R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 17.990195 17.990195 22.676714 90.000000 90.000000120.000000
ATOM  -1: X=0.56200000 Y=0.41700000 Z=0.22700000
          MULT= 6          ISPLIT=15
      -1: X=0.43800000 Y=0.58300000 Z=0.77300000
      -1: X=0.41700000 Y=0.22700000 Z=0.56200000
      -1: X=0.58300000 Y=0.77300000 Z=0.43800000
      -1: X=0.22700000 Y=0.56200000 Z=0.41700000
      -1: X=0.77300000 Y=0.43800000 Z=0.58300000
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=0.24400000 Y=0.24400000 Z=0.24400000
          MULT= 2          ISPLIT=15
      -2: X=0.75600000 Y=0.75600000 Z=0.75600000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16900000 Y=0.37101000 Z=0.70800000
          MULT= 6          ISPLIT=15
      -3: X=0.83100000 Y=0.62899000 Z=0.29200000
      -3: X=0.37101000 Y=0.70800000 Z=0.16900000
      -3: X=0.62899000 Y=0.29200000 Z=0.83100000
      -3: X=0.70800000 Y=0.16900000 Z=0.37101000
      -3: X=0.29200000 Y=0.83100000 Z=0.62899000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 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