H   LATTICE,NONEQUIV.ATOMS   3  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 15.951934 15.951934 13.193501 90.000000 90.000000120.000000                   
ATOM  -1: X=0.14390000 Y=0.28780000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.85610000 Y=0.71220000 Z=0.75000000
      -1: X=0.85610000 Y=0.14390000 Z=0.75000000
      -1: X=0.14390000 Y=0.85610000 Z=0.25000000
      -1: X=0.28780000 Y=0.14390000 Z=0.75000000
      -1: X=0.71220000 Y=0.85610000 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=0.33333333 Y=0.66666667 Z=0.75000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.25000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
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=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
N          NPT=  781  R0=.000100000 RMT= 2.50000     Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000