H   LATTICE,NONEQUIV.ATOMS   3  185 P63cm                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.676953 10.676953  9.524220 90.000000 90.000000120.000000                   
ATOM  -1: X=0.59200000 Y=0.00000000 Z=0.18300000
          MULT= 6          ISPLIT= 8
      -1: X=0.59200000 Y=0.59200000 Z=0.68300000
      -1: X=0.00000000 Y=0.59200000 Z=0.18300000
      -1: X=0.40800000 Y=0.00000000 Z=0.68300000
      -1: X=0.40800000 Y=0.40800000 Z=0.18300000
      -1: X=0.00000000 Y=0.40800000 Z=0.68300000
B          NPT=  781  R0=.000100000 RMT= 1.61        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.17500000 Y=0.46600000 Z=0.00000000
          MULT=12          ISPLIT= 8
      -2: X=0.70900000 Y=0.17500000 Z=0.50000000
      -2: X=0.46600000 Y=0.17500000 Z=0.00000000
      -2: X=0.53400000 Y=0.70900000 Z=0.00000000
      -2: X=0.29100000 Y=0.46600000 Z=0.50000000
      -2: X=0.82500000 Y=0.53400000 Z=0.50000000
      -2: X=0.82500000 Y=0.29100000 Z=0.00000000
      -2: X=0.29100000 Y=0.82500000 Z=0.00000000
      -2: X=0.53400000 Y=0.82500000 Z=0.50000000
      -2: X=0.46600000 Y=0.29100000 Z=0.50000000
      -2: X=0.70900000 Y=0.53400000 Z=0.00000000
      -2: X=0.17500000 Y=0.70900000 Z=0.50000000
B          NPT=  781  R0=.000100000 RMT= 1.61        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.09400000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.59400000
Li         NPT=  781  R0=.000100000 RMT= 2.15        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000