P   LATTICE,NONEQUIV.ATOMS   4  127 P4/mbm  
MODE OF CALC=RELA unit=bohr
 13.379261 13.379261  7.517331 90.000000 90.000000 90.000000
ATOM  -1: X=0.19000000 Y=0.69000000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -1: X=0.81000000 Y=0.31000000 Z=0.50000000
      -1: X=0.31000000 Y=0.19000000 Z=0.50000000
      -1: X=0.69000000 Y=0.81000000 Z=0.50000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.28700000
          MULT= 4          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.71300000
      -2: X=0.50000000 Y=0.50000000 Z=0.28700000
      -2: X=0.50000000 Y=0.50000000 Z=0.71300000
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=0.58600000 Y=0.08600000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.41400000 Y=0.91400000 Z=0.00000000
      -3: X=0.91400000 Y=0.58600000 Z=0.00000000
      -3: X=0.08600000 Y=0.41400000 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=0.17400000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -4: X=0.95800000 Y=0.82600000 Z=0.00000000
      -4: X=0.82600000 Y=0.04200000 Z=0.00000000
      -4: X=0.17400000 Y=0.95800000 Z=0.00000000
      -4: X=0.45800000 Y=0.67400000 Z=0.00000000
      -4: X=0.54200000 Y=0.32600000 Z=0.00000000
      -4: X=0.32600000 Y=0.45800000 Z=0.00000000
      -4: X=0.67400000 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