P   LATTICE,NONEQUIV.ATOMS   4   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.445736 12.126373 12.704629 90.000000 90.000000116.000000                   
ATOM  -1: X=0.07760000 Y=0.81910000 Z=0.35020000
          MULT= 4          ISPLIT= 8
      -1: X=0.92240000 Y=0.18090000 Z=0.64980000
      -1: X=0.42240000 Y=0.68090000 Z=0.85020000
      -1: X=0.57760000 Y=0.31910000 Z=0.14980000
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=0.06760000 Y=0.33000000 Z=0.12430000
          MULT= 4          ISPLIT= 8
      -2: X=0.93240000 Y=0.67000000 Z=0.87570000
      -2: X=0.43240000 Y=0.17000000 Z=0.62430000
      -2: X=0.56760000 Y=0.83000000 Z=0.37570000
Cd         NPT=  781  R0=.000010000 RMT= 2.14        Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26730000 Y=0.39840000 Z=0.38560000
          MULT= 4          ISPLIT= 8
      -3: X=0.73270000 Y=0.60160000 Z=0.61440000
      -3: X=0.23270000 Y=0.10160000 Z=0.88560000
      -3: X=0.76730000 Y=0.89840000 Z=0.11440000
O          NPT=  781  R0=.000100000 RMT= 1.48        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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000