P   LATTICE,NONEQUIV.ATOMS   5   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.441957  8.207836 13.191989 90.000000 90.000000 95.032000                   
ATOM  -1: X=0.13640000 Y=0.03550000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.86360000 Y=0.96450000 Z=0.75000000
Y          NPT=  781  R0=.000010000 RMT= 2.14        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24400000 Y=0.53400000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.75600000 Y=0.46600000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 2.03        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=0.65220000 Y=0.81810000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.34780000 Y=0.18190000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 1.66        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  -4: X=0.47600000 Y=0.07800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.52400000 Y=0.92200000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -5: X=0.17700000 Y=0.04000000 Z=0.57300000
          MULT= 4          ISPLIT= 8
      -5: X=0.82300000 Y=0.96000000 Z=0.42700000
      -5: X=0.82300000 Y=0.96000000 Z=0.07300000
      -5: X=0.17700000 Y=0.04000000 Z=0.92700000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000