H   LATTICE,NONEQUIV.ATOMS   7  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.053104 22.053104 18.802775 90.000000 90.000000120.000000                   
ATOM  -1: X=0.04351000 Y=0.36195000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.95649000 Y=0.63805000 Z=0.75000000
      -1: X=0.68156000 Y=0.04351000 Z=0.75000000
      -1: X=0.31844000 Y=0.95649000 Z=0.25000000
      -1: X=0.63805000 Y=0.68156000 Z=0.25000000
      -1: X=0.36195000 Y=0.31844000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 2.19        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18450000 Y=0.04650000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.81550000 Y=0.95350000 Z=0.75000000
      -2: X=0.13800000 Y=0.18450000 Z=0.75000000
      -2: X=0.86200000 Y=0.81550000 Z=0.25000000
      -2: X=0.95350000 Y=0.13800000 Z=0.25000000
      -2: X=0.04650000 Y=0.86200000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.52770000 Y=0.13640000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.47230000 Y=0.86360000 Z=0.75000000
      -3: X=0.39130000 Y=0.52770000 Z=0.75000000
      -3: X=0.60870000 Y=0.47230000 Z=0.25000000
      -3: X=0.86360000 Y=0.39130000 Z=0.25000000
      -3: X=0.13640000 Y=0.60870000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.06420000 Y=0.37610000 Z=0.01850000
          MULT=12          ISPLIT= 8
      -4: X=0.93580000 Y=0.62390000 Z=0.98150000
      -4: X=0.68810000 Y=0.06420000 Z=0.51850000
      -4: X=0.31190000 Y=0.93580000 Z=0.48150000
      -4: X=0.62390000 Y=0.68810000 Z=0.01850000
      -4: X=0.37610000 Y=0.31190000 Z=0.98150000
      -4: X=0.93580000 Y=0.62390000 Z=0.51850000
      -4: X=0.06420000 Y=0.37610000 Z=0.48150000
      -4: X=0.31190000 Y=0.93580000 Z=0.01850000
      -4: X=0.68810000 Y=0.06420000 Z=0.98150000
      -4: X=0.37610000 Y=0.31190000 Z=0.51850000
      -4: X=0.62390000 Y=0.68810000 Z=0.48150000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.20200000 Y=0.57400000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.79800000 Y=0.42600000 Z=0.75000000
      -5: X=0.62800000 Y=0.20200000 Z=0.75000000
      -5: X=0.37200000 Y=0.79800000 Z=0.25000000
      -5: X=0.42600000 Y=0.62800000 Z=0.25000000
      -5: X=0.57400000 Y=0.37200000 Z=0.75000000
N          NPT=  781  R0=.000100000 RMT= 1.29        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.29700000 Y=0.53700000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -6: X=0.70300000 Y=0.46300000 Z=0.75000000
      -6: X=0.76000000 Y=0.29700000 Z=0.75000000
      -6: X=0.24000000 Y=0.70300000 Z=0.25000000
      -6: X=0.46300000 Y=0.76000000 Z=0.25000000
      -6: X=0.53700000 Y=0.24000000 Z=0.75000000
C          NPT=  781  R0=.000100000 RMT= 1.12        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.25000000 Y=0.41400000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -7: X=0.75000000 Y=0.58600000 Z=0.75000000
      -7: X=0.83600000 Y=0.25000000 Z=0.75000000
      -7: X=0.16400000 Y=0.75000000 Z=0.25000000
      -7: X=0.58600000 Y=0.83600000 Z=0.25000000
      -7: X=0.41400000 Y=0.16400000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.24        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000