P   LATTICE,NONEQUIV.ATOMS   4   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.946514  8.838249 10.667504 90.000000 90.000000107.160000                   
ATOM  -1: X=0.70725000 Y=0.34324000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.29275000 Y=0.65676000 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=0.16147000 Y=0.06726000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.83853000 Y=0.93274000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 1.67        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.11790000 Y=0.69220000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.88210000 Y=0.30780000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.32240000 Y=0.17620000 Z=0.01740000
          MULT= 4          ISPLIT= 8
      -4: X=0.67760000 Y=0.82380000 Z=0.98260000
      -4: X=0.67760000 Y=0.82380000 Z=0.51740000
      -4: X=0.32240000 Y=0.17620000 Z=0.48260000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000