P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.871021 16.955757 17.390961 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32541000 Y=0.00594000 Z=0.36791000
          MULT= 8          ISPLIT= 8
      -1: X=0.67459000 Y=0.99406000 Z=0.63209000
      -1: X=0.82541000 Y=0.00594000 Z=0.13209000
      -1: X=0.17459000 Y=0.99406000 Z=0.86791000
      -1: X=0.17459000 Y=0.50594000 Z=0.86791000
      -1: X=0.82541000 Y=0.49406000 Z=0.13209000
      -1: X=0.67459000 Y=0.50594000 Z=0.63209000
      -1: X=0.32541000 Y=0.49406000 Z=0.36791000
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=0.09704000 Y=0.25000000 Z=0.16405000
          MULT= 4          ISPLIT= 8
      -2: X=0.90296000 Y=0.75000000 Z=0.83595000
      -2: X=0.59704000 Y=0.25000000 Z=0.33595000
      -2: X=0.40296000 Y=0.75000000 Z=0.66405000
Ga         NPT=  781  R0=.000050000 RMT= 2.21        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  -3: X=0.03643000 Y=0.25000000 Z=0.50693000
          MULT= 4          ISPLIT= 8
      -3: X=0.96357000 Y=0.75000000 Z=0.49307000
      -3: X=0.53643000 Y=0.25000000 Z=0.99307000
      -3: X=0.46357000 Y=0.75000000 Z=0.00693000
As         NPT=  781  R0=.000050000 RMT= 2.25        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.05637000 Y=0.04598000 Z=0.32990000
          MULT= 8          ISPLIT= 8
      -4: X=0.94363000 Y=0.95402000 Z=0.67010000
      -4: X=0.55637000 Y=0.04598000 Z=0.17010000
      -4: X=0.44363000 Y=0.95402000 Z=0.82990000
      -4: X=0.44363000 Y=0.54598000 Z=0.82990000
      -4: X=0.55637000 Y=0.45402000 Z=0.17010000
      -4: X=0.94363000 Y=0.54598000 Z=0.67010000
      -4: X=0.05637000 Y=0.45402000 Z=0.32990000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.48846000 Y=0.25000000 Z=0.54377000
          MULT= 4          ISPLIT= 8
      -5: X=0.51154000 Y=0.75000000 Z=0.45623000
      -5: X=0.98846000 Y=0.25000000 Z=0.95623000
      -5: X=0.01154000 Y=0.75000000 Z=0.04377000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.27893000 Y=0.25000000 Z=0.10087000
          MULT= 4          ISPLIT= 8
      -6: X=0.72107000 Y=0.75000000 Z=0.89913000
      -6: X=0.77893000 Y=0.25000000 Z=0.39913000
      -6: X=0.22107000 Y=0.75000000 Z=0.60087000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.21239000 Y=0.25000000 Z=0.60344000
          MULT= 4          ISPLIT= 8
      -7: X=0.78761000 Y=0.75000000 Z=0.39656000
      -7: X=0.71239000 Y=0.25000000 Z=0.89656000
      -7: X=0.28761000 Y=0.75000000 Z=0.10344000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000