P   LATTICE,NONEQUIV.ATOMS   8   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.393255 11.894125 12.916467 90.000000 90.000000 95.819000                   
ATOM  -1: X=0.04542000 Y=0.71279000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.95458000 Y=0.28721000 Z=0.75000000
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=0.64774000 Y=0.93309000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.35226000 Y=0.06691000 Z=0.75000000
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=0.91435000 Y=0.15399000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.08565000 Y=0.84601000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.45017000 Y=0.50709000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.54983000 Y=0.49291000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 2.01        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.22284000 Y=0.16671000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.77716000 Y=0.83329000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 2.01        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.40721000 Y=0.16597000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.59279000 Y=0.83403000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 2.01        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.19611000 Y=0.37383000 Z=0.00397000
          MULT= 4          ISPLIT= 8
      -7: X=0.80389000 Y=0.62617000 Z=0.99603000
      -7: X=0.80389000 Y=0.62617000 Z=0.50397000
      -7: X=0.19611000 Y=0.37383000 Z=0.49603000
P          NPT=  781  R0=.000100000 RMT= 2.01        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.31401000 Y=0.64247000 Z=0.07889000
          MULT= 4          ISPLIT= 8
      -8: X=0.68599000 Y=0.35753000 Z=0.92111000
      -8: X=0.68599000 Y=0.35753000 Z=0.57889000
      -8: X=0.31401000 Y=0.64247000 Z=0.42111000
P          NPT=  781  R0=.000100000 RMT= 2.01        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000