P   LATTICE,NONEQUIV.ATOMS   5   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.836359 17.599019 21.189499 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00276000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.99724000 Y=0.75000000 Z=0.00000000
      -1: X=0.00276000 Y=0.25000000 Z=0.50000000
      -1: X=0.99724000 Y=0.75000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.36        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=0.40594000 Y=0.04943000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.59406000 Y=0.95057000 Z=0.75000000
      -2: X=0.59406000 Y=0.54943000 Z=0.25000000
      -2: X=0.40594000 Y=0.45057000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 1.94        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.11840000 Y=0.20400000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.88160000 Y=0.79600000 Z=0.75000000
      -3: X=0.88160000 Y=0.70400000 Z=0.25000000
      -3: X=0.11840000 Y=0.29600000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.54270000 Y=0.18730000 Z=0.11480000
          MULT= 8          ISPLIT= 8
      -4: X=0.45730000 Y=0.81270000 Z=0.88520000
      -4: X=0.54270000 Y=0.18730000 Z=0.38520000
      -4: X=0.45730000 Y=0.81270000 Z=0.61480000
      -4: X=0.45730000 Y=0.68730000 Z=0.11480000
      -4: X=0.54270000 Y=0.31270000 Z=0.88520000
      -4: X=0.45730000 Y=0.68730000 Z=0.38520000
      -4: X=0.54270000 Y=0.31270000 Z=0.61480000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.11890000 Y=0.51440000 Z=0.61740000
          MULT= 8          ISPLIT= 8
      -5: X=0.88110000 Y=0.48560000 Z=0.38260000
      -5: X=0.11890000 Y=0.51440000 Z=0.88260000
      -5: X=0.88110000 Y=0.48560000 Z=0.11740000
      -5: X=0.88110000 Y=0.01440000 Z=0.61740000
      -5: X=0.11890000 Y=0.98560000 Z=0.38260000
      -5: X=0.88110000 Y=0.01440000 Z=0.88260000
      -5: X=0.11890000 Y=0.98560000 Z=0.11740000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000