P   LATTICE,NONEQUIV.ATOMS   5  104 P4nc                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.068892 20.068892 17.024543 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.39058000 Y=0.19079000 Z=0.30968000
          MULT= 8          ISPLIT= 8
      -1: X=0.80921000 Y=0.39058000 Z=0.30968000
      -1: X=0.10942000 Y=0.69079000 Z=0.80968000
      -1: X=0.60942000 Y=0.80921000 Z=0.30968000
      -1: X=0.30921000 Y=0.10942000 Z=0.80968000
      -1: X=0.19079000 Y=0.60942000 Z=0.30968000
      -1: X=0.89058000 Y=0.30921000 Z=0.80968000
      -1: X=0.69079000 Y=0.89058000 Z=0.80968000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
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=0.18200000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.68200000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.10570000 Y=0.31160000 Z=0.12600000
          MULT= 8          ISPLIT= 8
      -3: X=0.68840000 Y=0.10570000 Z=0.12600000
      -3: X=0.39430000 Y=0.81160000 Z=0.62600000
      -3: X=0.89430000 Y=0.68840000 Z=0.12600000
      -3: X=0.18840000 Y=0.39430000 Z=0.62600000
      -3: X=0.31160000 Y=0.89430000 Z=0.12600000
      -3: X=0.60570000 Y=0.18840000 Z=0.62600000
      -3: X=0.81160000 Y=0.60570000 Z=0.62600000
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  -4: X=0.00000000 Y=0.00000000 Z=0.79990000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.50000000 Z=0.29990000
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  -5: X=0.18340000 Y=0.07200000 Z=0.46840000
          MULT= 8          ISPLIT= 8
      -5: X=0.92800000 Y=0.18340000 Z=0.46840000
      -5: X=0.31660000 Y=0.57200000 Z=0.96840000
      -5: X=0.81660000 Y=0.92800000 Z=0.46840000
      -5: X=0.42800000 Y=0.31660000 Z=0.96840000
      -5: X=0.07200000 Y=0.81660000 Z=0.46840000
      -5: X=0.68340000 Y=0.42800000 Z=0.96840000
      -5: X=0.57200000 Y=0.68340000 Z=0.96840000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000