R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.027869 24.027869 34.228608 90.000000 90.000000120.000000                   
ATOM  -1: X=0.90790000 Y=0.59210000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.09210000 Y=0.40790000 Z=0.75000000
      -1: X=0.59210000 Y=0.25000000 Z=0.90790000
      -1: X=0.40790000 Y=0.75000000 Z=0.09210000
      -1: X=0.25000000 Y=0.90790000 Z=0.59210000
      -1: X=0.75000000 Y=0.09210000 Z=0.40790000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.15150000 Y=0.15150000 Z=0.15150000
          MULT= 4          ISPLIT= 4
      -2: X=0.84850000 Y=0.84850000 Z=0.84850000
      -2: X=0.65150000 Y=0.65150000 Z=0.65150000
      -2: X=0.34850000 Y=0.34850000 Z=0.34850000
Sc         NPT=  781  R0=.000050000 RMT= 2.49        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.40330000 Y=0.09670000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.59670000 Y=0.90330000 Z=0.75000000
      -3: X=0.09670000 Y=0.25000000 Z=0.40330000
      -3: X=0.90330000 Y=0.75000000 Z=0.59670000
      -3: X=0.25000000 Y=0.40330000 Z=0.09670000
      -3: X=0.75000000 Y=0.59670000 Z=0.90330000
Cl         NPT=  781  R0=.000100000 RMT= 2.25        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.23640000 Y=0.07081000 Z=0.90990000
          MULT=12          ISPLIT= 8
      -4: X=0.76360000 Y=0.92919000 Z=0.09010000
      -4: X=0.07081000 Y=0.90990000 Z=0.23640000
      -4: X=0.92919000 Y=0.09010000 Z=0.76360000
      -4: X=0.73640000 Y=0.40990000 Z=0.57081000
      -4: X=0.26360000 Y=0.59010000 Z=0.42919000
      -4: X=0.90990000 Y=0.23640000 Z=0.07081000
      -4: X=0.09010000 Y=0.76360000 Z=0.92919000
      -4: X=0.40990000 Y=0.57081000 Z=0.73640000
      -4: X=0.59010000 Y=0.42919000 Z=0.26360000
      -4: X=0.57081000 Y=0.73640000 Z=0.40990000
      -4: X=0.42919000 Y=0.26360000 Z=0.59010000
Cl         NPT=  781  R0=.000100000 RMT= 2.25        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000