R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.101806 12.101806 38.161127 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33212000 Y=0.33212000 Z=0.33212000
          MULT= 2          ISPLIT= 4
      -1: X=0.66788000 Y=0.66788000 Z=0.66788000
Mg         NPT=  781  R0=.000100000 RMT= 2.45        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.05484000 Y=0.05484000 Z=0.05484000
          MULT= 2          ISPLIT= 4
      -2: X=0.94516000 Y=0.94516000 Z=0.94516000
P          NPT=  781  R0=.000100000 RMT= 1.85        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08896000 Y=0.41203000 Z=0.75380000
          MULT= 6          ISPLIT= 8
      -3: X=0.91104000 Y=0.58797000 Z=0.24620000
      -3: X=0.41203000 Y=0.75380000 Z=0.08896000
      -3: X=0.58797000 Y=0.24620000 Z=0.91104000
      -3: X=0.75380000 Y=0.08896000 Z=0.41203000
      -3: X=0.24620000 Y=0.91104000 Z=0.58797000
Se         NPT=  781  R0=.000050000 RMT= 2.27        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000