B   LATTICE,NONEQUIV.ATOMS   7   82 I-4     
MODE OF CALC=RELA unit=bohr
 21.168712 21.168712 26.333334 90.000000 90.000000 90.000000
ATOM  -1: X=0.03350000 Y=0.11920000 Z=0.42670000
          MULT= 4          ISPLIT=15
      -1: X=0.11920000 Y=0.96650000 Z=0.57330000
      -1: X=0.96650000 Y=0.88080000 Z=0.42670000
      -1: X=0.88080000 Y=0.03350000 Z=0.57330000
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=0.44690000 Y=0.31510000 Z=0.10380000
          MULT= 4          ISPLIT=15
      -2: X=0.31510000 Y=0.55310000 Z=0.89620000
      -2: X=0.55310000 Y=0.68490000 Z=0.10380000
      -2: X=0.68490000 Y=0.44690000 Z=0.89620000
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  -3: X=0.20160000 Y=0.28270000 Z=0.37110000
          MULT= 4          ISPLIT=15
      -3: X=0.28270000 Y=0.79840000 Z=0.62890000
      -3: X=0.79840000 Y=0.71730000 Z=0.37110000
      -3: X=0.71730000 Y=0.20160000 Z=0.62890000
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=0.16200000 Y=0.44840000 Z=0.08910000
          MULT= 4          ISPLIT=15
      -4: X=0.44840000 Y=0.83800000 Z=0.91090000
      -4: X=0.83800000 Y=0.55160000 Z=0.08910000
      -4: X=0.55160000 Y=0.16200000 Z=0.91090000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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  -5: X=0.05280000 Y=0.14450000 Z=0.24010000
          MULT= 4          ISPLIT=15
      -5: X=0.14450000 Y=0.94720000 Z=0.75990000
      -5: X=0.94720000 Y=0.85550000 Z=0.24010000
      -5: X=0.85550000 Y=0.05280000 Z=0.75990000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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  -6: X=0.39010000 Y=0.16810000 Z=0.32790000
          MULT= 4          ISPLIT=15
      -6: X=0.16810000 Y=0.60990000 Z=0.67210000
      -6: X=0.60990000 Y=0.83190000 Z=0.32790000
      -6: X=0.83190000 Y=0.39010000 Z=0.67210000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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  -7: X=0.21370000 Y=0.12120000 Z=0.01880000
          MULT= 4          ISPLIT=15
      -7: X=0.12120000 Y=0.78630000 Z=0.98120000
      -7: X=0.78630000 Y=0.87880000 Z=0.01880000
      -7: X=0.87880000 Y=0.21370000 Z=0.98120000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000