H   LATTICE,NONEQUIV.ATOMS   3  164 P-3m1   
MODE OF CALC=RELA unit=bohr
 14.388375 14.388375 11.410166 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.66666667 Y=0.33333333 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT=   2.00000   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  -3: X=0.82200000 Y=0.17800000 Z=0.25600000
          MULT= 6          ISPLIT=15
      -3: X=0.17800000 Y=0.82200000 Z=0.74400000
      -3: X=0.82200000 Y=0.64400000 Z=0.25600000
      -3: X=0.17800000 Y=0.35600000 Z=0.74400000
      -3: X=0.35600000 Y=0.17800000 Z=0.25600000
      -3: X=0.64400000 Y=0.82200000 Z=0.74400000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000