P   LATTICE,NONEQUIV.ATOMS   3   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 25.669851 17.693506 27.391580 90.000000 90.000000133.061000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT= 2.50000     Z:   6.00000              
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
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.01800000 Y=0.51800000 Z=0.23400000
          MULT= 4          ISPLIT= 8
      -3: X=0.98200000 Y=0.48200000 Z=0.76600000
      -3: X=0.48200000 Y=0.98200000 Z=0.73400000
      -3: X=0.51800000 Y=0.01800000 Z=0.26600000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000