P   LATTICE,NONEQUIV.ATOMS   6   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.879488 17.670829  8.945964 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.29796000 Z=0.02230000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.70204000 Z=0.52230000
Ba         NPT=  781  R0=.000010000 RMT= 2.48        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=0.00000000 Y=0.51853000 Z=0.51510000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.48147000 Z=0.01510000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.86730000 Z=0.09700000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.13270000 Z=0.59700000
B          NPT=  781  R0=.000100000 RMT= 1.14        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.85610000 Z=0.39590000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.14390000 Z=0.89590000
F          NPT=  781  R0=.000100000 RMT= 1.39        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.28110000 Y=0.20120000 Z=0.53200000
          MULT= 4          ISPLIT= 8
      -5: X=0.21890000 Y=0.79880000 Z=0.03200000
      -5: X=0.71890000 Y=0.20120000 Z=0.53200000
      -5: X=0.78110000 Y=0.79880000 Z=0.03200000
F          NPT=  781  R0=.000100000 RMT= 1.39        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  -6: X=0.00000000 Y=0.00850000 Z=0.02300000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.99150000 Z=0.52300000
F          NPT=  781  R0=.000100000 RMT= 1.39        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000