P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.030212 33.680589 17.085014 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25710000 Y=0.25000000 Z=0.00200000
          MULT= 4          ISPLIT= 8
      -1: X=0.74290000 Y=0.75000000 Z=0.99800000
      -1: X=0.75710000 Y=0.25000000 Z=0.49800000
      -1: X=0.24290000 Y=0.75000000 Z=0.50200000
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=0.08950000 Y=0.10560000 Z=0.33750000
          MULT= 8          ISPLIT= 8
      -2: X=0.91050000 Y=0.89440000 Z=0.66250000
      -2: X=0.58950000 Y=0.10560000 Z=0.16250000
      -2: X=0.41050000 Y=0.89440000 Z=0.83750000
      -2: X=0.41050000 Y=0.60560000 Z=0.83750000
      -2: X=0.58950000 Y=0.39440000 Z=0.16250000
      -2: X=0.91050000 Y=0.60560000 Z=0.66250000
      -2: X=0.08950000 Y=0.39440000 Z=0.33750000
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=0.07060000 Y=0.60210000 Z=0.16940000
          MULT= 8          ISPLIT= 8
      -3: X=0.92940000 Y=0.39790000 Z=0.83060000
      -3: X=0.57060000 Y=0.60210000 Z=0.33060000
      -3: X=0.42940000 Y=0.39790000 Z=0.66940000
      -3: X=0.42940000 Y=0.10210000 Z=0.66940000
      -3: X=0.57060000 Y=0.89790000 Z=0.33060000
      -3: X=0.92940000 Y=0.10210000 Z=0.83060000
      -3: X=0.07060000 Y=0.89790000 Z=0.16940000
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  -4: X=0.14520000 Y=0.25000000 Z=0.61650000
          MULT= 4          ISPLIT= 8
      -4: X=0.85480000 Y=0.75000000 Z=0.38350000
      -4: X=0.64520000 Y=0.25000000 Z=0.88350000
      -4: X=0.35480000 Y=0.75000000 Z=0.11650000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.37150000 Y=0.25000000 Z=0.39080000
          MULT= 4          ISPLIT= 8
      -5: X=0.62850000 Y=0.75000000 Z=0.60920000
      -5: X=0.87150000 Y=0.25000000 Z=0.10920000
      -5: X=0.12850000 Y=0.75000000 Z=0.89080000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.25550000 Y=0.05160000 Z=0.00720000
          MULT= 8          ISPLIT= 8
      -6: X=0.74450000 Y=0.94840000 Z=0.99280000
      -6: X=0.75550000 Y=0.05160000 Z=0.49280000
      -6: X=0.24450000 Y=0.94840000 Z=0.50720000
      -6: X=0.24450000 Y=0.55160000 Z=0.50720000
      -6: X=0.75550000 Y=0.44840000 Z=0.49280000
      -6: X=0.74450000 Y=0.55160000 Z=0.99280000
      -6: X=0.25550000 Y=0.44840000 Z=0.00720000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000