P   LATTICE,NONEQUIV.ATOMS   5   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.526514 12.034532 22.928047 90.000000 90.000000126.766000                   
ATOM  -1: X=0.16791000 Y=0.77221000 Z=0.33881000
          MULT= 4          ISPLIT= 8
      -1: X=0.83209000 Y=0.22779000 Z=0.66119000
      -1: X=0.33209000 Y=0.72779000 Z=0.83881000
      -1: X=0.66791000 Y=0.27221000 Z=0.16119000
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=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
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=0.19617000 Y=0.06716000 Z=0.10700000
          MULT= 4          ISPLIT= 8
      -3: X=0.80383000 Y=0.93284000 Z=0.89300000
      -3: X=0.30383000 Y=0.43284000 Z=0.60700000
      -3: X=0.69617000 Y=0.56716000 Z=0.39300000
P          NPT=  781  R0=.000100000 RMT= 2.06        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  -4: X=0.03262000 Y=0.17717000 Z=0.37356000
          MULT= 4          ISPLIT= 8
      -4: X=0.96738000 Y=0.82283000 Z=0.62644000
      -4: X=0.46738000 Y=0.32283000 Z=0.87356000
      -4: X=0.53262000 Y=0.67717000 Z=0.12644000
P          NPT=  781  R0=.000100000 RMT= 2.06        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=0.15378000 Y=0.32384000 Z=0.20471000
          MULT= 4          ISPLIT= 8
      -5: X=0.84622000 Y=0.67616000 Z=0.79529000
      -5: X=0.34622000 Y=0.17616000 Z=0.70471000
      -5: X=0.65378000 Y=0.82384000 Z=0.29529000
P          NPT=  781  R0=.000100000 RMT= 2.06        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000