H   LATTICE,NONEQUIV.ATOMS   4  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.424193 12.424193 12.713322 90.000000 90.000000120.000000                   
ATOM  -1: X=0.34100000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.65900000 Y=0.00000000 Z=0.75000000
      -1: X=0.00000000 Y=0.34100000 Z=0.25000000
      -1: X=0.00000000 Y=0.65900000 Z=0.75000000
      -1: X=0.65900000 Y=0.65900000 Z=0.25000000
      -1: X=0.34100000 Y=0.34100000 Z=0.75000000
Y          NPT=  781  R0=.000010000 RMT= 2.12        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.38500000 Y=0.33400000 Z=0.08100000
          MULT=12          ISPLIT= 8
      -2: X=0.61500000 Y=0.66600000 Z=0.91900000
      -2: X=0.66600000 Y=0.05100000 Z=0.08100000
      -2: X=0.33400000 Y=0.94900000 Z=0.91900000
      -2: X=0.66600000 Y=0.61500000 Z=0.58100000
      -2: X=0.33400000 Y=0.38500000 Z=0.41900000
      -2: X=0.94900000 Y=0.61500000 Z=0.08100000
      -2: X=0.05100000 Y=0.38500000 Z=0.91900000
      -2: X=0.38500000 Y=0.05100000 Z=0.58100000
      -2: X=0.61500000 Y=0.94900000 Z=0.41900000
      -2: X=0.94900000 Y=0.33400000 Z=0.58100000
      -2: X=0.05100000 Y=0.66600000 Z=0.41900000
F          NPT=  781  R0=.000100000 RMT= 2.02        Z:   9.00000              
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=0.19000000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.81000000
      -3: X=0.33333333 Y=0.66666667 Z=0.69000000
      -3: X=0.66666667 Y=0.33333333 Z=0.31000000
F          NPT=  781  R0=.000100000 RMT= 2.02        Z:   9.00000              
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=0.25000000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 2.02        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000