P   LATTICE,NONEQUIV.ATOMS   8   51 Pmma                                       
MODE OF CALC=RELA unit=bohr                                                    
 30.634161 13.043268 12.433075 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.64234000 Y=0.00000000 Z=0.12300000
          MULT= 4          ISPLIT= 8
      -1: X=0.35766000 Y=0.00000000 Z=0.87700000
      -1: X=0.14234000 Y=0.00000000 Z=0.87700000
      -1: X=0.85766000 Y=0.00000000 Z=0.12300000
Nb         NPT=  781  R0=.000010000 RMT= 2.38        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.21517000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.78483000 Z=0.00000000
      -2: X=0.50000000 Y=0.21517000 Z=0.00000000
      -2: X=0.50000000 Y=0.78483000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.38        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.50000000 Z=0.48868000
          MULT= 2          ISPLIT= 8
      -3: X=0.75000000 Y=0.50000000 Z=0.51132000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.08494000 Y=0.00000000 Z=0.21948000
          MULT= 4          ISPLIT= 8
      -4: X=0.91506000 Y=0.00000000 Z=0.78052000
      -4: X=0.58494000 Y=0.00000000 Z=0.78052000
      -4: X=0.41506000 Y=0.00000000 Z=0.21948000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.57949000 Y=0.25442000 Z=0.32160000
          MULT= 8          ISPLIT= 8
      -5: X=0.42051000 Y=0.74558000 Z=0.67840000
      -5: X=0.07949000 Y=0.25442000 Z=0.67840000
      -5: X=0.92051000 Y=0.74558000 Z=0.32160000
      -5: X=0.92051000 Y=0.25442000 Z=0.32160000
      -5: X=0.07949000 Y=0.74558000 Z=0.67840000
      -5: X=0.42051000 Y=0.25442000 Z=0.67840000
      -5: X=0.57949000 Y=0.74558000 Z=0.32160000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.08342000 Y=0.50000000 Z=0.14500000
          MULT= 4          ISPLIT= 8
      -6: X=0.91658000 Y=0.50000000 Z=0.85500000
      -6: X=0.58342000 Y=0.50000000 Z=0.85500000
      -6: X=0.41658000 Y=0.50000000 Z=0.14500000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.25000000 Y=0.00000000 Z=0.58350000
          MULT= 2          ISPLIT= 8
      -7: X=0.75000000 Y=0.00000000 Z=0.41650000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.25000000 Y=0.23539000 Z=0.01912000
          MULT= 4          ISPLIT= 8
      -8: X=0.75000000 Y=0.76461000 Z=0.98088000
      -8: X=0.75000000 Y=0.23539000 Z=0.98088000
      -8: X=0.25000000 Y=0.76461000 Z=0.01912000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000