H   LATTICE,NONEQUIV.ATOMS   3  185 P63cm                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.089798 14.089798 14.671834 90.000000 90.000000120.000000                   
ATOM  -1: X=0.47400000 Y=0.00000000 Z=0.27200000
          MULT= 6          ISPLIT= 8
      -1: X=0.47400000 Y=0.47400000 Z=0.77200000
      -1: X=0.00000000 Y=0.47400000 Z=0.27200000
      -1: X=0.52600000 Y=0.00000000 Z=0.77200000
      -1: X=0.52600000 Y=0.52600000 Z=0.27200000
      -1: X=0.00000000 Y=0.52600000 Z=0.77200000
W          NPT=  781  R0=.000005000 RMT= 1.81        Z:  74.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.21700000 Y=0.42600000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -2: X=0.79100000 Y=0.21700000 Z=0.75000000
      -2: X=0.42600000 Y=0.21700000 Z=0.25000000
      -2: X=0.57400000 Y=0.79100000 Z=0.25000000
      -2: X=0.20900000 Y=0.42600000 Z=0.75000000
      -2: X=0.78300000 Y=0.57400000 Z=0.75000000
      -2: X=0.78300000 Y=0.20900000 Z=0.25000000
      -2: X=0.20900000 Y=0.78300000 Z=0.25000000
      -2: X=0.57400000 Y=0.78300000 Z=0.75000000
      -2: X=0.42600000 Y=0.20900000 Z=0.75000000
      -2: X=0.79100000 Y=0.57400000 Z=0.25000000
      -2: X=0.21700000 Y=0.79100000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -3: X=0.50300000 Y=0.00000000 Z=0.00200000
          MULT= 6          ISPLIT= 8
      -3: X=0.50300000 Y=0.50300000 Z=0.50200000
      -3: X=0.00000000 Y=0.50300000 Z=0.00200000
      -3: X=0.49700000 Y=0.00000000 Z=0.50200000
      -3: X=0.49700000 Y=0.49700000 Z=0.00200000
      -3: X=0.00000000 Y=0.49700000 Z=0.50200000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000