H   LATTICE,NONEQUIV.ATOMS   3  188 P-6c2                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.768734 13.768734 12.789666 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00410000 Y=0.32685000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.32275000 Y=0.99590000 Z=0.25000000
      -1: X=0.67315000 Y=0.99590000 Z=0.75000000
      -1: X=0.67315000 Y=0.67725000 Z=0.25000000
      -1: X=0.32275000 Y=0.32685000 Z=0.75000000
      -1: X=0.00410000 Y=0.67725000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.33333334 Y=0.66666667 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 2.30        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000