tio2-100-10                                                                    
P   LATTICE,NONEQUIV.ATOMS: 1551_Pmma                                          
MODE OF CALC=RELA unit=bohr                                                    
  7.152616 35.763081 17.978862 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.00000000 Z=0.87500000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.00000000 Z=0.12500000
Ti1        NPT=  781  R0=0.00005000 RMT=    2.0000   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=0.75000000 Y=0.80000000 Z=0.87500000
          MULT= 4          ISPLIT= 8
      -2: X=0.25000000 Y=0.20000000 Z=0.12500000
      -2: X=0.25000000 Y=0.80000000 Z=0.12500000
      -2: X=0.75000000 Y=0.20000000 Z=0.87500000
Ti2        NPT=  781  R0=0.00005000 RMT=    2.0000   Z: 22.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.75000000 Y=0.60000000 Z=0.87500000
          MULT= 4          ISPLIT= 8
      -3: X=0.25000000 Y=0.40000000 Z=0.12500000
      -3: X=0.25000000 Y=0.60000000 Z=0.12500000
      -3: X=0.75000000 Y=0.40000000 Z=0.87500000
Ti3        NPT=  781  R0=0.00005000 RMT=    2.0000   Z: 22.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.90000000 Z=0.37500000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.10000000 Z=0.62500000
      -4: X=0.75000000 Y=0.90000000 Z=0.62500000
      -4: X=0.25000000 Y=0.10000000 Z=0.37500000
Ti4        NPT=  781  R0=0.00005000 RMT=    2.0000   Z: 22.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.25000000 Y=0.70000000 Z=0.37500000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.30000000 Z=0.62500000
      -5: X=0.75000000 Y=0.70000000 Z=0.62500000
      -5: X=0.25000000 Y=0.30000000 Z=0.37500000
Ti5        NPT=  781  R0=0.00005000 RMT=    2.0000   Z: 22.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.75000000 Y=0.00000000 Z=0.08160000
          MULT= 2          ISPLIT= 8
      -6: X=0.25000000 Y=0.00000000 Z=0.91840000
O 1        NPT=  781  R0=0.00010000 RMT=    1.6000   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=0.25000000 Y=0.00000000 Z=0.33160000
          MULT= 2          ISPLIT= 8
      -7: X=0.75000000 Y=0.00000000 Z=0.66840000
O 2        NPT=  781  R0=0.00010000 RMT=    1.6000   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  -8: X=0.75000000 Y=0.60000000 Z=0.08160000
          MULT= 4          ISPLIT= 8
      -8: X=0.25000000 Y=0.40000000 Z=0.91840000
      -8: X=0.25000000 Y=0.60000000 Z=0.91840000
      -8: X=0.75000000 Y=0.40000000 Z=0.08160000
O 3        NPT=  781  R0=0.00010000 RMT=    1.6000   Z:  8.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.75000000 Y=0.60000000 Z=0.66840000
          MULT= 4          ISPLIT= 8
      -9: X=0.25000000 Y=0.40000000 Z=0.33160000
      -9: X=0.25000000 Y=0.60000000 Z=0.33160000
      -9: X=0.75000000 Y=0.40000000 Z=0.66840000
O 4        NPT=  781  R0=0.00010000 RMT=    1.6000   Z:  8.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -10: X=0.75000000 Y=0.80000000 Z=0.08160000
          MULT= 4          ISPLIT= 8
     -10: X=0.25000000 Y=0.20000000 Z=0.91840000
     -10: X=0.25000000 Y=0.80000000 Z=0.91840000
     -10: X=0.75000000 Y=0.20000000 Z=0.08160000
O 5        NPT=  781  R0=0.00010000 RMT=    1.6000   Z:  8.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -11: X=0.25000000 Y=0.90000000 Z=0.58160000
          MULT= 4          ISPLIT= 8
     -11: X=0.75000000 Y=0.10000000 Z=0.41840000
     -11: X=0.75000000 Y=0.90000000 Z=0.41840000
     -11: X=0.25000000 Y=0.10000000 Z=0.58160000
O 6        NPT=  781  R0=0.00010000 RMT=    1.6000   Z:  8.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -12: X=0.25000000 Y=0.90000000 Z=0.16840000
          MULT= 4          ISPLIT= 8
     -12: X=0.75000000 Y=0.10000000 Z=0.83160000
     -12: X=0.75000000 Y=0.90000000 Z=0.83160000
     -12: X=0.25000000 Y=0.10000000 Z=0.16840000
O 7        NPT=  781  R0=0.00010000 RMT=    1.6000   Z:  8.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -13: X=0.75000000 Y=0.80000000 Z=0.66840000
          MULT= 4          ISPLIT= 8
     -13: X=0.25000000 Y=0.20000000 Z=0.33160000
     -13: X=0.25000000 Y=0.80000000 Z=0.33160000
     -13: X=0.75000000 Y=0.20000000 Z=0.66840000
O 8        NPT=  781  R0=0.00010000 RMT=    1.6000   Z:  8.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -14: X=0.25000000 Y=0.70000000 Z=0.58160000
          MULT= 4          ISPLIT= 8
     -14: X=0.75000000 Y=0.30000000 Z=0.41840000
     -14: X=0.75000000 Y=0.70000000 Z=0.41840000
     -14: X=0.25000000 Y=0.30000000 Z=0.58160000
O 9        NPT=  781  R0=0.00010000 RMT=    1.6000   Z:  8.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -15: X=0.25000000 Y=0.70000000 Z=0.16840000
          MULT= 4          ISPLIT= 8
     -15: X=0.75000000 Y=0.30000000 Z=0.83160000
     -15: X=0.75000000 Y=0.70000000 Z=0.83160000
     -15: X=0.25000000 Y=0.30000000 Z=0.16840000
O 10       NPT=  781  R0=0.00010000 RMT=    1.6000   Z:  8.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
   8      NUMBER OF SYMMETRY OPERATIONS
 1 0 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       1
-1 0 0 0.5000000
 0-1 0 0.0000000
 0 0 1 0.0000000
       2
-1 0 0 0.0000000
 0 1 0 0.0000000
 0 0-1 0.0000000
       3
 1 0 0 0.5000000
 0-1 0 0.0000000
 0 0-1 0.0000000
       4
-1 0 0 0.0000000
 0-1 0 0.0000000
 0 0-1 0.0000000
       5
 1 0 0 0.5000000
 0 1 0 0.0000000
 0 0-1 0.0000000
       6
 1 0 0 0.0000000
 0-1 0 0.0000000
 0 0 1 0.0000000
       7
-1 0 0 0.5000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       8
