R   LATTICE,NONEQUIV.ATOMS   7  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  4.766078  4.766078 81.721205 90.000000 90.000000120.000000                   
ATOM  -1: X=0.48214000 Y=0.48214000 Z=0.48214000
          MULT= 2          ISPLIT= 4
      -1: X=0.51786000 Y=0.51786000 Z=0.51786000
C          NPT=  781  R0=.000100000 RMT= 1.45        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.32738000 Y=0.32738000 Z=0.32738000
          MULT= 2          ISPLIT= 4
      -2: X=0.67262000 Y=0.67262000 Z=0.67262000
C          NPT=  781  R0=.000100000 RMT= 1.45        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29167000 Y=0.29167000 Z=0.29167000
          MULT= 2          ISPLIT= 4
      -3: X=0.70833000 Y=0.70833000 Z=0.70833000
C          NPT=  781  R0=.000100000 RMT= 1.45        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23214000 Y=0.23214000 Z=0.23214000
          MULT= 2          ISPLIT= 4
      -4: X=0.76786000 Y=0.76786000 Z=0.76786000
C          NPT=  781  R0=.000100000 RMT= 1.45        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.19643000 Y=0.19643000 Z=0.19643000
          MULT= 2          ISPLIT= 4
      -5: X=0.80357000 Y=0.80357000 Z=0.80357000
C          NPT=  781  R0=.000100000 RMT= 1.45        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.08929000 Y=0.08929000 Z=0.08929000
          MULT= 2          ISPLIT= 4
      -6: X=0.91071000 Y=0.91071000 Z=0.91071000
C          NPT=  781  R0=.000100000 RMT= 1.45        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.05357000 Y=0.05357000 Z=0.05357000
          MULT= 2          ISPLIT= 4
      -7: X=0.94643000 Y=0.94643000 Z=0.94643000
C          NPT=  781  R0=.000100000 RMT= 1.45        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000