R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.926397 10.926397 40.559191 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23410000 Y=0.23410000 Z=0.23410000
          MULT= 2          ISPLIT= 4
      -3: X=0.76590000 Y=0.76590000 Z=0.76590000
Cl         NPT=  781  R0=.000100000 RMT= 1.34        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.60790000 Y=0.01289000 Z=0.60790000
          MULT= 6          ISPLIT= 8
      -4: X=0.39210000 Y=0.98711000 Z=0.39210000
      -4: X=0.01289000 Y=0.60790000 Z=0.60790000
      -4: X=0.98711000 Y=0.39210000 Z=0.39210000
      -4: X=0.60790000 Y=0.60790000 Z=0.01289000
      -4: X=0.39210000 Y=0.39210000 Z=0.98711000
O          NPT=  781  R0=.000100000 RMT= 1.34        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.16750000 Y=0.16750000 Z=0.16750000
          MULT= 2          ISPLIT= 4
      -5: X=0.83250000 Y=0.83250000 Z=0.83250000
O          NPT=  781  R0=.000100000 RMT= 1.34        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000