P   LATTICE,NONEQUIV.ATOMS   4   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.547447  8.562349 11.253319 90.000000 90.000000107.560000                   
ATOM  -1: X=0.68010000 Y=0.33360000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.31990000 Y=0.66640000 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=0.15300000 Y=0.07820000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.84700000 Y=0.92180000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 1.62        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29850000 Y=0.15730000 Z=0.03150000
          MULT= 4          ISPLIT= 8
      -3: X=0.70150000 Y=0.84270000 Z=0.96850000
      -3: X=0.70150000 Y=0.84270000 Z=0.53150000
      -3: X=0.29850000 Y=0.15730000 Z=0.46850000
O          NPT=  781  R0=.000100000 RMT= 1.46        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=0.09380000 Y=0.66790000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.90620000 Y=0.33210000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.63        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000