R   LATTICE,NONEQUIV.ATOMS   3  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.980109 11.980109 14.974568 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00930000 Y=0.00930000 Z=0.00930000
          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=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
I          NPT=  781  R0=.000010000 RMT= 1.81        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.54420000 Y=0.10720000 Z=0.54420000
          MULT= 3          ISPLIT= 8
      -3: X=0.10720000 Y=0.54420000 Z=0.54420000
      -3: X=0.54420000 Y=0.54420000 Z=0.10720000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000