H   LATTICE,NONEQUIV.ATOMS   5  157 P31m                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.356465 19.356465  9.996651 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.16500000
          MULT= 1          ISPLIT= 4
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.60090000 Y=0.00000000 Z=0.44800000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.60090000 Z=0.44800000
      -2: X=0.39910000 Y=0.39910000 Z=0.44800000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.16980000 Y=0.45560000 Z=0.92300000
          MULT= 6          ISPLIT= 8
      -3: X=0.54440000 Y=0.71420000 Z=0.92300000
      -3: X=0.45560000 Y=0.16980000 Z=0.92300000
      -3: X=0.28580000 Y=0.83020000 Z=0.92300000
      -3: X=0.83020000 Y=0.28580000 Z=0.92300000
      -3: X=0.71420000 Y=0.54440000 Z=0.92300000
Au         NPT=  781  R0=.000005000 RMT= 2.43        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  -4: X=0.33333333 Y=0.66666667 Z=0.15000000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.15000000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.24800000 Y=0.00000000 Z=0.69500000
          MULT= 3          ISPLIT= 8
      -5: X=0.00000000 Y=0.24800000 Z=0.69500000
      -5: X=0.75200000 Y=0.75200000 Z=0.69500000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000