H   LATTICE,NONEQUIV.ATOMS   5  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 13.953738 13.953738 32.301089 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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=0.07610000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.92390000
      -2: X=0.66666666 Y=0.33333333 Z=0.57610000
      -2: X=0.33333334 Y=0.66666667 Z=0.42390000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.67690000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.32310000
      -3: X=0.66666666 Y=0.33333333 Z=0.17690000
      -3: X=0.33333334 Y=0.66666667 Z=0.82310000
W          NPT=  781  R0=.000005000 RMT= 2.35        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50210000 Y=0.00420000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.49790000 Y=0.99580000 Z=0.75000000
      -4: X=0.49790000 Y=0.50210000 Z=0.75000000
      -4: X=0.50210000 Y=0.49790000 Z=0.25000000
      -4: X=0.00420000 Y=0.50210000 Z=0.75000000
      -4: X=0.99580000 Y=0.49790000 Z=0.25000000
Cl         NPT=  781  R0=.000100000 RMT= 2.09        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.17640000 Y=0.35280000 Z=0.59910000
          MULT=12          ISPLIT= 8
      -5: X=0.82360000 Y=0.64720000 Z=0.40090000
      -5: X=0.82360000 Y=0.17640000 Z=0.09910000
      -5: X=0.17640000 Y=0.82360000 Z=0.90090000
      -5: X=0.35280000 Y=0.17640000 Z=0.09910000
      -5: X=0.64720000 Y=0.82360000 Z=0.90090000
      -5: X=0.64720000 Y=0.82360000 Z=0.59910000
      -5: X=0.35280000 Y=0.17640000 Z=0.40090000
      -5: X=0.82360000 Y=0.64720000 Z=0.09910000
      -5: X=0.17640000 Y=0.35280000 Z=0.90090000
      -5: X=0.17640000 Y=0.82360000 Z=0.59910000
      -5: X=0.82360000 Y=0.17640000 Z=0.40090000
Cl         NPT=  781  R0=.000100000 RMT= 2.09        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000