H   LATTICE,NONEQUIV.ATOMS   7  147 P-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.324674 18.324674 14.790886 90.000000 90.000000120.000000                   
ATOM  -1: X=0.35750000 Y=0.30760000 Z=0.12130000
          MULT= 6          ISPLIT= 8
      -1: X=0.64250000 Y=0.69240000 Z=0.87870000
      -1: X=0.69240000 Y=0.04990000 Z=0.12130000
      -1: X=0.30760000 Y=0.95010000 Z=0.87870000
      -1: X=0.95010000 Y=0.64250000 Z=0.12130000
      -1: X=0.04990000 Y=0.35750000 Z=0.87870000
Tl         NPT=  781  R0=.000005000 RMT= 2.46        Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03270000 Y=0.34670000 Z=0.37140000
          MULT= 6          ISPLIT= 8
      -2: X=0.96730000 Y=0.65330000 Z=0.62860000
      -2: X=0.65330000 Y=0.68600000 Z=0.37140000
      -2: X=0.34670000 Y=0.31400000 Z=0.62860000
      -2: X=0.31400000 Y=0.96730000 Z=0.37140000
      -2: X=0.68600000 Y=0.03270000 Z=0.62860000
Tl         NPT=  781  R0=.000005000 RMT= 2.46        Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15250000 Y=0.55310000 Z=0.10420000
          MULT= 6          ISPLIT= 8
      -3: X=0.84750000 Y=0.44690000 Z=0.89580000
      -3: X=0.44690000 Y=0.59940000 Z=0.10420000
      -3: X=0.55310000 Y=0.40060000 Z=0.89580000
      -3: X=0.40060000 Y=0.84750000 Z=0.10420000
      -3: X=0.59940000 Y=0.15250000 Z=0.89580000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.59120000 Y=0.15440000 Z=0.35500000
          MULT= 6          ISPLIT= 8
      -4: X=0.40880000 Y=0.84560000 Z=0.64500000
      -4: X=0.84560000 Y=0.43680000 Z=0.35500000
      -4: X=0.15440000 Y=0.56320000 Z=0.64500000
      -4: X=0.56320000 Y=0.40880000 Z=0.35500000
      -4: X=0.43680000 Y=0.59120000 Z=0.64500000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.38150000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.61850000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33333333 Y=0.66666667 Z=0.17250000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.82750000
Si         NPT=  781  R0=.000100000 RMT= 1.36        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.33333333 Y=0.66666667 Z=0.59030000
          MULT= 2          ISPLIT= 4
      -7: X=0.66666667 Y=0.33333333 Z=0.40970000
Si         NPT=  781  R0=.000100000 RMT= 1.36        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000