H   LATTICE,NONEQUIV.ATOMS   4  191 P6/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
  9.924842  9.924842 16.780768 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
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=0.33333333 Y=0.66666667 Z=0.29467000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.70533000
      -2: X=0.66666666 Y=0.33333333 Z=0.29467000
      -2: X=0.33333334 Y=0.66666667 Z=0.70533000
As         NPT=  781  R0=.000050000 RMT= 1.77        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.00000000 Z=0.18640000
          MULT= 6          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.81360000
      -3: X=0.50000000 Y=0.50000000 Z=0.18640000
      -3: X=0.50000000 Y=0.50000000 Z=0.81360000
      -3: X=0.00000000 Y=0.50000000 Z=0.18640000
      -3: X=0.00000000 Y=0.50000000 Z=0.81360000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.8660254 0.5000000 0.0000000
                    -0.5000000 0.8660254 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000