P   LATTICE,NONEQUIV.ATOMS   3   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.235977  9.119818 12.339912 90.000000 90.000000124.191000                   
ATOM  -1: X=0.13100000 Y=0.13800000 Z=0.06300000
          MULT= 4          ISPLIT= 8
      -1: X=0.86900000 Y=0.86200000 Z=0.93700000
      -1: X=0.36900000 Y=0.36200000 Z=0.56300000
      -1: X=0.63100000 Y=0.63800000 Z=0.43700000
B          NPT=  781  R0=.000100000 RMT= 1.10        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.22900000 Y=0.05090000 Z=0.20240000
          MULT= 4          ISPLIT= 8
      -2: X=0.77100000 Y=0.94910000 Z=0.79760000
      -2: X=0.27100000 Y=0.44910000 Z=0.70240000
      -2: X=0.72900000 Y=0.55090000 Z=0.29760000
F          NPT=  781  R0=.000100000 RMT= 1.35        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24940000 Y=0.46700000 Z=0.03440000
          MULT= 4          ISPLIT= 8
      -3: X=0.75060000 Y=0.53300000 Z=0.96560000
      -3: X=0.25060000 Y=0.03300000 Z=0.53440000
      -3: X=0.74940000 Y=0.96700000 Z=0.46560000
F          NPT=  781  R0=.000100000 RMT= 1.35        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000