P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.112604 12.952183 23.251190 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02270000 Y=0.25000000 Z=0.82620000
          MULT= 4          ISPLIT= 8
      -1: X=0.97730000 Y=0.75000000 Z=0.17380000
      -1: X=0.52270000 Y=0.25000000 Z=0.67380000
      -1: X=0.47730000 Y=0.75000000 Z=0.32620000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.36550000 Y=0.25000000 Z=0.08750000
          MULT= 4          ISPLIT= 8
      -2: X=0.63450000 Y=0.75000000 Z=0.91250000
      -2: X=0.86550000 Y=0.25000000 Z=0.41250000
      -2: X=0.13450000 Y=0.75000000 Z=0.58750000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.27100000 Y=0.25000000 Z=0.42640000
          MULT= 4          ISPLIT= 8
      -3: X=0.72900000 Y=0.75000000 Z=0.57360000
      -3: X=0.77100000 Y=0.25000000 Z=0.07360000
      -3: X=0.22900000 Y=0.75000000 Z=0.92640000
Ti         NPT=  781  R0=.000050000 RMT= 2.25        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.01900000 Y=0.25000000 Z=0.09300000
          MULT= 4          ISPLIT= 8
      -4: X=0.98100000 Y=0.75000000 Z=0.90700000
      -4: X=0.51900000 Y=0.25000000 Z=0.40700000
      -4: X=0.48100000 Y=0.75000000 Z=0.59300000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.16900000 Y=0.51400000 Z=0.34900000
          MULT= 8          ISPLIT= 8
      -5: X=0.83100000 Y=0.48600000 Z=0.65100000
      -5: X=0.66900000 Y=0.51400000 Z=0.15100000
      -5: X=0.33100000 Y=0.48600000 Z=0.84900000
      -5: X=0.33100000 Y=0.01400000 Z=0.84900000
      -5: X=0.66900000 Y=0.98600000 Z=0.15100000
      -5: X=0.83100000 Y=0.01400000 Z=0.65100000
      -5: X=0.16900000 Y=0.98600000 Z=0.34900000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.18800000 Y=0.25000000 Z=0.59700000
          MULT= 4          ISPLIT= 8
      -6: X=0.81200000 Y=0.75000000 Z=0.40300000
      -6: X=0.68800000 Y=0.25000000 Z=0.90300000
      -6: X=0.31200000 Y=0.75000000 Z=0.09700000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000