H   LATTICE,NONEQUIV.ATOMS   3  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.029619 12.029619  9.450898 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.31000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.69000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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
Nb         NPT=  781  R0=.000010000 RMT= 1.74        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.86400000 Y=0.13600000 Z=0.20000000
          MULT= 6          ISPLIT= 8
      -3: X=0.13600000 Y=0.86400000 Z=0.80000000
      -3: X=0.86400000 Y=0.72800000 Z=0.20000000
      -3: X=0.13600000 Y=0.27200000 Z=0.80000000
      -3: X=0.27200000 Y=0.13600000 Z=0.20000000
      -3: X=0.72800000 Y=0.86400000 Z=0.80000000
F          NPT=  781  R0=.000100000 RMT= 1.65        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000