R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.328550 29.328550 15.919048 90.000000 90.000000120.000000                   
ATOM  -1: X=0.70011000 Y=0.79989000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.29989000 Y=0.20011000 Z=0.75000000
      -1: X=0.79989000 Y=0.25000000 Z=0.70011000
      -1: X=0.20011000 Y=0.75000000 Z=0.29989000
      -1: X=0.25000000 Y=0.70011000 Z=0.79989000
      -1: X=0.75000000 Y=0.29989000 Z=0.20011000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.13080000 Y=0.36920000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.86920000 Y=0.63080000 Z=0.75000000
      -2: X=0.36920000 Y=0.25000000 Z=0.13080000
      -2: X=0.63080000 Y=0.75000000 Z=0.86920000
      -2: X=0.25000000 Y=0.13080000 Z=0.36920000
      -2: X=0.75000000 Y=0.86920000 Z=0.63080000
S          NPT=  781  R0=.000100000 RMT= 1.75        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.47824000 Y=0.02176000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.52176000 Y=0.97824000 Z=0.75000000
      -3: X=0.02176000 Y=0.25000000 Z=0.47824000
      -3: X=0.97824000 Y=0.75000000 Z=0.52176000
      -3: X=0.25000000 Y=0.47824000 Z=0.02176000
      -3: X=0.75000000 Y=0.52176000 Z=0.97824000
S          NPT=  781  R0=.000100000 RMT= 1.75        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.36380000 Y=0.13620000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.63620000 Y=0.86380000 Z=0.75000000
      -4: X=0.13620000 Y=0.25000000 Z=0.36380000
      -4: X=0.86380000 Y=0.75000000 Z=0.63620000
      -4: X=0.25000000 Y=0.36380000 Z=0.13620000
      -4: X=0.75000000 Y=0.63620000 Z=0.86380000
B          NPT=  781  R0=.000100000 RMT= 1.58        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000