H   LATTICE,NONEQUIV.ATOMS   4  152 P3121                                      
MODE OF CALC=RELA unit=bohr                                                    
  8.592585  8.592585 19.471738 90.000000 90.000000120.000000                   
ATOM  -1: X=0.46090000 Y=0.00000000 Z=0.33333333
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.46090000 Z=0.66666666
      -1: X=0.53910000 Y=0.53910000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.27        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.45657000 Y=0.00000000 Z=0.83333333
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.45657000 Z=0.16666666
      -2: X=0.54343000 Y=0.54343000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 1.65        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.40240000 Y=0.27810000 Z=0.37238000
          MULT= 6          ISPLIT= 8
      -3: X=0.72190000 Y=0.12430000 Z=0.70571333
      -3: X=0.27810000 Y=0.40240000 Z=0.62762000
      -3: X=0.87570000 Y=0.59760000 Z=0.03904667
      -3: X=0.59760000 Y=0.87570000 Z=0.96095333
      -3: X=0.12430000 Y=0.72190000 Z=0.29428667
O          NPT=  781  R0=.000100000 RMT= 1.48        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  -4: X=0.31140000 Y=0.39520000 Z=0.11160000
          MULT= 6          ISPLIT= 8
      -4: X=0.60480000 Y=0.91620000 Z=0.44493333
      -4: X=0.39520000 Y=0.31140000 Z=0.88840000
      -4: X=0.08380000 Y=0.68860000 Z=0.77826667
      -4: X=0.68860000 Y=0.08380000 Z=0.22173333
      -4: X=0.91620000 Y=0.60480000 Z=0.55506667
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000