R   LATTICE,NONEQUIV.ATOMS   9  160 R3m     
MODE OF CALC=RELA unit=bohr
 29.143169 29.143169 36.253260 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
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=0.50000000 Y=0.00099000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -2: X=0.00099000 Y=0.50000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00099000
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=0.24200000 Y=0.99299000 Z=0.24200000
          MULT= 3          ISPLIT=15
      -3: X=0.99299000 Y=0.24200000 Z=0.24200000
      -3: X=0.24200000 Y=0.24200000 Z=0.99299000
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  -4: X=0.73300000 Y=0.00401000 Z=0.73300000
          MULT= 3          ISPLIT=15
      -4: X=0.00401000 Y=0.73300000 Z=0.73300000
      -4: X=0.73300000 Y=0.73300000 Z=0.00401000
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  -5: X=0.23500000 Y=0.47000000 Z=0.70300000
          MULT= 6          ISPLIT=15
      -5: X=0.47000000 Y=0.70300000 Z=0.23500000
      -5: X=0.23500000 Y=0.70300000 Z=0.47000000
      -5: X=0.70300000 Y=0.23500000 Z=0.47000000
      -5: X=0.70300000 Y=0.47000000 Z=0.23500000
      -5: X=0.47000000 Y=0.23500000 Z=0.70300000
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  -6: X=0.36900000 Y=0.36900000 Z=0.36900000
          MULT= 1          ISPLIT=15
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  -7: X=0.66000000 Y=0.66000000 Z=0.66000000
          MULT= 1          ISPLIT=15
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  -8: X=0.12200000 Y=0.60500000 Z=0.12200000
          MULT= 3          ISPLIT=15
      -8: X=0.60500000 Y=0.12200000 Z=0.12200000
      -8: X=0.12200000 Y=0.12200000 Z=0.60500000
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  -9: X=0.86900000 Y=0.34599000 Z=0.86900000
          MULT= 3          ISPLIT=15
      -9: X=0.34599000 Y=0.86900000 Z=0.86900000
      -9: X=0.86900000 Y=0.86900000 Z=0.34599000
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