P   LATTICE,NONEQUIV.ATOMS   6   57 Pbcm    
MODE OF CALC=RELA unit=bohr
 20.352350 18.768760 12.385265 90.000000 90.000000 90.000000
ATOM  -1: X=0.61000000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.39000000 Y=0.75000000 Z=0.00000000
      -1: X=0.61000000 Y=0.25000000 Z=0.50000000
      -1: X=0.39000000 Y=0.75000000 Z=0.50000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.31200000 Y=0.12900000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -2: X=0.68800000 Y=0.87100000 Z=0.75000000
      -2: X=0.68800000 Y=0.62900000 Z=0.25000000
      -2: X=0.31200000 Y=0.37100000 Z=0.75000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.11300000 Y=0.53700000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -3: X=0.88700000 Y=0.46300000 Z=0.75000000
      -3: X=0.88700000 Y=0.03700000 Z=0.25000000
      -3: X=0.11300000 Y=0.96300000 Z=0.75000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.07400000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -4: X=0.92600000 Y=0.75000000 Z=0.00000000
      -4: X=0.07400000 Y=0.25000000 Z=0.50000000
      -4: X=0.92600000 Y=0.75000000 Z=0.50000000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   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  -5: X=0.40900000 Y=0.45700000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -5: X=0.59100000 Y=0.54300000 Z=0.75000000
      -5: X=0.59100000 Y=0.95700000 Z=0.25000000
      -5: X=0.40900000 Y=0.04300000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   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  -6: X=0.14700000 Y=0.86900000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -6: X=0.85300000 Y=0.13100000 Z=0.75000000
      -6: X=0.85300000 Y=0.36900000 Z=0.25000000
      -6: X=0.14700000 Y=0.63100000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  81.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000