P   LATTICE,NONEQUIV.ATOMS   7   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.528884 23.999522 17.177611 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.37920000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.62080000
      -1: X=0.75000000 Y=0.50000000 Z=0.87920000
      -1: X=0.25000000 Y=0.50000000 Z=0.12080000
Ba         NPT=  781  R0=.000010000 RMT= 2.42        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=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Ag         NPT=  781  R0=.000010000 RMT= 2.06        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  -3: X=0.29620000 Y=0.12570000 Z=0.74000000
          MULT= 8          ISPLIT= 8
      -3: X=0.70380000 Y=0.87430000 Z=0.26000000
      -3: X=0.79620000 Y=0.12570000 Z=0.26000000
      -3: X=0.20380000 Y=0.87430000 Z=0.74000000
      -3: X=0.70380000 Y=0.62570000 Z=0.24000000
      -3: X=0.29620000 Y=0.37430000 Z=0.76000000
      -3: X=0.20380000 Y=0.62570000 Z=0.76000000
      -3: X=0.79620000 Y=0.37430000 Z=0.24000000
Ag         NPT=  781  R0=.000010000 RMT= 2.06        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  -4: X=0.07600000 Y=0.23710000 Z=0.03110000
          MULT= 8          ISPLIT= 8
      -4: X=0.92400000 Y=0.76290000 Z=0.96890000
      -4: X=0.57600000 Y=0.23710000 Z=0.96890000
      -4: X=0.42400000 Y=0.76290000 Z=0.03110000
      -4: X=0.92400000 Y=0.73710000 Z=0.53110000
      -4: X=0.07600000 Y=0.26290000 Z=0.46890000
      -4: X=0.42400000 Y=0.73710000 Z=0.46890000
      -4: X=0.57600000 Y=0.26290000 Z=0.53110000
Ag         NPT=  781  R0=.000010000 RMT= 2.06        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  -5: X=0.39140000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.60860000 Y=0.75000000 Z=0.75000000
      -5: X=0.89140000 Y=0.25000000 Z=0.75000000
      -5: X=0.10860000 Y=0.75000000 Z=0.25000000
Ag         NPT=  781  R0=.000010000 RMT= 2.06        Z:  47.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.05200000 Y=0.12600000 Z=0.59400000
          MULT= 8          ISPLIT= 8
      -6: X=0.94800000 Y=0.87400000 Z=0.40600000
      -6: X=0.55200000 Y=0.12600000 Z=0.40600000
      -6: X=0.44800000 Y=0.87400000 Z=0.59400000
      -6: X=0.94800000 Y=0.62600000 Z=0.09400000
      -6: X=0.05200000 Y=0.37400000 Z=0.90600000
      -6: X=0.44800000 Y=0.62600000 Z=0.90600000
      -6: X=0.55200000 Y=0.37400000 Z=0.09400000
O          NPT=  781  R0=.000100000 RMT= 1.77        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  -7: X=0.08600000 Y=0.10800000 Z=0.16500000
          MULT= 8          ISPLIT= 8
      -7: X=0.91400000 Y=0.89200000 Z=0.83500000
      -7: X=0.58600000 Y=0.10800000 Z=0.83500000
      -7: X=0.41400000 Y=0.89200000 Z=0.16500000
      -7: X=0.91400000 Y=0.60800000 Z=0.66500000
      -7: X=0.08600000 Y=0.39200000 Z=0.33500000
      -7: X=0.41400000 Y=0.60800000 Z=0.33500000
      -7: X=0.58600000 Y=0.39200000 Z=0.66500000
O          NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000