P   LATTICE,NONEQUIV.ATOMS   7   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.414281 10.531444 29.339888 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25110000 Y=0.74080000 Z=0.12560000
          MULT= 8          ISPLIT= 8
      -1: X=0.74890000 Y=0.25920000 Z=0.87440000
      -1: X=0.25110000 Y=0.74080000 Z=0.37440000
      -1: X=0.74890000 Y=0.25920000 Z=0.62560000
      -1: X=0.74890000 Y=0.24080000 Z=0.12560000
      -1: X=0.25110000 Y=0.75920000 Z=0.87440000
      -1: X=0.74890000 Y=0.24080000 Z=0.37440000
      -1: X=0.25110000 Y=0.75920000 Z=0.62560000
Nb         NPT=  781  R0=.000010000 RMT= 1.94        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25850000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.74150000 Y=0.75000000 Z=0.00000000
      -2: X=0.25850000 Y=0.25000000 Z=0.50000000
      -2: X=0.74150000 Y=0.75000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.22        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.26060000 Y=0.22980000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.73940000 Y=0.77020000 Z=0.75000000
      -3: X=0.73940000 Y=0.72980000 Z=0.25000000
      -3: X=0.26060000 Y=0.27020000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.22        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.69560000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.30440000 Y=0.75000000 Z=0.00000000
      -4: X=0.69560000 Y=0.25000000 Z=0.50000000
      -4: X=0.30440000 Y=0.75000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.17960000 Y=0.76700000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.82040000 Y=0.23300000 Z=0.75000000
      -5: X=0.82040000 Y=0.26700000 Z=0.25000000
      -5: X=0.17960000 Y=0.73300000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.46190000 Y=0.45130000 Z=0.14170000
          MULT= 8          ISPLIT= 8
      -6: X=0.53810000 Y=0.54870000 Z=0.85830000
      -6: X=0.46190000 Y=0.45130000 Z=0.35830000
      -6: X=0.53810000 Y=0.54870000 Z=0.64170000
      -6: X=0.53810000 Y=0.95130000 Z=0.14170000
      -6: X=0.46190000 Y=0.04870000 Z=0.85830000
      -6: X=0.53810000 Y=0.95130000 Z=0.35830000
      -6: X=0.46190000 Y=0.04870000 Z=0.64170000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.02000000 Y=0.01630000 Z=0.10940000
          MULT= 8          ISPLIT= 8
      -7: X=0.98000000 Y=0.98370000 Z=0.89060000
      -7: X=0.02000000 Y=0.01630000 Z=0.39060000
      -7: X=0.98000000 Y=0.98370000 Z=0.60940000
      -7: X=0.98000000 Y=0.51630000 Z=0.10940000
      -7: X=0.02000000 Y=0.48370000 Z=0.89060000
      -7: X=0.98000000 Y=0.51630000 Z=0.39060000
      -7: X=0.02000000 Y=0.48370000 Z=0.60940000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000