P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.175601 18.059546 15.925478 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.48087000 Y=0.25000000 Z=0.58697000
          MULT= 4          ISPLIT= 8
      -1: X=0.51913000 Y=0.75000000 Z=0.41303000
      -1: X=0.98087000 Y=0.25000000 Z=0.91303000
      -1: X=0.01913000 Y=0.75000000 Z=0.08697000
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=0.33217000 Y=0.01973000 Z=0.08461000
          MULT= 8          ISPLIT= 8
      -2: X=0.66783000 Y=0.98027000 Z=0.91539000
      -2: X=0.83217000 Y=0.01973000 Z=0.41539000
      -2: X=0.16783000 Y=0.98027000 Z=0.58461000
      -2: X=0.16783000 Y=0.51973000 Z=0.58461000
      -2: X=0.83217000 Y=0.48027000 Z=0.41539000
      -2: X=0.66783000 Y=0.51973000 Z=0.91539000
      -2: X=0.33217000 Y=0.48027000 Z=0.08461000
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=0.10608000 Y=0.25000000 Z=0.31061000
          MULT= 4          ISPLIT= 8
      -3: X=0.89392000 Y=0.75000000 Z=0.68939000
      -3: X=0.60608000 Y=0.25000000 Z=0.18939000
      -3: X=0.39392000 Y=0.75000000 Z=0.81061000
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=0.07281000 Y=0.04820000 Z=0.18635000
          MULT= 8          ISPLIT= 8
      -4: X=0.92719000 Y=0.95180000 Z=0.81365000
      -4: X=0.57281000 Y=0.04820000 Z=0.31365000
      -4: X=0.42719000 Y=0.95180000 Z=0.68635000
      -4: X=0.42719000 Y=0.54820000 Z=0.68635000
      -4: X=0.57281000 Y=0.45180000 Z=0.31365000
      -4: X=0.92719000 Y=0.54820000 Z=0.81365000
      -4: X=0.07281000 Y=0.45180000 Z=0.18635000
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  -5: X=0.28742000 Y=0.25000000 Z=0.36352000
          MULT= 4          ISPLIT= 8
      -5: X=0.71258000 Y=0.75000000 Z=0.63648000
      -5: X=0.78742000 Y=0.25000000 Z=0.13648000
      -5: X=0.21258000 Y=0.75000000 Z=0.86352000
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  -6: X=0.00646000 Y=0.25000000 Z=0.53699000
          MULT= 4          ISPLIT= 8
      -6: X=0.99354000 Y=0.75000000 Z=0.46301000
      -6: X=0.50646000 Y=0.25000000 Z=0.96301000
      -6: X=0.49354000 Y=0.75000000 Z=0.03699000
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=0.23036000 Y=0.25000000 Z=0.83261000
          MULT= 4          ISPLIT= 8
      -7: X=0.76964000 Y=0.75000000 Z=0.16739000
      -7: X=0.73036000 Y=0.25000000 Z=0.66739000
      -7: X=0.26964000 Y=0.75000000 Z=0.33261000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000