H   LATTICE,NONEQUIV.ATOMS   2  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.978709 18.978709  8.580302 90.000000 90.000000120.000000                   
ATOM  -1: X=0.32561000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.67439000 Y=0.00000000 Z=0.75000000
      -1: X=0.00000000 Y=0.32561000 Z=0.25000000
      -1: X=0.00000000 Y=0.67439000 Z=0.75000000
      -1: X=0.67439000 Y=0.67439000 Z=0.25000000
      -1: X=0.32561000 Y=0.32561000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.14        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.65090000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.34910000 Y=0.00000000 Z=0.75000000
      -2: X=0.00000000 Y=0.65090000 Z=0.25000000
      -2: X=0.00000000 Y=0.34910000 Z=0.75000000
      -2: X=0.34910000 Y=0.34910000 Z=0.25000000
      -2: X=0.65090000 Y=0.65090000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.14        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000