R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 27.404810 27.404810 18.889699 90.000000 90.000000120.000000                   
ATOM  -1: X=0.31228000 Y=0.77005000 Z=0.91989000
          MULT= 6          ISPLIT= 8
      -1: X=0.68772000 Y=0.22995000 Z=0.08011000
      -1: X=0.77005000 Y=0.91989000 Z=0.31228000
      -1: X=0.22995000 Y=0.08011000 Z=0.68772000
      -1: X=0.91989000 Y=0.31228000 Z=0.77005000
      -1: X=0.08011000 Y=0.68772000 Z=0.22995000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -2: X=0.37600000 Y=0.45085000 Z=0.14695000
          MULT= 6          ISPLIT= 8
      -2: X=0.62400000 Y=0.54915000 Z=0.85305000
      -2: X=0.45085000 Y=0.14695000 Z=0.37600000
      -2: X=0.54915000 Y=0.85305000 Z=0.62400000
      -2: X=0.14695000 Y=0.37600000 Z=0.45085000
      -2: X=0.85305000 Y=0.62400000 Z=0.54915000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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=0.27330000 Y=0.08960000 Z=0.02800000
          MULT= 6          ISPLIT= 8
      -3: X=0.72670000 Y=0.91040000 Z=0.97200000
      -3: X=0.08960000 Y=0.02800000 Z=0.27330000
      -3: X=0.91040000 Y=0.97200000 Z=0.72670000
      -3: X=0.02800000 Y=0.27330000 Z=0.08960000
      -3: X=0.97200000 Y=0.72670000 Z=0.91040000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000