B   LATTICE,NONEQUIV.ATOMS   4   87 I4/m    
MODE OF CALC=RELA unit=bohr
 16.929490 16.929490 11.436245 90.000000 90.000000 90.000000
ATOM  -1: X=0.10570000 Y=0.31890000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.89430000 Y=0.68110000 Z=0.00000000
      -1: X=0.68110000 Y=0.10570000 Z=0.00000000
      -1: X=0.31890000 Y=0.89430000 Z=0.00000000
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  -2: X=0.00000000 Y=0.00000000 Z=0.30170000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.69830000
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  -3: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20200000 Y=0.10300000 Z=0.22100000
          MULT= 8          ISPLIT=15
      -4: X=0.79800000 Y=0.89700000 Z=0.77900000
      -4: X=0.89700000 Y=0.20200000 Z=0.22100000
      -4: X=0.10300000 Y=0.79800000 Z=0.77900000
      -4: X=0.79800000 Y=0.89700000 Z=0.22100000
      -4: X=0.20200000 Y=0.10300000 Z=0.77900000
      -4: X=0.10300000 Y=0.79800000 Z=0.22100000
      -4: X=0.89700000 Y=0.20200000 Z=0.77900000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000