TITLE                                                                          
H                            9                                                 
             RELA                                                              
 10.728063 10.728063 26.579464 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00437000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50437000
Ti1        NPT=  781  R0=0.00005000 RMT=    1.8800   Z: 22.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.66666667 Y=0.33333333 Z=0.33770000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.83770000
Ti2        NPT=  781  R0=0.00005000 RMT=    1.8800   Z: 22.0                   
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=0.67104000
          MULT= 2          ISPLIT= 4
      -3: X=0.33333333 Y=0.66666667 Z=0.17104000
Ti3        NPT=  781  R0=0.00005000 RMT=    1.8800   Z: 22.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16245000 Y=0.32981000 Z=0.07528000
          MULT= 6          ISPLIT= 8
      -4: X=0.67019000 Y=0.83264000 Z=0.07528000
      -4: X=0.16736000 Y=0.83755000 Z=0.07528000
      -4: X=0.67019000 Y=0.83755000 Z=0.57528000
      -4: X=0.16736000 Y=0.32981000 Z=0.57528000
      -4: X=0.16245000 Y=0.83264000 Z=0.57528000
O 4        NPT=  781  R0=0.00010000 RMT=    1.7000   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.82912000 Y=0.66314000 Z=0.40861000
          MULT= 6          ISPLIT= 8
      -5: X=0.33686000 Y=0.16598000 Z=0.40861000
      -5: X=0.83402000 Y=0.17088000 Z=0.40861000
      -5: X=0.33686000 Y=0.17088000 Z=0.90861000
      -5: X=0.83402000 Y=0.66314000 Z=0.90861000
      -5: X=0.82912000 Y=0.16598000 Z=0.90861000
O 5        NPT=  781  R0=0.00010000 RMT=    1.7000   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.49578000 Y=0.99647000 Z=0.74195000
          MULT= 6          ISPLIT= 8
      -6: X=0.00353000 Y=0.49931000 Z=0.74195000
      -6: X=0.50069000 Y=0.50422000 Z=0.74195000
      -6: X=0.00353000 Y=0.50422000 Z=0.24195000
      -6: X=0.50069000 Y=0.99647000 Z=0.24195000
      -6: X=0.49578000 Y=0.49931000 Z=0.24195000
O 6        NPT=  781  R0=0.00010000 RMT=    1.7000   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.24919000
          MULT= 2          ISPLIT= 4
      -7: X=0.00000000 Y=0.00000000 Z=0.74919000
Ba7        NPT=  781  R0=0.00001000 RMT=    2.5000   Z: 56.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.66666667 Y=0.33333333 Z=0.58252000
          MULT= 2          ISPLIT= 4
      -8: X=0.66666667 Y=0.33333333 Z=0.08252000
Ba8        NPT=  781  R0=0.00001000 RMT=    2.5000   Z: 56.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.33333333 Y=0.66666667 Z=0.91585000
          MULT= 2          ISPLIT= 4
      -9: X=0.33333333 Y=0.66666667 Z=0.41585000
Ba9        NPT=  781  R0=0.00001000 RMT=    2.5000   Z: 56.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   6      NUMBER OF SYMMETRY OPERATIONS
-1 1 0 0.00000000
-1 0 0 0.00000000
 0 0 1 0.00000000
       1
 0-1 0 0.00000000
 1-1 0 0.00000000
 0 0 1 0.00000000
       2
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.00000000
       3
 1 0 0 0.00000000
 1-1 0 0.00000000
 0 0 1 0.50000000
       4
-1 1 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.50000000
       5
 0-1 0 0.00000000
-1 0 0 0.00000000
 0 0 1 0.50000000
       6
