B   LATTICE,NONEQUIV.ATOMS   6   72 Ibam    
MODE OF CALC=RELA unit=bohr
 14.686385 19.047873 21.028117 90.000000 90.000000 90.000000
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.50000000 Y=0.00000000 Z=0.75000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.13260000 Y=0.18080000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.86740000 Y=0.81920000 Z=0.00000000
      -2: X=0.86740000 Y=0.18080000 Z=0.50000000
      -2: X=0.13260000 Y=0.81920000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  40.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.37020000 Y=0.28050000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -4: X=0.62980000 Y=0.71950000 Z=0.00000000
      -4: X=0.62980000 Y=0.28050000 Z=0.50000000
      -4: X=0.37020000 Y=0.71950000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.26280000 Y=0.07820000 Z=0.12750000
          MULT= 8          ISPLIT=15
      -5: X=0.73720000 Y=0.92180000 Z=0.87250000
      -5: X=0.26280000 Y=0.07820000 Z=0.87250000
      -5: X=0.73720000 Y=0.92180000 Z=0.12750000
      -5: X=0.73720000 Y=0.07820000 Z=0.62750000
      -5: X=0.26280000 Y=0.92180000 Z=0.37250000
      -5: X=0.73720000 Y=0.07820000 Z=0.37250000
      -5: X=0.26280000 Y=0.92180000 Z=0.62750000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.10250000 Y=0.31400000 Z=0.13420000
          MULT= 8          ISPLIT=15
      -6: X=0.89750000 Y=0.68600000 Z=0.86580000
      -6: X=0.10250000 Y=0.31400000 Z=0.86580000
      -6: X=0.89750000 Y=0.68600000 Z=0.13420000
      -6: X=0.89750000 Y=0.31400000 Z=0.63420000
      -6: X=0.10250000 Y=0.68600000 Z=0.36580000
      -6: X=0.89750000 Y=0.31400000 Z=0.36580000
      -6: X=0.10250000 Y=0.68600000 Z=0.63420000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000