P   LATTICE,NONEQUIV.ATOMS   4  127 P4/mbm  
MODE OF CALC=RELA unit=bohr
 13.715632 13.715632  7.772444 90.000000 90.000000 90.000000
ATOM  -1: X=0.18700000 Y=0.68700000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -1: X=0.81300000 Y=0.31300000 Z=0.50000000
      -1: X=0.31300000 Y=0.18700000 Z=0.50000000
      -1: X=0.68700000 Y=0.81300000 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=0.00000000 Y=0.00000000 Z=0.28800000
          MULT= 4          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.71200000
      -2: X=0.50000000 Y=0.50000000 Z=0.28800000
      -2: X=0.50000000 Y=0.50000000 Z=0.71200000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.58700000 Y=0.08700000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.41300000 Y=0.91300000 Z=0.00000000
      -3: X=0.91300000 Y=0.58700000 Z=0.00000000
      -3: X=0.08700000 Y=0.41300000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04200000 Y=0.17000000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -4: X=0.95800000 Y=0.83000000 Z=0.00000000
      -4: X=0.83000000 Y=0.04200000 Z=0.00000000
      -4: X=0.17000000 Y=0.95800000 Z=0.00000000
      -4: X=0.45800000 Y=0.67000000 Z=0.00000000
      -4: X=0.54200000 Y=0.33000000 Z=0.00000000
      -4: X=0.33000000 Y=0.45800000 Z=0.00000000
      -4: X=0.67000000 Y=0.54200000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000