H   LATTICE,NONEQUIV.ATOMS   8  157 P31m                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.315663 15.315663 10.955498 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.19700000
          MULT= 1          ISPLIT= 4
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.04200000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.04200000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.64300000 Y=0.00000000 Z=0.75200000
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.64300000 Z=0.75200000
      -3: X=0.35700000 Y=0.35700000 Z=0.75200000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     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  -4: X=0.31200000 Y=0.00000000 Z=0.46000000
          MULT= 3          ISPLIT= 8
      -4: X=0.00000000 Y=0.31200000 Z=0.46000000
      -4: X=0.68800000 Y=0.68800000 Z=0.46000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     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  -5: X=0.00000000 Y=0.00000000 Z=0.68700000
          MULT= 1          ISPLIT= 4
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33333333 Y=0.66666667 Z=0.54600000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.54600000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.64900000 Y=0.00000000 Z=0.25200000
          MULT= 3          ISPLIT= 8
      -7: X=0.00000000 Y=0.64900000 Z=0.25200000
      -7: X=0.35100000 Y=0.35100000 Z=0.25200000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.31200000 Y=0.00000000 Z=0.95500000
          MULT= 3          ISPLIT= 8
      -8: X=0.00000000 Y=0.31200000 Z=0.95500000
      -8: X=0.68800000 Y=0.68800000 Z=0.95500000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000