P   LATTICE,NONEQUIV.ATOMS   8   26 Pmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.676953 20.805885 16.100467 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.50000000 Y=0.53888000 Z=0.34551000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.46112000 Z=0.84551000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.50000000 Y=0.02940000 Z=0.71405000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.97060000 Z=0.21405000
Li         NPT=  781  R0=.000100000 RMT= 2.22        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.21789000 Z=0.40724000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.78211000 Z=0.90724000
Li         NPT=  781  R0=.000100000 RMT= 2.22        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.16663000 Z=0.00083000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.83337000 Z=0.50083000
Li         NPT=  781  R0=.000100000 RMT= 2.22        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00425000 Z=0.74631000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.99575000 Z=0.24631000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.39399000 Z=0.15551000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.60601000 Z=0.65551000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.50000000 Y=0.83947000 Z=0.49824000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.16053000 Z=0.99824000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.50000000 Y=0.22802000 Z=0.50324000
          MULT= 2          ISPLIT= 8
      -8: X=0.50000000 Y=0.77198000 Z=0.00324000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000