P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.263474 17.939359 16.044909 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.47798000 Y=0.25000000 Z=0.58692000
          MULT= 4          ISPLIT= 8
      -1: X=0.52202000 Y=0.75000000 Z=0.41308000
      -1: X=0.97798000 Y=0.25000000 Z=0.91308000
      -1: X=0.02202000 Y=0.75000000 Z=0.08692000
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  -2: X=0.33184000 Y=0.01934000 Z=0.08894000
          MULT= 8          ISPLIT= 8
      -2: X=0.66816000 Y=0.98066000 Z=0.91106000
      -2: X=0.83184000 Y=0.01934000 Z=0.41106000
      -2: X=0.16816000 Y=0.98066000 Z=0.58894000
      -2: X=0.16816000 Y=0.51934000 Z=0.58894000
      -2: X=0.83184000 Y=0.48066000 Z=0.41106000
      -2: X=0.66816000 Y=0.51934000 Z=0.91106000
      -2: X=0.33184000 Y=0.48066000 Z=0.08894000
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  -3: X=0.10361000 Y=0.25000000 Z=0.31147000
          MULT= 4          ISPLIT= 8
      -3: X=0.89639000 Y=0.75000000 Z=0.68853000
      -3: X=0.60361000 Y=0.25000000 Z=0.18853000
      -3: X=0.39639000 Y=0.75000000 Z=0.81147000
Ga         NPT=  781  R0=.000050000 RMT= 2.25        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.22988000 Y=0.25000000 Z=0.83180000
          MULT= 4          ISPLIT= 8
      -4: X=0.77012000 Y=0.75000000 Z=0.16820000
      -4: X=0.72988000 Y=0.25000000 Z=0.66820000
      -4: X=0.27012000 Y=0.75000000 Z=0.33180000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.06840000 Y=0.05040000 Z=0.18250000
          MULT= 8          ISPLIT= 8
      -5: X=0.93160000 Y=0.94960000 Z=0.81750000
      -5: X=0.56840000 Y=0.05040000 Z=0.31750000
      -5: X=0.43160000 Y=0.94960000 Z=0.68250000
      -5: X=0.43160000 Y=0.55040000 Z=0.68250000
      -5: X=0.56840000 Y=0.44960000 Z=0.31750000
      -5: X=0.93160000 Y=0.55040000 Z=0.81750000
      -5: X=0.06840000 Y=0.44960000 Z=0.18250000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.28460000 Y=0.25000000 Z=0.36620000
          MULT= 4          ISPLIT= 8
      -6: X=0.71540000 Y=0.75000000 Z=0.63380000
      -6: X=0.78460000 Y=0.25000000 Z=0.13380000
      -6: X=0.21540000 Y=0.75000000 Z=0.86620000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.00490000 Y=0.25000000 Z=0.53570000
          MULT= 4          ISPLIT= 8
      -7: X=0.99510000 Y=0.75000000 Z=0.46430000
      -7: X=0.50490000 Y=0.25000000 Z=0.96430000
      -7: X=0.49510000 Y=0.75000000 Z=0.03570000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000