H   LATTICE,NONEQUIV.ATOMS   4  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.882813 16.882813 10.837390 90.000000 90.000000120.000000                   
ATOM  -1: X=0.81400000 Y=0.18600000 Z=0.32000000
          MULT= 6          ISPLIT= 8
      -1: X=0.62800000 Y=0.81400000 Z=0.82000000
      -1: X=0.18600000 Y=0.81400000 Z=0.82000000
      -1: X=0.81400000 Y=0.62800000 Z=0.32000000
      -1: X=0.37200000 Y=0.18600000 Z=0.32000000
      -1: X=0.18600000 Y=0.37200000 Z=0.82000000
P          NPT=  781  R0=.000100000 RMT= 2.17        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  -2: X=0.33333333 Y=0.66666667 Z=0.06400000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.56400000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12400000 Y=0.87600000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.24800000 Y=0.12400000 Z=0.75000000
      -3: X=0.87600000 Y=0.12400000 Z=0.75000000
      -3: X=0.12400000 Y=0.24800000 Z=0.25000000
      -3: X=0.75200000 Y=0.87600000 Z=0.25000000
      -3: X=0.87600000 Y=0.75200000 Z=0.75000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.54400000 Y=0.45600000 Z=0.04900000
          MULT= 6          ISPLIT= 8
      -4: X=0.08800000 Y=0.54400000 Z=0.54900000
      -4: X=0.45600000 Y=0.54400000 Z=0.54900000
      -4: X=0.54400000 Y=0.08800000 Z=0.04900000
      -4: X=0.91200000 Y=0.45600000 Z=0.04900000
      -4: X=0.45600000 Y=0.91200000 Z=0.54900000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000