P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.031217 22.268533 22.378137 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08122000 Y=0.07600000 Z=0.13770000
          MULT= 8          ISPLIT= 8
      -1: X=0.91878000 Y=0.92400000 Z=0.86230000
      -1: X=0.58122000 Y=0.07600000 Z=0.36230000
      -1: X=0.41878000 Y=0.92400000 Z=0.63770000
      -1: X=0.41878000 Y=0.57600000 Z=0.63770000
      -1: X=0.58122000 Y=0.42400000 Z=0.36230000
      -1: X=0.91878000 Y=0.57600000 Z=0.86230000
      -1: X=0.08122000 Y=0.42400000 Z=0.13770000
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=0.09288000 Y=0.25000000 Z=0.76116000
          MULT= 4          ISPLIT= 8
      -2: X=0.90712000 Y=0.75000000 Z=0.23884000
      -2: X=0.59288000 Y=0.25000000 Z=0.73884000
      -2: X=0.40712000 Y=0.75000000 Z=0.26116000
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=0.05980000 Y=0.12570000 Z=0.46227000
          MULT= 8          ISPLIT= 8
      -3: X=0.94020000 Y=0.87430000 Z=0.53773000
      -3: X=0.55980000 Y=0.12570000 Z=0.03773000
      -3: X=0.44020000 Y=0.87430000 Z=0.96227000
      -3: X=0.44020000 Y=0.62570000 Z=0.96227000
      -3: X=0.55980000 Y=0.37430000 Z=0.03773000
      -3: X=0.94020000 Y=0.62570000 Z=0.53773000
      -3: X=0.05980000 Y=0.37430000 Z=0.46227000
Al         NPT=  781  R0=.000100000 RMT= 2.19        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=0.15867000 Y=0.55944000 Z=0.38659000
          MULT= 8          ISPLIT= 8
      -4: X=0.84133000 Y=0.44056000 Z=0.61341000
      -4: X=0.65867000 Y=0.55944000 Z=0.11341000
      -4: X=0.34133000 Y=0.44056000 Z=0.88659000
      -4: X=0.34133000 Y=0.05944000 Z=0.88659000
      -4: X=0.65867000 Y=0.94056000 Z=0.11341000
      -4: X=0.84133000 Y=0.05944000 Z=0.61341000
      -4: X=0.15867000 Y=0.94056000 Z=0.38659000
As         NPT=  781  R0=.000050000 RMT= 2.42        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.31535000 Y=0.25000000 Z=0.52835000
          MULT= 4          ISPLIT= 8
      -5: X=0.68465000 Y=0.75000000 Z=0.47165000
      -5: X=0.81535000 Y=0.25000000 Z=0.97165000
      -5: X=0.18465000 Y=0.75000000 Z=0.02835000
As         NPT=  781  R0=.000050000 RMT= 2.42        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  -6: X=0.40838000 Y=0.25000000 Z=0.17451000
          MULT= 4          ISPLIT= 8
      -6: X=0.59162000 Y=0.75000000 Z=0.82549000
      -6: X=0.90838000 Y=0.25000000 Z=0.32549000
      -6: X=0.09162000 Y=0.75000000 Z=0.67451000
As         NPT=  781  R0=.000050000 RMT= 2.42        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000