H   LATTICE,NONEQUIV.ATOMS   3  152 P3121                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.200407 11.200407 12.674393 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.33333333
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.66666666
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT= 1.93        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.35000000 Y=0.00000000 Z=0.83333333
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.35000000 Z=0.16666666
      -2: X=0.65000000 Y=0.65000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.46        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.41000000 Y=0.22000000 Z=0.18333000
          MULT= 6          ISPLIT= 8
      -3: X=0.78000000 Y=0.19000000 Z=0.51666333
      -3: X=0.22000000 Y=0.41000000 Z=0.81667000
      -3: X=0.81000000 Y=0.59000000 Z=0.84999667
      -3: X=0.59000000 Y=0.81000000 Z=0.15000333
      -3: X=0.19000000 Y=0.78000000 Z=0.48333667
O          NPT=  781  R0=.000100000 RMT= 1.66        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000