B   LATTICE,NONEQUIV.ATOMS   7   82 I-4     
MODE OF CALC=RELA unit=bohr
 20.452506 20.452506 24.415262 90.000000 90.000000 90.000000
ATOM  -1: X=0.02537000 Y=0.12243000 Z=0.42402000
          MULT= 4          ISPLIT=15
      -1: X=0.12243000 Y=0.97463000 Z=0.57598000
      -1: X=0.97463000 Y=0.87757000 Z=0.42402000
      -1: X=0.87757000 Y=0.02537000 Z=0.57598000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.46470000 Y=0.32860000 Z=0.09960000
          MULT= 4          ISPLIT=15
      -2: X=0.32860000 Y=0.53530000 Z=0.90040000
      -2: X=0.53530000 Y=0.67140000 Z=0.09960000
      -2: X=0.67140000 Y=0.46470000 Z=0.90040000
S          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.19254000 Y=0.29864000 Z=0.36849000
          MULT= 4          ISPLIT=15
      -3: X=0.29864000 Y=0.80746000 Z=0.63151000
      -3: X=0.80746000 Y=0.70136000 Z=0.36849000
      -3: X=0.70136000 Y=0.19254000 Z=0.63151000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.17550000 Y=0.42980000 Z=0.09040000
          MULT= 4          ISPLIT=15
      -4: X=0.42980000 Y=0.82450000 Z=0.90960000
      -4: X=0.82450000 Y=0.57020000 Z=0.09040000
      -4: X=0.57020000 Y=0.17550000 Z=0.90960000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   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=0.04740000 Y=0.14630000 Z=0.23690000
          MULT= 4          ISPLIT=15
      -5: X=0.14630000 Y=0.95260000 Z=0.76310000
      -5: X=0.95260000 Y=0.85370000 Z=0.23690000
      -5: X=0.85370000 Y=0.04740000 Z=0.76310000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   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  -6: X=0.37100000 Y=0.19080000 Z=0.32360000
          MULT= 4          ISPLIT=15
      -6: X=0.19080000 Y=0.62900000 Z=0.67640000
      -6: X=0.62900000 Y=0.80920000 Z=0.32360000
      -6: X=0.80920000 Y=0.37100000 Z=0.67640000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   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  -7: X=0.22980000 Y=0.11490000 Z=0.02010000
          MULT= 4          ISPLIT=15
      -7: X=0.11490000 Y=0.77020000 Z=0.97990000
      -7: X=0.77020000 Y=0.88510000 Z=0.02010000
      -7: X=0.88510000 Y=0.22980000 Z=0.97990000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000