R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 17.234302 17.234302 21.694054 90.000000 90.000000120.000000
ATOM  -1: X=0.56200000 Y=0.42300000 Z=0.23600000
          MULT= 6          ISPLIT=15
      -1: X=0.43800000 Y=0.57700000 Z=0.76400000
      -1: X=0.42300000 Y=0.23600000 Z=0.56200000
      -1: X=0.57700000 Y=0.76400000 Z=0.43800000
      -1: X=0.23600000 Y=0.56200000 Z=0.42300000
      -1: X=0.76400000 Y=0.43800000 Z=0.57700000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
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=0.00000000
          MULT= 1          ISPLIT=15
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24300000 Y=0.24300000 Z=0.24300000
          MULT= 2          ISPLIT=15
      -3: X=0.75700000 Y=0.75700000 Z=0.75700000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12000000 Y=0.37900000 Z=0.75300000
          MULT= 6          ISPLIT=15
      -4: X=0.88000000 Y=0.62100000 Z=0.24700000
      -4: X=0.37900000 Y=0.75300000 Z=0.12000000
      -4: X=0.62100000 Y=0.24700000 Z=0.88000000
      -4: X=0.75300000 Y=0.12000000 Z=0.37900000
      -4: X=0.24700000 Y=0.88000000 Z=0.62100000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000