B   LATTICE,NONEQUIV.ATOMS   3   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.984308 12.984308  8.122043 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10000000 Y=0.30000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.90000000 Y=0.70000000 Z=0.00000000
      -1: X=0.70000000 Y=0.10000000 Z=0.00000000
      -1: X=0.30000000 Y=0.90000000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.17        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.40000000 Y=0.20000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.60000000 Y=0.80000000 Z=0.00000000
      -2: X=0.80000000 Y=0.40000000 Z=0.00000000
      -2: X=0.20000000 Y=0.60000000 Z=0.00000000
N          NPT=  781  R0=.000100000 RMT= 1.87        Z:   7.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
N          NPT=  781  R0=.000100000 RMT= 1.87        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000