P   LATTICE,NONEQUIV.ATOMS   8   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 26.108456 18.872695 16.375044 90.000000 90.000000 90.198000                   
ATOM  -1: X=0.17619000 Y=0.00052000 Z=0.02992000
          MULT= 4          ISPLIT= 8
      -1: X=0.82381000 Y=0.99948000 Z=0.97008000
      -1: X=0.32381000 Y=0.49948000 Z=0.52992000
      -1: X=0.67619000 Y=0.50052000 Z=0.47008000
Ba         NPT=  781  R0=.000010000 RMT= 2.23        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=0.16583000 Y=0.49025000 Z=0.05798000
          MULT= 4          ISPLIT= 8
      -2: X=0.83417000 Y=0.50975000 Z=0.94202000
      -2: X=0.33417000 Y=0.00975000 Z=0.55798000
      -2: X=0.66583000 Y=0.99025000 Z=0.44202000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00842000 Y=0.24898000 Z=0.56989000
          MULT= 4          ISPLIT= 8
      -3: X=0.99158000 Y=0.75102000 Z=0.43011000
      -3: X=0.49158000 Y=0.25102000 Z=0.06989000
      -3: X=0.50842000 Y=0.74898000 Z=0.93011000
Ba         NPT=  781  R0=.000010000 RMT= 2.23        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  -4: X=0.50190000 Y=0.21505000 Z=0.54680000
          MULT= 4          ISPLIT= 8
      -4: X=0.49810000 Y=0.78495000 Z=0.45320000
      -4: X=0.99810000 Y=0.28495000 Z=0.04680000
      -4: X=0.00190000 Y=0.71505000 Z=0.95320000
Br         NPT=  781  R0=.000050000 RMT= 2.46        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21980000 Y=0.77379000 Z=0.30890000
          MULT= 4          ISPLIT= 8
      -5: X=0.78020000 Y=0.22621000 Z=0.69110000
      -5: X=0.28020000 Y=0.72621000 Z=0.80890000
      -5: X=0.71980000 Y=0.27379000 Z=0.19110000
Br         NPT=  781  R0=.000050000 RMT= 2.46        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.40306000 Y=0.03994000 Z=0.16390000
          MULT= 4          ISPLIT= 8
      -6: X=0.59694000 Y=0.96006000 Z=0.83610000
      -6: X=0.09694000 Y=0.46006000 Z=0.66390000
      -6: X=0.90306000 Y=0.53994000 Z=0.33610000
Br         NPT=  781  R0=.000050000 RMT= 2.46        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.18803000 Y=0.21290000 Z=0.33580000
          MULT= 4          ISPLIT= 8
      -7: X=0.81197000 Y=0.78710000 Z=0.66420000
      -7: X=0.31197000 Y=0.28710000 Z=0.83580000
      -7: X=0.68803000 Y=0.71290000 Z=0.16420000
Br         NPT=  781  R0=.000050000 RMT= 2.46        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.42182000 Y=0.46140000 Z=0.17780000
          MULT= 4          ISPLIT= 8
      -8: X=0.57818000 Y=0.53860000 Z=0.82220000
      -8: X=0.07818000 Y=0.03860000 Z=0.67780000
      -8: X=0.92182000 Y=0.96140000 Z=0.32220000
Br         NPT=  781  R0=.000050000 RMT= 2.46        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000