H   LATTICE,NONEQUIV.ATOMS   5  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 20.666045 20.666045 16.899821 90.000000 90.000000120.000000                   
ATOM  -1: X=0.52812000 Y=0.05624000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.47188000 Y=0.94376000 Z=0.75000000
      -1: X=0.47188000 Y=0.52812000 Z=0.75000000
      -1: X=0.52812000 Y=0.47188000 Z=0.25000000
      -1: X=0.05624000 Y=0.52812000 Z=0.75000000
      -1: X=0.94376000 Y=0.47188000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 2.50000     Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.08500000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.91500000
      -3: X=0.66666666 Y=0.33333333 Z=0.58500000
      -3: X=0.33333334 Y=0.66666667 Z=0.41500000
Li         NPT=  781  R0=.000100000 RMT= 2.50000     Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.90140000 Y=0.80280000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.09860000 Y=0.19720000 Z=0.75000000
      -4: X=0.09860000 Y=0.90140000 Z=0.75000000
      -4: X=0.90140000 Y=0.09860000 Z=0.25000000
      -4: X=0.80280000 Y=0.90140000 Z=0.75000000
      -4: X=0.19720000 Y=0.09860000 Z=0.25000000
Li         NPT=  781  R0=.000100000 RMT= 2.50000     Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.16450000 Y=0.32900000 Z=0.06550000
          MULT=12          ISPLIT= 8
      -5: X=0.83550000 Y=0.67100000 Z=0.93450000
      -5: X=0.83550000 Y=0.16450000 Z=0.56550000
      -5: X=0.16450000 Y=0.83550000 Z=0.43450000
      -5: X=0.32900000 Y=0.16450000 Z=0.56550000
      -5: X=0.67100000 Y=0.83550000 Z=0.43450000
      -5: X=0.67100000 Y=0.83550000 Z=0.06550000
      -5: X=0.32900000 Y=0.16450000 Z=0.93450000
      -5: X=0.83550000 Y=0.67100000 Z=0.56550000
      -5: X=0.16450000 Y=0.32900000 Z=0.43450000
      -5: X=0.16450000 Y=0.83550000 Z=0.06550000
      -5: X=0.83550000 Y=0.16450000 Z=0.93450000
Li         NPT=  781  R0=.000100000 RMT= 2.50000     Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000