B   LATTICE,NONEQUIV.ATOMS   4  140 I4/mcm  
MODE OF CALC=RELA unit=bohr
 15.721388 15.721388 27.518192 90.000000 90.000000 90.000000
ATOM  -1: X=0.65477000 Y=0.15477000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.34523000 Y=0.84523000 Z=0.00000000
      -1: X=0.84523000 Y=0.65477000 Z=0.00000000
      -1: X=0.15477000 Y=0.34523000 Z=0.00000000
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  -2: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
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=0.14823000 Y=0.64823000 Z=0.13746000
          MULT= 8          ISPLIT=15
      -3: X=0.85177000 Y=0.35177000 Z=0.86254000
      -3: X=0.35177000 Y=0.14823000 Z=0.13746000
      -3: X=0.64823000 Y=0.85177000 Z=0.86254000
      -3: X=0.85177000 Y=0.35177000 Z=0.13746000
      -3: X=0.14823000 Y=0.64823000 Z=0.86254000
      -3: X=0.64823000 Y=0.85177000 Z=0.13746000
      -3: X=0.35177000 Y=0.14823000 Z=0.86254000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
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=0.00000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000