B   LATTICE,NONEQUIV.ATOMS   3  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 10.154065 10.154065 14.013264 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.65500000 Y=0.15500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.34500000 Y=0.84500000 Z=0.00000000
      -2: X=0.84500000 Y=0.65500000 Z=0.00000000
      -2: X=0.15500000 Y=0.34500000 Z=0.00000000
C          NPT=  781  R0=.000100000 RMT= 1.49        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.14100000 Y=0.64100000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.85900000 Y=0.35900000 Z=0.00000000
      -3: X=0.35900000 Y=0.14100000 Z=0.00000000
      -3: X=0.64100000 Y=0.85900000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.42        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000