R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.172078  7.172078 35.646094 90.000000 90.000000120.000000                   
ATOM  -1: X=0.24185000 Y=0.24185000 Z=0.24185000
          MULT= 2          ISPLIT= 4
      -1: X=0.75815000 Y=0.75815000 Z=0.75815000
Y          NPT=  781  R0=.000010000 RMT= 2.23        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12110000 Y=0.12110000 Z=0.12110000
          MULT= 2          ISPLIT= 4
      -2: X=0.87890000 Y=0.87890000 Z=0.87890000
O          NPT=  781  R0=.000100000 RMT= 2.02        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  -3: X=0.36850000 Y=0.36850000 Z=0.36850000
          MULT= 2          ISPLIT= 4
      -3: X=0.63150000 Y=0.63150000 Z=0.63150000
F          NPT=  781  R0=.000100000 RMT= 2.19        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000