P   LATTICE,NONEQUIV.ATOMS   3  113 P-421m                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.757584 13.757584  8.030391 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
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=0.17500000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.82500000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.18900000 Y=0.68900000 Z=0.48500000
          MULT= 4          ISPLIT= 8
      -3: X=0.68900000 Y=0.81100000 Z=0.51500000
      -3: X=0.81100000 Y=0.31100000 Z=0.48500000
      -3: X=0.31100000 Y=0.18900000 Z=0.51500000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000