P   LATTICE,NONEQUIV.ATOMS   4  126 P4/nnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 17.290994 17.290994 21.901926 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.59451000 Y=0.10982000 Z=0.06307000
          MULT=16          ISPLIT= 8
      -1: X=0.40549000 Y=0.89018000 Z=0.93693000
      -1: X=0.39018000 Y=0.59451000 Z=0.06307000
      -1: X=0.60982000 Y=0.40549000 Z=0.93693000
      -1: X=0.40549000 Y=0.60982000 Z=0.56307000
      -1: X=0.59451000 Y=0.39018000 Z=0.43693000
      -1: X=0.90549000 Y=0.39018000 Z=0.06307000
      -1: X=0.09451000 Y=0.60982000 Z=0.93693000
      -1: X=0.89018000 Y=0.40549000 Z=0.56307000
      -1: X=0.10982000 Y=0.59451000 Z=0.43693000
      -1: X=0.10982000 Y=0.90549000 Z=0.06307000
      -1: X=0.89018000 Y=0.09451000 Z=0.93693000
      -1: X=0.09451000 Y=0.89018000 Z=0.56307000
      -1: X=0.90549000 Y=0.10982000 Z=0.43693000
      -1: X=0.60982000 Y=0.09451000 Z=0.56307000
      -1: X=0.39018000 Y=0.90549000 Z=0.43693000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     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  -2: X=0.10190000 Y=0.60438000 Z=0.18757000
          MULT=16          ISPLIT= 8
      -2: X=0.89810000 Y=0.39562000 Z=0.81243000
      -2: X=0.89562000 Y=0.10190000 Z=0.18757000
      -2: X=0.10438000 Y=0.89810000 Z=0.81243000
      -2: X=0.89810000 Y=0.10438000 Z=0.68757000
      -2: X=0.10190000 Y=0.89562000 Z=0.31243000
      -2: X=0.39810000 Y=0.89562000 Z=0.18757000
      -2: X=0.60190000 Y=0.10438000 Z=0.81243000
      -2: X=0.39562000 Y=0.89810000 Z=0.68757000
      -2: X=0.60438000 Y=0.10190000 Z=0.31243000
      -2: X=0.60438000 Y=0.39810000 Z=0.18757000
      -2: X=0.39562000 Y=0.60190000 Z=0.81243000
      -2: X=0.60190000 Y=0.39562000 Z=0.68757000
      -2: X=0.39810000 Y=0.60438000 Z=0.31243000
      -2: X=0.10438000 Y=0.60190000 Z=0.68757000
      -2: X=0.89562000 Y=0.39810000 Z=0.31243000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.75000000
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  -4: X=0.25000000 Y=0.25000000 Z=0.58880000
          MULT= 4          ISPLIT=-2
      -4: X=0.75000000 Y=0.75000000 Z=0.41120000
      -4: X=0.75000000 Y=0.75000000 Z=0.08880000
      -4: X=0.25000000 Y=0.25000000 Z=0.91120000
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