P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.982514 18.651597 16.471042 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.49070000 Y=0.25000000 Z=0.58381000
          MULT= 4          ISPLIT= 8
      -1: X=0.50930000 Y=0.75000000 Z=0.41619000
      -1: X=0.99070000 Y=0.25000000 Z=0.91619000
      -1: X=0.00930000 Y=0.75000000 Z=0.08381000
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=0.33009000 Y=0.01932000 Z=0.07801000
          MULT= 8          ISPLIT= 8
      -2: X=0.66991000 Y=0.98068000 Z=0.92199000
      -2: X=0.83009000 Y=0.01932000 Z=0.42199000
      -2: X=0.16991000 Y=0.98068000 Z=0.57801000
      -2: X=0.16991000 Y=0.51932000 Z=0.57801000
      -2: X=0.83009000 Y=0.48068000 Z=0.42199000
      -2: X=0.66991000 Y=0.51932000 Z=0.92199000
      -2: X=0.33009000 Y=0.48068000 Z=0.07801000
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=0.10894000 Y=0.25000000 Z=0.31278000
          MULT= 4          ISPLIT= 8
      -3: X=0.89106000 Y=0.75000000 Z=0.68722000
      -3: X=0.60894000 Y=0.25000000 Z=0.18722000
      -3: X=0.39106000 Y=0.75000000 Z=0.81278000
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  -4: X=0.07525000 Y=0.04371000 Z=0.18682000
          MULT= 8          ISPLIT= 8
      -4: X=0.92475000 Y=0.95629000 Z=0.81318000
      -4: X=0.57525000 Y=0.04371000 Z=0.31318000
      -4: X=0.42475000 Y=0.95629000 Z=0.68682000
      -4: X=0.42475000 Y=0.54371000 Z=0.68682000
      -4: X=0.57525000 Y=0.45629000 Z=0.31318000
      -4: X=0.92475000 Y=0.54371000 Z=0.81318000
      -4: X=0.07525000 Y=0.45629000 Z=0.18682000
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=0.29369000 Y=0.25000000 Z=0.36255000
          MULT= 4          ISPLIT= 8
      -5: X=0.70631000 Y=0.75000000 Z=0.63745000
      -5: X=0.79369000 Y=0.25000000 Z=0.13745000
      -5: X=0.20631000 Y=0.75000000 Z=0.86255000
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=0.00627000 Y=0.25000000 Z=0.54088000
          MULT= 4          ISPLIT= 8
      -6: X=0.99373000 Y=0.75000000 Z=0.45912000
      -6: X=0.50627000 Y=0.25000000 Z=0.95912000
      -6: X=0.49373000 Y=0.75000000 Z=0.04088000
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=0.22946000 Y=0.25000000 Z=0.83740000
          MULT= 4          ISPLIT= 8
      -7: X=0.77054000 Y=0.75000000 Z=0.16260000
      -7: X=0.72946000 Y=0.25000000 Z=0.66260000
      -7: X=0.27054000 Y=0.75000000 Z=0.33740000
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