P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.474487 17.703899 17.100510 90.000000 90.000000108.230000                   
ATOM  -1: X=0.03540000 Y=0.08299000 Z=0.71539000
          MULT= 4          ISPLIT= 8
      -1: X=0.96460000 Y=0.91701000 Z=0.28461000
      -1: X=0.46460000 Y=0.41701000 Z=0.21539000
      -1: X=0.53540000 Y=0.58299000 Z=0.78461000
Ba         NPT=  781  R0=.000010000 RMT= 1.98        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=0.27648000 Y=0.40720000 Z=0.07973000
          MULT= 4          ISPLIT= 8
      -2: X=0.72352000 Y=0.59280000 Z=0.92027000
      -2: X=0.22352000 Y=0.09280000 Z=0.57973000
      -2: X=0.77648000 Y=0.90720000 Z=0.42027000
K          NPT=  781  R0=.000050000 RMT= 1.73        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36079000 Y=0.24420000 Z=0.45520000
          MULT= 4          ISPLIT= 8
      -3: X=0.63921000 Y=0.75580000 Z=0.54480000
      -3: X=0.13921000 Y=0.25580000 Z=0.95520000
      -3: X=0.86079000 Y=0.74420000 Z=0.04480000
As         NPT=  781  R0=.000050000 RMT= 1.91        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  -4: X=0.09464000 Y=0.64422000 Z=0.19426000
          MULT= 4          ISPLIT= 8
      -4: X=0.90536000 Y=0.35578000 Z=0.80574000
      -4: X=0.40536000 Y=0.85578000 Z=0.69426000
      -4: X=0.59464000 Y=0.14422000 Z=0.30574000
Se         NPT=  781  R0=.000050000 RMT= 2.13        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=0.22286000 Y=0.02379000 Z=0.01192000
          MULT= 4          ISPLIT= 8
      -5: X=0.77714000 Y=0.97621000 Z=0.98808000
      -5: X=0.27714000 Y=0.47621000 Z=0.51192000
      -5: X=0.72286000 Y=0.52379000 Z=0.48808000
Se         NPT=  781  R0=.000050000 RMT= 2.13        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  -6: X=0.12092000 Y=0.27127000 Z=0.39468000
          MULT= 4          ISPLIT= 8
      -6: X=0.87908000 Y=0.72873000 Z=0.60532000
      -6: X=0.37908000 Y=0.22873000 Z=0.89468000
      -6: X=0.62092000 Y=0.77127000 Z=0.10532000
Se         NPT=  781  R0=.000050000 RMT= 2.13        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000