H   LATTICE,NONEQUIV.ATOMS   6  182 P6322                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.801340 11.801340 23.287095 90.000000 90.000000120.000000                   
ATOM  -1: X=0.64103000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -1: X=0.64103000 Y=0.64103000 Z=0.50000000
      -1: X=0.00000000 Y=0.35897000 Z=0.50000000
      -1: X=0.00000000 Y=0.64103000 Z=0.00000000
      -1: X=0.35897000 Y=0.00000000 Z=0.50000000
      -1: X=0.35897000 Y=0.35897000 Z=0.00000000
Ta         NPT=  781  R0=.000005000 RMT= 1.98        Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.75000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.25000000
Ta         NPT=  781  R0=.000005000 RMT= 1.98        Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.33        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.43200000 Y=0.05700000 Z=0.34460000
          MULT=12          ISPLIT= 8
      -4: X=0.37500000 Y=0.43200000 Z=0.84460000
      -4: X=0.94300000 Y=0.56800000 Z=0.15540000
      -4: X=0.94300000 Y=0.37500000 Z=0.34460000
      -4: X=0.37500000 Y=0.94300000 Z=0.65540000
      -4: X=0.56800000 Y=0.94300000 Z=0.84460000
      -4: X=0.43200000 Y=0.37500000 Z=0.15540000
      -4: X=0.62500000 Y=0.56800000 Z=0.34460000
      -4: X=0.05700000 Y=0.43200000 Z=0.65540000
      -4: X=0.05700000 Y=0.62500000 Z=0.84460000
      -4: X=0.62500000 Y=0.05700000 Z=0.15540000
      -4: X=0.56800000 Y=0.62500000 Z=0.65540000
O          NPT=  781  R0=.000100000 RMT= 1.70        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  -5: X=0.24300000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -5: X=0.24300000 Y=0.24300000 Z=0.50000000
      -5: X=0.00000000 Y=0.75700000 Z=0.50000000
      -5: X=0.00000000 Y=0.24300000 Z=0.00000000
      -5: X=0.75700000 Y=0.00000000 Z=0.50000000
      -5: X=0.75700000 Y=0.75700000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33333333 Y=0.66666667 Z=0.03370000
          MULT= 4          ISPLIT= 4
      -6: X=0.66666666 Y=0.33333333 Z=0.53370000
      -6: X=0.33333333 Y=0.66666667 Z=0.46630000
      -6: X=0.66666666 Y=0.33333333 Z=0.96630000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000