P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma    
MODE OF CALC=RELA unit=bohr
 12.101617 16.927789 11.931731 90.000000 90.000000 90.000000
ATOM  -1: X=0.03717000 Y=0.25000000 Z=0.48754000
          MULT= 4          ISPLIT=15
      -1: X=0.96283000 Y=0.75000000 Z=0.51246000
      -1: X=0.53717000 Y=0.25000000 Z=0.01246000
      -1: X=0.46283000 Y=0.75000000 Z=0.98754000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.46199000 Y=0.25000000 Z=0.60447000
          MULT= 4          ISPLIT=15
      -3: X=0.53801000 Y=0.75000000 Z=0.39553000
      -3: X=0.96199000 Y=0.25000000 Z=0.89553000
      -3: X=0.03801000 Y=0.75000000 Z=0.10447000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.28227000 Y=0.05723000 Z=0.20713000
          MULT= 8          ISPLIT=15
      -4: X=0.71773000 Y=0.94277000 Z=0.79287000
      -4: X=0.78227000 Y=0.05723000 Z=0.29287000
      -4: X=0.21773000 Y=0.94277000 Z=0.70713000
      -4: X=0.21773000 Y=0.55723000 Z=0.70713000
      -4: X=0.78227000 Y=0.44277000 Z=0.29287000
      -4: X=0.71773000 Y=0.55723000 Z=0.79287000
      -4: X=0.28227000 Y=0.44277000 Z=0.20713000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000