B   LATTICE,NONEQUIV.ATOMS   4  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
  9.288004  9.288004 54.994810 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.12580000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.87420000
      -1: X=0.00000000 Y=0.75000000 Z=0.37580000
      -1: X=0.50000000 Y=0.75000000 Z=0.12420000
Ca         NPT=  781  R0=.000050000 RMT= 2.28        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=0.00000000 Y=0.25000000 Z=0.29350000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.70650000
      -2: X=0.00000000 Y=0.75000000 Z=0.54350000
      -2: X=0.50000000 Y=0.75000000 Z=0.95650000
Ca         NPT=  781  R0=.000050000 RMT= 2.28        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  -3: X=0.00000000 Y=0.25000000 Z=0.78420000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.21580000
      -3: X=0.00000000 Y=0.75000000 Z=0.03420000
      -3: X=0.50000000 Y=0.75000000 Z=0.46580000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
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=0.25000000 Z=0.37500000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.75000000 Z=0.62500000
N          NPT=  781  R0=.000100000 RMT= 2.17        Z:   7.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000