R   LATTICE,NONEQUIV.ATOMS   3  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.660176 11.660176 11.074738 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20580000 Y=0.20580000 Z=0.20580000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.08        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 1.19        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=0.46400000 Y=0.46400000 Z=0.46400000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.46        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000