3: X=0.62800000 Y=0.87200000 Z=0.00000000
Be         NPT=  781  R0=.000100000 RMT= 1.49        Z:   4.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000