P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.708073 21.810463 21.877359 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07881000 Y=0.07745000 Z=0.13875000
          MULT= 8          ISPLIT= 8
      -1: X=0.92119000 Y=0.92255000 Z=0.86125000
      -1: X=0.57881000 Y=0.07745000 Z=0.36125000
      -1: X=0.42119000 Y=0.92255000 Z=0.63875000
      -1: X=0.42119000 Y=0.57745000 Z=0.63875000
      -1: X=0.57881000 Y=0.42255000 Z=0.36125000
      -1: X=0.92119000 Y=0.57745000 Z=0.86125000
      -1: X=0.07881000 Y=0.42255000 Z=0.13875000
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=0.09608000 Y=0.25000000 Z=0.76562000
          MULT= 4          ISPLIT= 8
      -2: X=0.90392000 Y=0.75000000 Z=0.23438000
      -2: X=0.59608000 Y=0.25000000 Z=0.73438000
      -2: X=0.40392000 Y=0.75000000 Z=0.26562000
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  -3: X=0.05914000 Y=0.12487000 Z=0.46376000
          MULT= 8          ISPLIT= 8
      -3: X=0.94086000 Y=0.87513000 Z=0.53624000
      -3: X=0.55914000 Y=0.12487000 Z=0.03624000
      -3: X=0.44086000 Y=0.87513000 Z=0.96376000
      -3: X=0.44086000 Y=0.62487000 Z=0.96376000
      -3: X=0.55914000 Y=0.37513000 Z=0.03624000
      -3: X=0.94086000 Y=0.62487000 Z=0.53624000
      -3: X=0.05914000 Y=0.37513000 Z=0.46376000
Al         NPT=  781  R0=.000100000 RMT= 2.34        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.15367000 Y=0.55705000 Z=0.38714000
          MULT= 8          ISPLIT= 8
      -4: X=0.84633000 Y=0.44295000 Z=0.61286000
      -4: X=0.65367000 Y=0.55705000 Z=0.11286000
      -4: X=0.34633000 Y=0.44295000 Z=0.88714000
      -4: X=0.34633000 Y=0.05705000 Z=0.88714000
      -4: X=0.65367000 Y=0.94295000 Z=0.11286000
      -4: X=0.84633000 Y=0.05705000 Z=0.61286000
      -4: X=0.15367000 Y=0.94295000 Z=0.38714000
P          NPT=  781  R0=.000100000 RMT= 2.12        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.30844000 Y=0.25000000 Z=0.52815000
          MULT= 4          ISPLIT= 8
      -5: X=0.69156000 Y=0.75000000 Z=0.47185000
      -5: X=0.80844000 Y=0.25000000 Z=0.97185000
      -5: X=0.19156000 Y=0.75000000 Z=0.02815000
P          NPT=  781  R0=.000100000 RMT= 2.12        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.41013000 Y=0.25000000 Z=0.16926000
          MULT= 4          ISPLIT= 8
      -6: X=0.58987000 Y=0.75000000 Z=0.83074000
      -6: X=0.91013000 Y=0.25000000 Z=0.33074000
      -6: X=0.08987000 Y=0.75000000 Z=0.66926000
P          NPT=  781  R0=.000100000 RMT= 2.12        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000