H   LATTICE,NONEQUIV.ATOMS   6  143 P3                                         
MODE OF CALC=RELA unit=bohr                                                    
 20.598015 20.598015  8.050233 90.000000 90.000000120.000000                   
ATOM  -1: X=0.03700000 Y=0.54600000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.45400000 Y=0.49100000 Z=0.00000000
      -1: X=0.50900000 Y=0.96300000 Z=0.00000000
S          NPT=  781  R0=.000100000 RMT= 1.36        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  -2: X=0.49200000 Y=0.13000000 Z=0.65300000
          MULT= 3          ISPLIT= 8
      -2: X=0.87000000 Y=0.36200000 Z=0.65300000
      -2: X=0.63800000 Y=0.50800000 Z=0.65300000
S          NPT=  781  R0=.000100000 RMT= 1.36        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  -3: X=0.49100000 Y=0.33200000 Z=0.66700000
          MULT= 3          ISPLIT= 8
      -3: X=0.66800000 Y=0.15900000 Z=0.66700000
      -3: X=0.84100000 Y=0.50900000 Z=0.66700000
S          NPT=  781  R0=.000100000 RMT= 1.36        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  -4: X=0.15500000 Y=0.20400000 Z=0.31900000
          MULT= 3          ISPLIT= 8
      -4: X=0.79600000 Y=0.95100000 Z=0.31900000
      -4: X=0.04900000 Y=0.84500000 Z=0.31900000
S          NPT=  781  R0=.000100000 RMT= 1.36        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=0.00900000 Y=0.17000000 Z=0.33300000
          MULT= 3          ISPLIT= 8
      -5: X=0.83000000 Y=0.83900000 Z=0.33300000
      -5: X=0.16100000 Y=0.99100000 Z=0.33300000
S          NPT=  781  R0=.000100000 RMT= 1.36        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  -6: X=0.09300000 Y=0.27500000 Z=0.01400000
          MULT= 3          ISPLIT= 8
      -6: X=0.72500000 Y=0.81800000 Z=0.01400000
      -6: X=0.18200000 Y=0.90700000 Z=0.01400000
S          NPT=  781  R0=.000100000 RMT= 1.36        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000