P   LATTICE,NONEQUIV.ATOMS   6   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.718192 19.862911 19.029542 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.61102000 Y=0.15585000 Z=0.08665000
          MULT= 8          ISPLIT= 8
      -1: X=0.38898000 Y=0.84415000 Z=0.91335000
      -1: X=0.11102000 Y=0.15585000 Z=0.91335000
      -1: X=0.88898000 Y=0.84415000 Z=0.08665000
      -1: X=0.38898000 Y=0.65585000 Z=0.58665000
      -1: X=0.61102000 Y=0.34415000 Z=0.41335000
      -1: X=0.88898000 Y=0.65585000 Z=0.41335000
      -1: X=0.11102000 Y=0.34415000 Z=0.58665000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.25000000 Y=0.00000000 Z=0.59481000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.40519000
      -2: X=0.75000000 Y=0.50000000 Z=0.09481000
      -2: X=0.25000000 Y=0.50000000 Z=0.90519000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.25000000 Y=0.00000000 Z=0.27043000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.00000000 Z=0.72957000
      -3: X=0.75000000 Y=0.50000000 Z=0.77043000
      -3: X=0.25000000 Y=0.50000000 Z=0.22957000
Ga         NPT=  781  R0=.000050000 RMT= 1.99        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16360000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.83640000 Y=0.75000000 Z=0.75000000
      -4: X=0.66360000 Y=0.25000000 Z=0.75000000
      -4: X=0.33640000 Y=0.75000000 Z=0.25000000
Ga         NPT=  781  R0=.000050000 RMT= 1.99        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.36120000 Y=0.35330000 Z=0.12810000
          MULT= 8          ISPLIT= 8
      -5: X=0.63880000 Y=0.64670000 Z=0.87190000
      -5: X=0.86120000 Y=0.35330000 Z=0.87190000
      -5: X=0.13880000 Y=0.64670000 Z=0.12810000
      -5: X=0.63880000 Y=0.85330000 Z=0.62810000
      -5: X=0.36120000 Y=0.14670000 Z=0.37190000
      -5: X=0.13880000 Y=0.85330000 Z=0.37190000
      -5: X=0.86120000 Y=0.14670000 Z=0.62810000
N          NPT=  781  R0=.000100000 RMT= 1.72        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.01760000 Y=0.09550000 Z=0.17060000
          MULT= 8          ISPLIT= 8
      -6: X=0.98240000 Y=0.90450000 Z=0.82940000
      -6: X=0.51760000 Y=0.09550000 Z=0.82940000
      -6: X=0.48240000 Y=0.90450000 Z=0.17060000
      -6: X=0.98240000 Y=0.59550000 Z=0.67060000
      -6: X=0.01760000 Y=0.40450000 Z=0.32940000
      -6: X=0.48240000 Y=0.59550000 Z=0.32940000
      -6: X=0.51760000 Y=0.40450000 Z=0.67060000
N          NPT=  781  R0=.000100000 RMT= 1.72        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000