H   LATTICE,NONEQUIV.ATOMS   6  152 P3121                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.942356 12.942356 12.880184 90.000000 90.000000120.000000                   
ATOM  -1: X=0.60600000 Y=0.00000000 Z=0.33333333
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.60600000 Z=0.66666666
      -1: X=0.39400000 Y=0.39400000 Z=0.00000000
Sr         NPT=  781  R0=.000010000 RMT= 2.40        Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.10800000 Y=0.00000000 Z=0.33333333
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.10800000 Z=0.66666666
      -2: X=0.89200000 Y=0.89200000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.29        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  -3: X=0.59800000 Y=0.00000000 Z=0.83333333
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.59800000 Z=0.16666666
      -3: X=0.40200000 Y=0.40200000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT= 1.28        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.34000000 Y=0.19700000 Z=0.37700000
          MULT= 6          ISPLIT= 8
      -4: X=0.80300000 Y=0.14300000 Z=0.71033333
      -4: X=0.19700000 Y=0.34000000 Z=0.62300000
      -4: X=0.85700000 Y=0.66000000 Z=0.04366667
      -4: X=0.66000000 Y=0.85700000 Z=0.95633333
      -4: X=0.14300000 Y=0.80300000 Z=0.28966667
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.13700000 Y=0.56400000 Z=0.02767000
          MULT= 6          ISPLIT= 8
      -5: X=0.43600000 Y=0.57300000 Z=0.36100333
      -5: X=0.56400000 Y=0.13700000 Z=0.97233000
      -5: X=0.42700000 Y=0.86300000 Z=0.69433667
      -5: X=0.86300000 Y=0.42700000 Z=0.30566333
      -5: X=0.57300000 Y=0.43600000 Z=0.63899667
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -6: X=0.05100000 Y=0.00000000 Z=0.83333333
          MULT= 3          ISPLIT= 8
      -6: X=0.00000000 Y=0.05100000 Z=0.16666666
      -6: X=0.94900000 Y=0.94900000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000