R   LATTICE,NONEQUIV.ATOMS   6  167 R-3c    
MODE OF CALC=RELA unit=bohr
 18.216962 18.216962 36.868557 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  55.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.75000000 Y=0.75000000 Z=0.75000000
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  -3: X=0.15800000 Y=0.15800000 Z=0.15800000
          MULT= 4          ISPLIT=15
      -3: X=0.84200000 Y=0.84200000 Z=0.84200000
      -3: X=0.65800000 Y=0.65800000 Z=0.65800000
      -3: X=0.34200000 Y=0.34200000 Z=0.34200000
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
ATOM  -4: X=0.55000000 Y=0.95000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -4: X=0.45000000 Y=0.05000000 Z=0.75000000
      -4: X=0.95000000 Y=0.25000000 Z=0.55000000
      -4: X=0.05000000 Y=0.75000000 Z=0.45000000
      -4: X=0.25000000 Y=0.55000000 Z=0.95000000
      -4: X=0.75000000 Y=0.45000000 Z=0.05000000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.68000000 Y=0.82000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -5: X=0.32000000 Y=0.18000000 Z=0.75000000
      -5: X=0.82000000 Y=0.25000000 Z=0.68000000
      -5: X=0.18000000 Y=0.75000000 Z=0.32000000
      -5: X=0.25000000 Y=0.68000000 Z=0.82000000
      -5: X=0.75000000 Y=0.32000000 Z=0.18000000
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
ATOM  -6: X=0.37500000 Y=0.42500000 Z=0.95000000
          MULT=12          ISPLIT=15
      -6: X=0.62500000 Y=0.57500000 Z=0.05000000
      -6: X=0.42500000 Y=0.95000000 Z=0.37500000
      -6: X=0.57500000 Y=0.05000000 Z=0.62500000
      -6: X=0.87500000 Y=0.45000000 Z=0.92500000
      -6: X=0.12500000 Y=0.55000000 Z=0.07500000
      -6: X=0.95000000 Y=0.37500000 Z=0.42500000
      -6: X=0.05000000 Y=0.62500000 Z=0.57500000
      -6: X=0.45000000 Y=0.92500000 Z=0.87500000
      -6: X=0.55000000 Y=0.07500000 Z=0.12500000
      -6: X=0.92500000 Y=0.87500000 Z=0.45000000
      -6: X=0.07500000 Y=0.12500000 Z=0.55000000
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