P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.554628 12.427784 13.033630 90.000000 90.000000 99.036000                   
ATOM  -1: X=0.32421000 Y=0.14221000 Z=0.13873000
          MULT= 4          ISPLIT= 8
      -1: X=0.67579000 Y=0.85779000 Z=0.86127000
      -1: X=0.17579000 Y=0.35779000 Z=0.63873000
      -1: X=0.82421000 Y=0.64221000 Z=0.36127000
Y          NPT=  781  R0=.000010000 RMT= 1.64        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=0.02410000 Y=0.16570000 Z=0.11840000
          MULT= 4          ISPLIT= 8
      -2: X=0.97590000 Y=0.83430000 Z=0.88160000
      -2: X=0.47590000 Y=0.33430000 Z=0.61840000
      -2: X=0.52410000 Y=0.66570000 Z=0.38160000
F          NPT=  781  R0=.000100000 RMT= 1.96        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=0.21074000 Y=0.64848000 Z=0.11844000
          MULT= 4          ISPLIT= 8
      -3: X=0.78926000 Y=0.35152000 Z=0.88156000
      -3: X=0.28926000 Y=0.85152000 Z=0.61844000
      -3: X=0.71074000 Y=0.14848000 Z=0.38156000
Se         NPT=  781  R0=.000050000 RMT= 1.65        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=0.35940000 Y=0.48880000 Z=0.18570000
          MULT= 4          ISPLIT= 8
      -4: X=0.64060000 Y=0.51120000 Z=0.81430000
      -4: X=0.14060000 Y=0.01120000 Z=0.68570000
      -4: X=0.85940000 Y=0.98880000 Z=0.31430000
O          NPT=  781  R0=.000100000 RMT= 1.42        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=0.28160000 Y=0.17840000 Z=0.80380000
          MULT= 4          ISPLIT= 8
      -5: X=0.71840000 Y=0.82160000 Z=0.19620000
      -5: X=0.21840000 Y=0.32160000 Z=0.30380000
      -5: X=0.78160000 Y=0.67840000 Z=0.69620000
O          NPT=  781  R0=.000100000 RMT= 1.42        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  -6: X=0.14970000 Y=0.17660000 Z=0.46890000
          MULT= 4          ISPLIT= 8
      -6: X=0.85030000 Y=0.82340000 Z=0.53110000
      -6: X=0.35030000 Y=0.32340000 Z=0.96890000
      -6: X=0.64970000 Y=0.67660000 Z=0.03110000
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000