H   LATTICE,NONEQUIV.ATOMS   6  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.684366 11.684366 28.089834 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.08100000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.91900000
      -1: X=0.33333333 Y=0.66666667 Z=0.58100000
      -1: X=0.66666667 Y=0.33333333 Z=0.41900000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
Te         NPT=  781  R0=.000010000 RMT= 1.95        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.33140000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.66860000
      -4: X=0.33333333 Y=0.66666667 Z=0.83140000
      -4: X=0.66666667 Y=0.33333333 Z=0.16860000
Bi         NPT=  781  R0=.000005000 RMT= 2.25        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.45430000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.54570000 Y=0.00000000 Z=0.75000000
      -5: X=0.00000000 Y=0.45430000 Z=0.25000000
      -5: X=0.00000000 Y=0.54570000 Z=0.75000000
      -5: X=0.54570000 Y=0.54570000 Z=0.25000000
      -5: X=0.45430000 Y=0.45430000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.28820000 Y=0.20160000 Z=0.07400000
          MULT=12          ISPLIT= 8
      -6: X=0.71180000 Y=0.79840000 Z=0.92600000
      -6: X=0.79840000 Y=0.08660000 Z=0.07400000
      -6: X=0.20160000 Y=0.91340000 Z=0.92600000
      -6: X=0.79840000 Y=0.71180000 Z=0.57400000
      -6: X=0.20160000 Y=0.28820000 Z=0.42600000
      -6: X=0.91340000 Y=0.71180000 Z=0.07400000
      -6: X=0.08660000 Y=0.28820000 Z=0.92600000
      -6: X=0.28820000 Y=0.08660000 Z=0.57400000
      -6: X=0.71180000 Y=0.91340000 Z=0.42600000
      -6: X=0.91340000 Y=0.20160000 Z=0.57400000
      -6: X=0.08660000 Y=0.79840000 Z=0.42600000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000