H   LATTICE,NONEQUIV.ATOMS   3  178 P6122                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.730200  9.730200 30.726947 90.000000 90.000000120.000000                   
ATOM  -1: X=0.24120000 Y=0.48240000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.75880000 Y=0.24120000 Z=0.41666667
      -1: X=0.51760000 Y=0.75880000 Z=0.58333333
      -1: X=0.75880000 Y=0.51760000 Z=0.75000000
      -1: X=0.24120000 Y=0.75880000 Z=0.91666667
      -1: X=0.48240000 Y=0.24120000 Z=0.08333333
Au         NPT=  781  R0=.000005000 RMT= 1.93        Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.15400000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -2: X=0.15400000 Y=0.15400000 Z=0.16666667
      -2: X=0.00000000 Y=0.84600000 Z=0.83333333
      -2: X=0.00000000 Y=0.15400000 Z=0.33333333
      -2: X=0.84600000 Y=0.00000000 Z=0.50000000
      -2: X=0.84600000 Y=0.84600000 Z=0.66666667
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.54300000 Y=0.32400000 Z=0.49800000
          MULT=12          ISPLIT= 8
      -3: X=0.21900000 Y=0.54300000 Z=0.66466667
      -3: X=0.67600000 Y=0.45700000 Z=0.33533333
      -3: X=0.67600000 Y=0.21900000 Z=0.83133333
      -3: X=0.21900000 Y=0.67600000 Z=0.50200000
      -3: X=0.45700000 Y=0.67600000 Z=0.99800000
      -3: X=0.54300000 Y=0.21900000 Z=0.66866667
      -3: X=0.78100000 Y=0.45700000 Z=0.16466667
      -3: X=0.32400000 Y=0.54300000 Z=0.83533333
      -3: X=0.32400000 Y=0.78100000 Z=0.33133333
      -3: X=0.78100000 Y=0.32400000 Z=0.00200000
      -3: X=0.45700000 Y=0.78100000 Z=0.16866667
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000