P   LATTICE,NONEQUIV.ATOMS   4   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.706373 18.580543 17.937658 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.31876000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.68124000 Y=0.75000000 Z=0.75000000
      -1: X=0.81876000 Y=0.25000000 Z=0.75000000
      -1: X=0.18124000 Y=0.75000000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.67831000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.32169000
      -2: X=0.75000000 Y=0.50000000 Z=0.17831000
      -2: X=0.25000000 Y=0.50000000 Z=0.82169000
Zn         NPT=  781  R0=.000050000 RMT= 2.29        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16271000 Y=0.18506000 Z=0.55167000
          MULT= 8          ISPLIT= 8
      -3: X=0.83729000 Y=0.81494000 Z=0.44833000
      -3: X=0.66271000 Y=0.18506000 Z=0.44833000
      -3: X=0.33729000 Y=0.81494000 Z=0.55167000
      -3: X=0.83729000 Y=0.68506000 Z=0.05167000
      -3: X=0.16271000 Y=0.31494000 Z=0.94833000
      -3: X=0.33729000 Y=0.68506000 Z=0.94833000
      -3: X=0.66271000 Y=0.31494000 Z=0.05167000
Cl         NPT=  781  R0=.000100000 RMT= 1.97        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00569000 Y=0.03776000 Z=0.18754000
          MULT= 8          ISPLIT= 8
      -4: X=0.99431000 Y=0.96224000 Z=0.81246000
      -4: X=0.50569000 Y=0.03776000 Z=0.81246000
      -4: X=0.49431000 Y=0.96224000 Z=0.18754000
      -4: X=0.99431000 Y=0.53776000 Z=0.68754000
      -4: X=0.00569000 Y=0.46224000 Z=0.31246000
      -4: X=0.49431000 Y=0.53776000 Z=0.31246000
      -4: X=0.50569000 Y=0.46224000 Z=0.68754000
Cl         NPT=  781  R0=.000100000 RMT= 1.97        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000