P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.708958 12.370147 24.044875 90.000000 90.000000123.141000                   
ATOM  -1: X=0.04290000 Y=0.32120000 Z=0.30874000
          MULT= 4          ISPLIT= 8
      -1: X=0.95710000 Y=0.67880000 Z=0.69126000
      -1: X=0.45710000 Y=0.17880000 Z=0.80874000
      -1: X=0.54290000 Y=0.82120000 Z=0.19126000
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Mg         NPT=  781  R0=.000100000 RMT= 2.42        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  -3: X=0.13370000 Y=0.64600000 Z=0.03249000
          MULT= 4          ISPLIT= 8
      -3: X=0.86630000 Y=0.35400000 Z=0.96751000
      -3: X=0.36630000 Y=0.85400000 Z=0.53249000
      -3: X=0.63370000 Y=0.14600000 Z=0.46751000
P          NPT=  781  R0=.000100000 RMT= 1.84        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  -4: X=0.27094000 Y=0.45791000 Z=0.05860000
          MULT= 4          ISPLIT= 8
      -4: X=0.72906000 Y=0.54209000 Z=0.94140000
      -4: X=0.22906000 Y=0.04209000 Z=0.55860000
      -4: X=0.77094000 Y=0.95791000 Z=0.44140000
Se         NPT=  781  R0=.000050000 RMT= 1.74        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  -5: X=0.24585000 Y=0.06760000 Z=0.41319000
          MULT= 4          ISPLIT= 8
      -5: X=0.75415000 Y=0.93240000 Z=0.58681000
      -5: X=0.25415000 Y=0.43240000 Z=0.91319000
      -5: X=0.74585000 Y=0.56760000 Z=0.08681000
Se         NPT=  781  R0=.000050000 RMT= 1.74        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  -6: X=0.07373000 Y=0.78734000 Z=0.17037000
          MULT= 4          ISPLIT= 8
      -6: X=0.92627000 Y=0.21266000 Z=0.82963000
      -6: X=0.42627000 Y=0.71266000 Z=0.67037000
      -6: X=0.57373000 Y=0.28734000 Z=0.32963000
Se         NPT=  781  R0=.000050000 RMT= 1.74        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000