P   LATTICE,NONEQUIV.ATOMS   6   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.676618 18.995527 19.331898 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.61760000 Y=0.15620000 Z=0.08557000
          MULT= 8          ISPLIT= 8
      -1: X=0.38240000 Y=0.84380000 Z=0.91443000
      -1: X=0.11760000 Y=0.15620000 Z=0.91443000
      -1: X=0.88240000 Y=0.84380000 Z=0.08557000
      -1: X=0.38240000 Y=0.65620000 Z=0.58557000
      -1: X=0.61760000 Y=0.34380000 Z=0.41443000
      -1: X=0.88240000 Y=0.65620000 Z=0.41443000
      -1: X=0.11760000 Y=0.34380000 Z=0.58557000
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=0.59383000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.40617000
      -2: X=0.75000000 Y=0.50000000 Z=0.09383000
      -2: X=0.25000000 Y=0.50000000 Z=0.90617000
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=0.17160000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.82840000 Y=0.75000000 Z=0.75000000
      -3: X=0.67160000 Y=0.25000000 Z=0.75000000
      -3: X=0.32840000 Y=0.75000000 Z=0.25000000
Al         NPT=  781  R0=.000100000 RMT= 1.84        Z:  13.00000              
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=0.00000000 Z=0.26880000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.00000000 Z=0.73120000
      -4: X=0.75000000 Y=0.50000000 Z=0.76880000
      -4: X=0.25000000 Y=0.50000000 Z=0.23120000
Al         NPT=  781  R0=.000100000 RMT= 1.84        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.03480000 Y=0.09870000 Z=0.17300000
          MULT= 8          ISPLIT= 8
      -5: X=0.96520000 Y=0.90130000 Z=0.82700000
      -5: X=0.53480000 Y=0.09870000 Z=0.82700000
      -5: X=0.46520000 Y=0.90130000 Z=0.17300000
      -5: X=0.96520000 Y=0.59870000 Z=0.67300000
      -5: X=0.03480000 Y=0.40130000 Z=0.32700000
      -5: X=0.46520000 Y=0.59870000 Z=0.32700000
      -5: X=0.53480000 Y=0.40130000 Z=0.67300000
N          NPT=  781  R0=.000100000 RMT= 1.75        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=0.35610000 Y=0.35480000 Z=0.12920000
          MULT= 8          ISPLIT= 8
      -6: X=0.64390000 Y=0.64520000 Z=0.87080000
      -6: X=0.85610000 Y=0.35480000 Z=0.87080000
      -6: X=0.14390000 Y=0.64520000 Z=0.12920000
      -6: X=0.64390000 Y=0.85480000 Z=0.62920000
      -6: X=0.35610000 Y=0.14520000 Z=0.37080000
      -6: X=0.14390000 Y=0.85480000 Z=0.37080000
      -6: X=0.85610000 Y=0.14520000 Z=0.62920000
N          NPT=  781  R0=.000100000 RMT= 1.75        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000