R   LATTICE,NONEQUIV.ATOMS   7  148 R-3     
MODE OF CALC=RELA unit=bohr
 29.602560 29.602560 15.722515 90.000000 90.000000120.000000
ATOM  -1: X=0.33375000 Y=0.22932000 Z=0.00162000
          MULT= 6          ISPLIT=15
      -1: X=0.66625000 Y=0.77068000 Z=0.99838000
      -1: X=0.22932000 Y=0.00162000 Z=0.33375000
      -1: X=0.77068000 Y=0.99838000 Z=0.66625000
      -1: X=0.00162000 Y=0.33375000 Z=0.22932000
      -1: X=0.99838000 Y=0.66625000 Z=0.77068000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.32195000 Y=0.41099000 Z=0.83136000
          MULT= 6          ISPLIT=15
      -2: X=0.67805000 Y=0.58901000 Z=0.16864000
      -2: X=0.41099000 Y=0.83136000 Z=0.32195000
      -2: X=0.58901000 Y=0.16864000 Z=0.67805000
      -2: X=0.83136000 Y=0.32195000 Z=0.41099000
      -2: X=0.16864000 Y=0.67805000 Z=0.58901000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13280000 Y=0.13280000 Z=0.13280000
          MULT= 2          ISPLIT=15
      -3: X=0.86720000 Y=0.86720000 Z=0.86720000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50150000 Y=0.10439000 Z=0.11300000
          MULT= 6          ISPLIT=15
      -4: X=0.49850000 Y=0.89561000 Z=0.88700000
      -4: X=0.10439000 Y=0.11300000 Z=0.50150000
      -4: X=0.89561000 Y=0.88700000 Z=0.49850000
      -4: X=0.11300000 Y=0.50150000 Z=0.10439000
      -4: X=0.88700000 Y=0.49850000 Z=0.89561000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.53630000 Y=0.49801000 Z=0.30450000
          MULT= 6          ISPLIT=15
      -5: X=0.46370000 Y=0.50199000 Z=0.69550000
      -5: X=0.49801000 Y=0.30450000 Z=0.53630000
      -5: X=0.50199000 Y=0.69550000 Z=0.46370000
      -5: X=0.30450000 Y=0.53630000 Z=0.49801000
      -5: X=0.69550000 Y=0.46370000 Z=0.50199000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.09700000 Y=0.27590000 Z=0.88960000
          MULT= 6          ISPLIT=15
      -6: X=0.90300000 Y=0.72410000 Z=0.11040000
      -6: X=0.27590000 Y=0.88960000 Z=0.09700000
      -6: X=0.72410000 Y=0.11040000 Z=0.90300000
      -6: X=0.88960000 Y=0.09700000 Z=0.27590000
      -6: X=0.11040000 Y=0.90300000 Z=0.72410000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.12110000 Y=0.49190000 Z=0.70560000
          MULT= 6          ISPLIT=15
      -7: X=0.87890000 Y=0.50810000 Z=0.29440000
      -7: X=0.49190000 Y=0.70560000 Z=0.12110000
      -7: X=0.50810000 Y=0.29440000 Z=0.87890000
      -7: X=0.70560000 Y=0.12110000 Z=0.49190000
      -7: X=0.29440000 Y=0.87890000 Z=0.50810000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000