R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c    
MODE OF CALC=RELA unit=bohr
 17.304222 17.304222 60.624302 90.000000 90.000000120.000000
ATOM  -1: X=0.18795000 Y=0.18795000 Z=0.18795000
          MULT= 4          ISPLIT=15
      -1: X=0.81205000 Y=0.81205000 Z=0.81205000
      -1: X=0.68795000 Y=0.68795000 Z=0.68795000
      -1: X=0.31205000 Y=0.31205000 Z=0.31205000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  56.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20843000 Y=0.01135000 Z=0.88150000
          MULT=12          ISPLIT=15
      -2: X=0.79157000 Y=0.98865000 Z=0.11850000
      -2: X=0.01135000 Y=0.88150000 Z=0.20843000
      -2: X=0.98865000 Y=0.11850000 Z=0.79157000
      -2: X=0.70843000 Y=0.38150000 Z=0.51135000
      -2: X=0.29157000 Y=0.61850000 Z=0.48865000
      -2: X=0.88150000 Y=0.20843000 Z=0.01135000
      -2: X=0.11850000 Y=0.79157000 Z=0.98865000
      -2: X=0.38150000 Y=0.51135000 Z=0.70843000
      -2: X=0.61850000 Y=0.48865000 Z=0.29157000
      -2: X=0.51135000 Y=0.70843000 Z=0.38150000
      -2: X=0.48865000 Y=0.29157000 Z=0.61850000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07211000 Y=0.31171000 Z=0.70651000
          MULT=12          ISPLIT=15
      -3: X=0.92789000 Y=0.68829000 Z=0.29349000
      -3: X=0.31171000 Y=0.70651000 Z=0.07211000
      -3: X=0.68829000 Y=0.29349000 Z=0.92789000
      -3: X=0.57211000 Y=0.20651000 Z=0.81171000
      -3: X=0.42789000 Y=0.79349000 Z=0.18829000
      -3: X=0.70651000 Y=0.07211000 Z=0.31171000
      -3: X=0.29349000 Y=0.92789000 Z=0.68829000
      -3: X=0.20651000 Y=0.81171000 Z=0.57211000
      -3: X=0.79349000 Y=0.18829000 Z=0.42789000
      -3: X=0.81171000 Y=0.57211000 Z=0.20651000
      -3: X=0.18829000 Y=0.42789000 Z=0.79349000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.51580000 Y=0.98420000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -4: X=0.48420000 Y=0.01580000 Z=0.75000000
      -4: X=0.98420000 Y=0.25000000 Z=0.51580000
      -4: X=0.01580000 Y=0.75000000 Z=0.48420000
      -4: X=0.25000000 Y=0.51580000 Z=0.98420000
      -4: X=0.75000000 Y=0.48420000 Z=0.01580000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.09046000 Y=0.09046000 Z=0.09046000
          MULT= 4          ISPLIT=15
      -5: X=0.90954000 Y=0.90954000 Z=0.90954000
      -5: X=0.59046000 Y=0.59046000 Z=0.59046000
      -5: X=0.40954000 Y=0.40954000 Z=0.40954000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000