P   LATTICE,NONEQUIV.ATOMS   4   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.573903 15.869920 12.814233 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07870000 Y=0.12610000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.92130000 Y=0.87390000 Z=0.50000000
      -1: X=0.42130000 Y=0.62610000 Z=0.50000000
      -1: X=0.57870000 Y=0.37390000 Z=0.00000000
In         NPT=  781  R0=.000010000 RMT= 2.46        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08010000 Y=0.12830000 Z=0.62000000
          MULT= 4          ISPLIT= 8
      -2: X=0.91990000 Y=0.87170000 Z=0.12000000
      -2: X=0.41990000 Y=0.62830000 Z=0.12000000
      -2: X=0.58010000 Y=0.37170000 Z=0.62000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        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=0.41580000 Y=0.12210000 Z=0.12780000
          MULT= 4          ISPLIT= 8
      -3: X=0.58420000 Y=0.87790000 Z=0.62780000
      -3: X=0.08420000 Y=0.62210000 Z=0.62780000
      -3: X=0.91580000 Y=0.37790000 Z=0.12780000
Se         NPT=  781  R0=.000050000 RMT= 2.34        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=0.41100000 Y=0.13100000 Z=0.49500000
          MULT= 4          ISPLIT= 8
      -4: X=0.58900000 Y=0.86900000 Z=0.99500000
      -4: X=0.08900000 Y=0.63100000 Z=0.99500000
      -4: X=0.91100000 Y=0.36900000 Z=0.49500000
Li         NPT=  781  R0=.000100000 RMT= 1.99        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000