P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.242866 13.078795 11.640713 90.000000 90.000000102.790000                   
ATOM  -1: X=0.93530000 Y=0.71310000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.06470000 Y=0.28690000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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  -2: X=0.67278000 Y=0.13980000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.32722000 Y=0.86020000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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=0.33000000 Y=0.52910000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.67000000 Y=0.47090000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.33        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23840000 Y=0.20140000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.76160000 Y=0.79860000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.33        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.23430000 Y=0.57410000 Z=0.05150000
          MULT= 4          ISPLIT= 8
      -5: X=0.76570000 Y=0.42590000 Z=0.94850000
      -5: X=0.76570000 Y=0.42590000 Z=0.55150000
      -5: X=0.23430000 Y=0.57410000 Z=0.44850000
O          NPT=  781  R0=.000100000 RMT= 1.40        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=0.31470000 Y=0.13500000 Z=0.05300000
          MULT= 4          ISPLIT= 8
      -6: X=0.68530000 Y=0.86500000 Z=0.94700000
      -6: X=0.68530000 Y=0.86500000 Z=0.55300000
      -6: X=0.31470000 Y=0.13500000 Z=0.44700000
O          NPT=  781  R0=.000100000 RMT= 1.40        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=0.04070000 Y=0.15550000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.95930000 Y=0.84450000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.40        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000