R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.599054  9.599054 26.329177 90.000000 90.000000120.000000                   
ATOM  -1: X=0.36140000 Y=0.36140000 Z=0.36140000
          MULT= 2          ISPLIT= 4
      -1: X=0.63860000 Y=0.63860000 Z=0.63860000
Zn         NPT=  781  R0=.000050000 RMT= 2.05        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.14660000 Y=0.14660000 Z=0.14660000
          MULT= 2          ISPLIT= 4
      -2: X=0.85340000 Y=0.85340000 Z=0.85340000
Ti         NPT=  781  R0=.000050000 RMT= 1.85        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.43810000 Y=0.77690000 Z=0.04900000
          MULT= 6          ISPLIT= 8
      -3: X=0.56190000 Y=0.22310000 Z=0.95100000
      -3: X=0.77690000 Y=0.04900000 Z=0.43810000
      -3: X=0.22310000 Y=0.95100000 Z=0.56190000
      -3: X=0.04900000 Y=0.43810000 Z=0.77690000
      -3: X=0.95100000 Y=0.56190000 Z=0.22310000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000