P   LATTICE,NONEQUIV.ATOMS   9    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.642268 12.113145 20.673604 90.000000 90.000000111.700000                   
ATOM  -1: X=0.40100000 Y=0.68400000 Z=0.00400000
          MULT= 2          ISPLIT= 8
      -1: X=0.59900000 Y=0.31600000 Z=0.50400000
P          NPT=  781  R0=.000100000 RMT= 1.77        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.49500000 Y=0.47000000 Z=0.13200000
          MULT= 2          ISPLIT= 8
      -2: X=0.50500000 Y=0.53000000 Z=0.63200000
P          NPT=  781  R0=.000100000 RMT= 1.77        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.42500000 Y=0.24200000 Z=0.75900000
          MULT= 2          ISPLIT= 8
      -3: X=0.57500000 Y=0.75800000 Z=0.25900000
P          NPT=  781  R0=.000100000 RMT= 1.77        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.05200000 Y=0.48000000 Z=0.23700000
          MULT= 2          ISPLIT= 8
      -4: X=0.94800000 Y=0.52000000 Z=0.73700000
P          NPT=  781  R0=.000100000 RMT= 1.77        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.08800000 Y=0.62700000 Z=0.06500000
          MULT= 2          ISPLIT= 8
      -5: X=0.91200000 Y=0.37300000 Z=0.56500000
S          NPT=  781  R0=.000100000 RMT= 1.86        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  -6: X=0.21200000 Y=0.25100000 Z=0.20900000
          MULT= 2          ISPLIT= 8
      -6: X=0.78800000 Y=0.74900000 Z=0.70900000
S          NPT=  781  R0=.000100000 RMT= 1.86        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  -7: X=0.28800000 Y=0.72200000 Z=0.34900000
          MULT= 2          ISPLIT= 8
      -7: X=0.71200000 Y=0.27800000 Z=0.84900000
S          NPT=  781  R0=.000100000 RMT= 1.86        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  -8: X=0.37800000 Y=0.03000000 Z=0.60600000
          MULT= 2          ISPLIT= 8
      -8: X=0.62200000 Y=0.97000000 Z=0.10600000
S          NPT=  781  R0=.000100000 RMT= 1.86        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  -9: X=0.19500000 Y=0.14400000 Z=0.87800000
          MULT= 2          ISPLIT= 8
      -9: X=0.80500000 Y=0.85600000 Z=0.37800000
S          NPT=  781  R0=.000100000 RMT= 1.86        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000