H   LATTICE,NONEQUIV.ATOMS   6  187 P-6m2                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.008540 14.008540  7.305114 90.000000 90.000000120.000000                   
ATOM  -1: X=0.15887000 Y=0.84113000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.68226000 Y=0.84113000 Z=0.00000000
      -1: X=0.15887000 Y=0.31774000 Z=0.00000000
N          NPT=  781  R0=.000100000 RMT= 1.95        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000 0.5000000-0.8660254
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.66666667 Y=0.33333333 Z=0.50000000
          MULT= 1          ISPLIT= 4
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16767000 Y=0.83233000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -3: X=0.66466000 Y=0.83233000 Z=0.50000000
      -3: X=0.16767000 Y=0.33534000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.68        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000 0.5000000-0.8660254
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Li         NPT=  781  R0=.000100000 RMT= 1.68        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.83427000 Y=0.16573000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -5: X=0.33146000 Y=0.16573000 Z=0.00000000
      -5: X=0.83427000 Y=0.66854000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 1.68        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000 0.5000000-0.8660254
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.44507000 Y=0.55493000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -6: X=0.10986000 Y=0.55493000 Z=0.00000000
      -6: X=0.44507000 Y=0.89014000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 1.68        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000 0.5000000-0.8660254
                    -1.0000000 0.0000000 0.0000000