P   LATTICE,NONEQUIV.ATOMS   3   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.821440  9.782167  8.232592 90.000000 90.000000101.555000                   
ATOM  -1: X=0.28470000 Y=0.41978000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.71530000 Y=0.58022000 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=0.02234000 Y=0.82881000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.97766000 Y=0.17119000 Z=0.75000000
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
ATOM  -3: X=0.60470000 Y=0.03910000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.39530000 Y=0.96090000 Z=0.75000000
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