P   LATTICE,NONEQUIV.ATOMS   4   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.066889  8.774943 10.695661 90.000000 90.000000107.402000                   
ATOM  -1: X=0.71015000 Y=0.34550000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.28985000 Y=0.65450000 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=0.17123000 Y=0.07840000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.82877000 Y=0.92160000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.40        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  -3: X=0.31010000 Y=0.16860000 Z=0.03550000
          MULT= 4          ISPLIT= 8
      -3: X=0.68990000 Y=0.83140000 Z=0.96450000
      -3: X=0.68990000 Y=0.83140000 Z=0.53550000
      -3: X=0.31010000 Y=0.16860000 Z=0.46450000
O          NPT=  781  R0=.000100000 RMT= 1.47        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  -4: X=0.11920000 Y=0.71590000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.88080000 Y=0.28410000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.59        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000