H   LATTICE,NONEQUIV.ATOMS   3  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.640713 11.640713  9.108480 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.30900000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.69100000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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
Zr         NPT=  781  R0=.000010000 RMT= 1.96        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.83300000 Y=0.16700000 Z=0.20600000
          MULT= 6          ISPLIT= 8
      -3: X=0.16700000 Y=0.83300000 Z=0.79400000
      -3: X=0.83300000 Y=0.66600000 Z=0.20600000
      -3: X=0.16700000 Y=0.33400000 Z=0.79400000
      -3: X=0.33400000 Y=0.16700000 Z=0.20600000
      -3: X=0.66600000 Y=0.83300000 Z=0.79400000
F          NPT=  781  R0=.000100000 RMT= 1.87        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000