P   LATTICE,NONEQUIV.ATOMS   8   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.127559 11.960833 12.859208 90.000000 90.000000 95.267000                   
ATOM  -1: X=0.04552000 Y=0.72973000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.95448000 Y=0.27027000 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=0.65266000 Y=0.93310000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.34734000 Y=0.06690000 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=0.91097000 Y=0.13660000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.08903000 Y=0.86340000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.45126000 Y=0.51040000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.54874000 Y=0.48960000 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=0.22140000 Y=0.17620000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.77860000 Y=0.82380000 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=0.40806000 Y=0.17180000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.59194000 Y=0.82820000 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=0.19380000 Y=0.38330000 Z=0.00358000
          MULT= 4          ISPLIT= 8
      -7: X=0.80620000 Y=0.61670000 Z=0.99642000
      -7: X=0.80620000 Y=0.61670000 Z=0.50358000
      -7: X=0.19380000 Y=0.38330000 Z=0.49642000
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=0.31390000 Y=0.64722000 Z=0.07768000
          MULT= 4          ISPLIT= 8
      -8: X=0.68610000 Y=0.35278000 Z=0.92232000
      -8: X=0.68610000 Y=0.35278000 Z=0.57768000
      -8: X=0.31390000 Y=0.64722000 Z=0.42232000
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