B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3    
MODE OF CALC=RELA unit=bohr
 21.527760 21.527760 21.527760 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
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=0.27910000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT=15
      -2: X=0.72090000 Y=0.00000000 Z=0.75000000
      -2: X=0.72090000 Y=0.50000000 Z=0.25000000
      -2: X=0.27910000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.27910000 Z=0.00000000
      -2: X=0.75000000 Y=0.72090000 Z=0.00000000
      -2: X=0.75000000 Y=0.22090000 Z=0.00000000
      -2: X=0.25000000 Y=0.77910000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.27910000
      -2: X=0.00000000 Y=0.75000000 Z=0.72090000
      -2: X=0.00000000 Y=0.75000000 Z=0.22090000
      -2: X=0.00000000 Y=0.25000000 Z=0.77910000
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  -3: X=0.10180000 Y=0.36080000 Z=0.12870000
          MULT=24          ISPLIT=15
      -3: X=0.89820000 Y=0.63920000 Z=0.87130000
      -3: X=0.89820000 Y=0.13920000 Z=0.12870000
      -3: X=0.10180000 Y=0.86080000 Z=0.87130000
      -3: X=0.10180000 Y=0.63920000 Z=0.37130000
      -3: X=0.89820000 Y=0.36080000 Z=0.62870000
      -3: X=0.12870000 Y=0.10180000 Z=0.36080000
      -3: X=0.87130000 Y=0.89820000 Z=0.63920000
      -3: X=0.89820000 Y=0.86080000 Z=0.37130000
      -3: X=0.10180000 Y=0.13920000 Z=0.62870000
      -3: X=0.87130000 Y=0.39820000 Z=0.36080000
      -3: X=0.12870000 Y=0.60180000 Z=0.63920000
      -3: X=0.12870000 Y=0.89820000 Z=0.13920000
      -3: X=0.87130000 Y=0.10180000 Z=0.86080000
      -3: X=0.87130000 Y=0.60180000 Z=0.13920000
      -3: X=0.12870000 Y=0.39820000 Z=0.86080000
      -3: X=0.36080000 Y=0.12870000 Z=0.10180000
      -3: X=0.63920000 Y=0.87130000 Z=0.89820000
      -3: X=0.63920000 Y=0.37130000 Z=0.10180000
      -3: X=0.36080000 Y=0.62870000 Z=0.89820000
      -3: X=0.36080000 Y=0.87130000 Z=0.39820000
      -3: X=0.63920000 Y=0.12870000 Z=0.60180000
      -3: X=0.63920000 Y=0.62870000 Z=0.39820000
      -3: X=0.36080000 Y=0.37130000 Z=0.60180000
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