R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 20.660753 20.660753 21.317430 90.000000 90.000000120.000000                   
ATOM  -1: X=0.32183000 Y=0.32183000 Z=0.32183000
          MULT= 2          ISPLIT= 4
      -1: X=0.67817000 Y=0.67817000 Z=0.67817000
Ag         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  47.00000              
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=0.00000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 1.92        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16468000 Y=0.37575000 Z=0.78114000
          MULT= 6          ISPLIT= 8
      -3: X=0.83532000 Y=0.62425000 Z=0.21886000
      -3: X=0.37575000 Y=0.78114000 Z=0.16468000
      -3: X=0.62425000 Y=0.21886000 Z=0.83532000
      -3: X=0.78114000 Y=0.16468000 Z=0.37575000
      -3: X=0.21886000 Y=0.83532000 Z=0.62425000
I          NPT=  781  R0=.000010000 RMT= 1.83        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18130000 Y=0.18860000 Z=0.93670000
          MULT= 6          ISPLIT= 8
      -4: X=0.81870000 Y=0.81140000 Z=0.06330000
      -4: X=0.18860000 Y=0.93670000 Z=0.18130000
      -4: X=0.81140000 Y=0.06330000 Z=0.81870000
      -4: X=0.93670000 Y=0.18130000 Z=0.18860000
      -4: X=0.06330000 Y=0.81870000 Z=0.81140000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.57240000 Y=0.13259000 Z=0.21430000
          MULT= 6          ISPLIT= 8
      -5: X=0.42760000 Y=0.86741000 Z=0.78570000
      -5: X=0.13259000 Y=0.21430000 Z=0.57240000
      -5: X=0.86741000 Y=0.78570000 Z=0.42760000
      -5: X=0.21430000 Y=0.57240000 Z=0.13259000
      -5: X=0.78570000 Y=0.42760000 Z=0.86741000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.41170000 Y=0.44060000 Z=0.81220000
          MULT= 6          ISPLIT= 8
      -6: X=0.58830000 Y=0.55940000 Z=0.18780000
      -6: X=0.44060000 Y=0.81220000 Z=0.41170000
      -6: X=0.55940000 Y=0.18780000 Z=0.58830000
      -6: X=0.81220000 Y=0.41170000 Z=0.44060000
      -6: X=0.18780000 Y=0.58830000 Z=0.55940000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000