B   LATTICE,NONEQUIV.ATOMS   7   82 I-4     
MODE OF CALC=RELA unit=bohr
 20.299438 20.299438 25.730511 90.000000 90.000000 90.000000
ATOM  -1: X=0.04400000 Y=0.12185000 Z=0.42468000
          MULT= 4          ISPLIT=15
      -1: X=0.12185000 Y=0.95600000 Z=0.57532000
      -1: X=0.95600000 Y=0.87815000 Z=0.42468000
      -1: X=0.87815000 Y=0.04400000 Z=0.57532000
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=0.43076000 Y=0.31100000 Z=0.10697000
          MULT= 4          ISPLIT=15
      -2: X=0.31100000 Y=0.56924000 Z=0.89303000
      -2: X=0.56924000 Y=0.68900000 Z=0.10697000
      -2: X=0.68900000 Y=0.43076000 Z=0.89303000
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=0.22911000 Y=0.27886000 Z=0.37066000
          MULT= 4          ISPLIT=15
      -3: X=0.27886000 Y=0.77089000 Z=0.62934000
      -3: X=0.77089000 Y=0.72114000 Z=0.37066000
      -3: X=0.72114000 Y=0.22911000 Z=0.62934000
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=0.15890000 Y=0.47760000 Z=0.09390000
          MULT= 4          ISPLIT=15
      -4: X=0.47760000 Y=0.84110000 Z=0.90610000
      -4: X=0.84110000 Y=0.52240000 Z=0.09390000
      -4: X=0.52240000 Y=0.15890000 Z=0.90610000
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=0.06700000 Y=0.14410000 Z=0.24440000
          MULT= 4          ISPLIT=15
      -5: X=0.14410000 Y=0.93300000 Z=0.75560000
      -5: X=0.93300000 Y=0.85590000 Z=0.24440000
      -5: X=0.85590000 Y=0.06700000 Z=0.75560000
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=0.40850000 Y=0.15700000 Z=0.33980000
          MULT= 4          ISPLIT=15
      -6: X=0.15700000 Y=0.59150000 Z=0.66020000
      -6: X=0.59150000 Y=0.84300000 Z=0.33980000
      -6: X=0.84300000 Y=0.40850000 Z=0.66020000
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=0.19080000 Y=0.13050000 Z=0.01260000
          MULT= 4          ISPLIT=15
      -7: X=0.13050000 Y=0.80920000 Z=0.98740000
      -7: X=0.80920000 Y=0.86950000 Z=0.01260000
      -7: X=0.86950000 Y=0.19080000 Z=0.98740000
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